data_6uhw_residue ############################ # Computer software used # ############################ 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 6uhw _Structure_validation_residue.Date_analyzed 2019-10-11 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' ' ' MET . . . . . . . . . . . . . 15.4 ptt? . . . . . 0 N--CA 1.485 1.32 0 N-CA-C 110.629 -0.137 . . . . 71.43 110.629 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 55.9 t30 -73.39 77.95 1.38 Allowed 'General case' 0 CA--C 1.532 0.269 0 CA-C-O 121.429 0.633 . . . . 75.52 110.696 176.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.495 HG23 ' HB2' ' A' ' 6' ' ' LYS . 38.2 mm -71.33 136.74 25.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.382 -0.826 . . . . 51.02 111.346 175.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.584 ' HG ' ' HD3' ' B' ' 87' ' ' PRO . 89.9 mt -90.5 -47.36 7.75 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.558 -0.746 . . . . 74.21 110.208 175.397 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 50.8 t80 -136.2 130.73 33.6 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.39 -0.368 . . . . 73.42 110.144 178.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.495 ' HB2' HG23 ' A' ' 3' ' ' ILE . 37.6 ttmt -130.02 132.49 46.25 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.939 0.4 . . . . 62.42 110.804 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 10.1 t -124.17 174.02 7.94 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.695 -0.684 . . . . 73.02 109.458 177.681 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -145.6 134.67 22.69 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-O 120.701 0.286 . . . . 64.34 110.998 -177.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -130.78 120.36 23.65 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.889 -0.596 . . . . 73.03 109.807 178.655 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.533 ' HA ' ' HA ' ' B' ' 80' ' ' THR . 13.7 t -98.31 146.85 25.26 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.953 -0.388 . . . . 73.43 109.953 -177.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 41.4 p -144.53 114.4 7.31 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.894 0.378 . . . . 74.42 111.551 -177.505 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 6.8 m -89.94 159.22 17.03 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.07 -0.514 . . . . 72.12 110.451 178.674 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -92.27 47.85 2.64 Favored Glycine 0 N--CA 1.454 -0.119 0 N-CA-C 110.985 -0.846 . . . . 62.44 110.985 174.497 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -44.04 -98.27 0.01 OUTLIER Glycine 0 C--N 1.341 0.815 0 N-CA-C 114.973 0.749 . . . . 62.02 114.973 -169.271 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.524 ' HA ' ' NE ' ' A' ' 15' ' ' ARG . 4.2 mmp_? -89.17 -54.87 3.91 Favored 'General case' 0 N--CA 1.464 0.243 0 O-C-N 122.481 -0.423 . . . . 73.04 110.085 178.852 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -123.2 -43.28 2.21 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 108.026 -1.102 . . . . 74.22 108.026 171.472 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.417 ' O ' ' HG3' ' A' ' 29' ' ' LYS . . . -164.78 164.41 36.93 Favored Glycine 0 C--N 1.338 0.671 0 N-CA-C 111.36 -0.696 . . . . 73.12 111.36 163.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.472 ' HA ' ' HA ' ' A' ' 29' ' ' LYS . 38.3 ttm180 -140.04 145.85 38.24 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 109.383 -0.599 . . . . 73.24 109.383 177.34 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.448 ' HB2' ' HB3' ' B' ' 56' ' ' ALA . . . -144.43 123.88 13.14 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.988 0.423 . . . . 71.12 110.22 178.219 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 31.9 m -138.28 111.58 8.01 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.845 -0.616 . . . . 65.23 110.598 -178.335 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.565 ' HB3' ' N ' ' A' ' 26' ' ' LEU . 29.0 t -70.58 107.81 4.05 Favored 'General case' 0 C--O 1.245 0.849 0 N-CA-C 107.138 -1.43 . . . . 62.3 107.138 173.023 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.442 ' C ' ' H ' ' A' ' 24' ' ' GLN . 0.0 OUTLIER -58.52 -21.07 51.07 Favored 'General case' 0 N--CA 1.468 0.446 0 O-C-N 125.359 1.662 . . . . 71.44 112.465 -163.785 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -80.45 16.46 1.32 Allowed 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.672 -0.492 . . . . 73.43 109.672 177.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.442 ' H ' ' C ' ' A' ' 22' ' ' HIS . 30.0 mm-40 65.29 22.05 12.05 Favored 'General case' 0 CA--C 1.521 -0.166 0 CA-C-N 115.186 -0.915 . . . . 72.53 110.292 -179.63 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.533 ' HE2' ' HA ' ' A' ' 25' ' ' LYS . 11.5 mmpt? -81.11 -22.82 38.83 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.439 -0.801 . . . . 73.44 109.9 177.154 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.565 ' N ' ' HB3' ' A' ' 21' ' ' SER . 45.9 tp -154.09 142.93 21.03 Favored 'General case' 0 C--O 1.225 -0.234 0 C-N-CA 120.625 -0.43 . . . . 74.42 110.712 177.642 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -155.88 96.8 1.77 Allowed 'General case' 0 C--N 1.327 -0.373 0 O-C-N 123.312 0.383 . . . . 74.5 110.777 174.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.401 HG22 HD11 ' A' ' 26' ' ' LEU . 2.6 m -147.75 166.15 5.44 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.226 0 CA-C-O 121.608 0.718 . . . . 62.12 111.577 176.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.472 ' HA ' ' HA ' ' A' ' 18' ' ' ARG . 10.9 ttpp -110.67 137.23 48.61 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 114.707 -1.133 . . . . 62.42 109.068 172.641 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.613 ' HB2' ' O ' ' A' ' 44' ' ' THR . 0.0 OUTLIER -123.92 177.25 5.85 Favored 'General case' 0 C--O 1.249 1.07 0 CA-C-O 120.997 0.427 . . . . 73.21 110.796 -178.493 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.491 ' HB3' ' HB3' ' A' ' 41' ' ' ALA . 34.0 p -152.84 130.24 11.36 Favored 'General case' 0 N--CA 1.446 -0.66 0 CA-C-N 115.391 -0.822 . . . . 75.34 111.338 -173.535 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.415 ' HB3' ' HB3' ' B' ' 60' ' ' SER . . . -68.59 162.64 61.15 Favored Pre-proline 0 C--N 1.326 -0.448 0 N-CA-C 109.079 -0.711 . . . . 52.21 109.079 171.517 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_exo -59.09 82.79 0.05 OUTLIER 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 121.56 1.507 . . . . 73.33 111.47 175.458 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.503 ' HG3' ' N ' ' A' ' 40' ' ' GLY . 4.0 tmt_? -56.26 -21.5 24.15 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-O 121.21 0.528 . . . . 64.52 110.109 177.667 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 36.7 mm-40 -54.31 -26.6 30.37 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.171 -0.922 . . . . 75.14 111.654 176.747 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 61.0 mt -113.21 -39.42 4.17 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.115 -0.493 . . . . 73.53 110.585 -173.501 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 172.97 65.22 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 121.155 -0.545 . . . . 72.22 112.125 178.445 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.489 ' N ' ' HA ' ' A' ' 34' ' ' ARG . . . -111.37 -132.69 6.08 Favored Glycine 0 N--CA 1.46 0.292 0 C-N-CA 120.738 -0.744 . . . . 73.44 112.578 178.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -134.6 -28.05 1.28 Allowed 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 122.521 0.329 . . . . 63.22 111.178 179.57 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.503 ' N ' ' HG3' ' A' ' 34' ' ' ARG . . . 107.34 96.2 2.44 Favored Glycine 0 C--N 1.336 0.538 0 C-N-CA 120.858 -0.687 . . . . 45.53 113.325 176.79 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.491 ' HB3' ' HB3' ' A' ' 31' ' ' SER . . . -164.62 161.27 20.84 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.698 -0.482 . . . . 51.12 109.698 174.351 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -103.43 66.12 0.87 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.36 0.6 . . . . 71.23 110.452 -178.354 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.448 ' HA3' ' HA ' ' A' ' 30' ' ' LEU . . . -120.15 -152.37 8.95 Favored Glycine 0 N--CA 1.452 -0.274 0 CA-C-N 115.974 -0.557 . . . . 55.55 112.598 -177.632 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.613 ' O ' ' HB2' ' A' ' 30' ' ' LEU . 62.3 m -98.62 140.77 32.34 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 122.562 0.345 . . . . 74.01 110.422 -177.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 19.2 m120 -80.39 131.62 61.32 Favored Pre-proline 0 C--N 1.325 -0.49 0 N-CA-C 110.653 -0.128 . . . . 72.33 110.653 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.816 ' HB3' ' SG ' ' B' ' 57' ' ' CYS . 90.7 Cg_exo -47.62 -45.65 22.98 Favored 'Trans proline' 0 C--N 1.351 0.671 0 C-N-CA 123.605 2.87 . . . . 63.04 112.705 178.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.535 ' HG2' HD11 ' A' ' 95' ' ' LEU . 3.7 mp0 -56.29 -50.74 70.53 Favored 'General case' 0 C--O 1.238 0.466 0 CA-C-N 115.458 -0.792 . . . . 62.13 109.78 -178.531 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -65.7 -38.44 89.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 114.844 -1.071 . . . . 74.41 110.122 -178.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.475 HD13 ' HA3' ' B' ' 53' ' ' GLY . 1.9 tm? -60.25 -51.42 69.64 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.226 -0.443 . . . . 71.11 109.884 -177.04 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 55.8 t80 -62.54 -47.82 82.2 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.153 -0.476 . . . . 65.21 110.44 178.082 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.461 ' HB2' ' HB1' ' A' ' 81' ' ' ALA . . . -55.03 -53.25 58.19 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 116.321 -0.4 . . . . 52.03 111.756 -179.314 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.51 -47.07 77.23 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.214 -0.448 . . . . 73.32 110.672 -178.207 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -58.57 -38.45 91.33 Favored Glycine 0 C--O 1.227 -0.288 0 CA-C-N 115.857 -0.61 . . . . 45.35 111.89 177.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -68.3 -42.09 79.95 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 122.595 0.358 . . . . 74.55 110.139 178.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.411 ' OG ' ' HB3' ' A' ' 81' ' ' ALA . 50.8 m -61.74 -52.27 64.94 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-O 121.123 0.487 . . . . 73.1 110.208 178.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.465 ' HB2' HD23 ' B' ' 30' ' ' LEU . . . -60.79 -42.51 97.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.771 -0.65 . . . . 72.41 110.582 177.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 50.8 t -61.97 -36.5 81.63 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.048 -0.523 . . . . 74.4 110.257 178.426 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 21.9 t80 -66.91 -34.87 78.72 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 109.697 -0.483 . . . . 74.24 109.697 -179.376 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.445 HD23 HG22 ' A' ' 79' ' ' VAL . 96.0 mt -70.78 -34.85 72.23 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 115.964 -0.562 . . . . 74.12 110.594 176.695 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 33.2 t -68.71 -44.61 73.55 Favored 'General case' 0 C--O 1.236 0.362 0 N-CA-C 109.523 -0.547 . . . . 74.4 109.523 175.658 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.421 ' O ' HG21 ' A' ' 65' ' ' VAL . . . -60.08 -50.43 73.73 Favored 'General case' 0 C--O 1.223 -0.324 0 CA-C-N 115.622 -0.717 . . . . 64.15 110.169 178.093 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.94 -32.09 69.29 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 116.233 -0.439 . . . . 61.32 110.968 177.64 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.622 ' HB2' ' HZ1' ' A' ' 63' ' ' LYS . 4.4 ttmp? -65.0 -49.4 70.39 Favored 'General case' 0 C--O 1.235 0.322 0 N-CA-C 109.814 -0.439 . . . . 62.32 109.814 177.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 84.4 t80 -64.31 -43.84 93.43 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 115.812 -0.631 . . . . 70.35 110.729 178.287 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.421 HG21 ' O ' ' A' ' 61' ' ' ALA . 54.3 t -54.7 -49.71 65.97 Favored 'Isoleucine or valine' 0 C--O 1.235 0.298 0 CA-C-N 116.138 -0.483 . . . . 51.41 110.167 177.567 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.459 ' HA ' ' HG3' ' A' ' 71' ' ' GLN . . . -56.29 -32.78 64.9 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.962 -0.563 . . . . 55.45 109.881 176.472 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -71.91 -29.45 67.1 Favored Glycine 0 CA--C 1.518 0.234 0 CA-C-N 115.219 -0.9 . . . . 65.01 112.585 -177.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -99.05 -9.54 23.77 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 121.282 0.563 . . . . 73.33 109.858 -179.491 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 24.1 m-80 -103.2 3.02 35.2 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.357 -0.838 . . . . 73.35 110.113 175.424 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.435 ' N ' ' HD3' ' A' ' 70' ' ' LYS . 17.7 mmtp 64.6 19.64 11.88 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 114.868 -1.06 . . . . 70.5 111.422 171.082 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.459 ' HG3' ' HA ' ' A' ' 66' ' ' ALA . 4.0 pt20 -110.68 168.44 9.47 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.11 -0.95 . . . . 65.11 110.063 -179.213 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 3.6 p -127.93 138.05 52.5 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.346 -0.388 . . . . 71.13 110.43 178.14 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 94.7 mt -109.12 143.42 27.62 Favored Pre-proline 0 CA--C 1.533 0.323 0 CA-C-N 116.086 -0.507 . . . . 64.52 110.01 -178.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . 0.446 ' HB2' ' HG2' ' A' ' 104' ' ' PRO . 31.5 Cg_exo -59.69 131.66 41.29 Favored 'Trans proline' 0 C--N 1.352 0.711 0 C-N-CA 123.048 2.498 . . . . 75.32 112.564 -178.222 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -77.28 0.38 22.3 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 112.054 0.39 . . . . 74.43 112.054 -177.749 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -90.96 1.29 57.16 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.21 0.529 . . . . 72.44 111.172 -178.622 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.411 ' HB ' HD11 ' A' ' 103' ' ' LEU . 9.9 t -74.21 152.55 39.75 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.732 -0.667 . . . . 74.0 112.092 -173.803 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 14.4 m -146.77 149.32 33.15 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 115.577 -0.738 . . . . 72.13 110.164 179.505 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.445 HG22 HD23 ' A' ' 59' ' ' LEU . 69.8 t -126.55 121.65 59.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 N-CA-C 109.564 -0.532 . . . . 73.54 109.564 175.122 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 18.4 m -104.79 111.81 24.69 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.946 0.403 . . . . 61.0 110.626 -178.289 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.461 ' HB1' ' HB2' ' A' ' 51' ' ' ALA . . . -96.37 108.81 21.38 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.913 -0.585 . . . . 75.0 110.07 -179.055 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.422 ' HA ' ' HA ' ' B' ' 8' ' ' ALA . 41.7 tt0 -105.47 107.86 19.07 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.171 -0.468 . . . . 75.53 109.998 -177.351 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.459 HG11 ' HB ' ' A' ' 97' ' ' VAL . 24.7 m -104.85 137.67 33.06 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.329 0 CA-C-O 121.079 0.466 . . . . 74.25 111.642 -174.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -133.85 154.38 21.3 Favored Glycine 0 N--CA 1.444 -0.815 0 N-CA-C 110.78 -0.928 . . . . 64.22 110.78 174.342 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.417 ' CG2' ' HB3' ' B' ' 5' ' ' TYR . 0.0 OUTLIER -137.37 132.54 45.85 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 N-CA-C 109.603 -0.517 . . . . 71.32 109.603 -179.826 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -150.74 169.55 30.56 Favored Glycine 0 CA--C 1.517 0.195 0 CA-C-N 115.635 -0.711 . . . . 64.2 111.496 178.203 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . 0.647 ' HD3' ' HG ' ' B' ' 4' ' ' LEU . 3.4 Cg_exo -78.97 120.16 4.55 Favored 'Trans proline' 0 N--CA 1.46 -0.498 0 C-N-CA 122.757 2.305 . . . . 75.13 111.181 -178.403 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . 0.461 ' HB3' ' HB2' ' A' ' 94' ' ' ALA . 32.7 p30 -84.87 168.92 14.62 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.997 0.427 . . . . 63.43 111.131 -177.617 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -55.74 -27.74 52.2 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 115.346 -0.843 . . . . 74.31 111.131 178.407 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -69.34 -27.42 65.33 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 116.05 -0.523 . . . . 62.35 110.832 -177.374 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.12 15.84 20.56 Favored Glycine 0 C--O 1.233 0.078 0 C-N-CA 121.125 -0.56 . . . . 52.42 112.298 179.197 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -121.92 -165.39 12.52 Favored Glycine 0 N--CA 1.452 -0.278 0 N-CA-C 111.254 -0.739 . . . . 74.12 111.254 176.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 41.4 m-85 -98.05 129.38 44.9 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.905 0.383 . . . . 72.25 110.07 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . 0.461 ' HB2' ' HB3' ' A' ' 88' ' ' ASN . . . -116.95 134.38 54.83 Favored 'General case' 0 C--O 1.238 0.496 0 CA-C-N 115.827 -0.624 . . . . 73.43 110.252 -178.435 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.535 HD11 ' HG2' ' A' ' 47' ' ' GLU . 4.4 mm? -100.95 120.36 40.06 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.572 -0.74 . . . . 75.45 110.685 -179.335 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -110.03 110.34 21.22 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 108.406 -0.961 . . . . 62.1 108.406 175.314 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.459 ' HB ' HG11 ' A' ' 83' ' ' VAL . 2.1 p -119.97 111.95 34.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 121.47 0.652 . . . . 41.42 111.648 -175.743 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.453 ' HA ' ' HB2' ' A' ' 135' ' ' ARG . 51.0 mt-10 -84.99 105.97 16.14 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.333 -0.849 . . . . 52.25 109.205 176.462 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 23.9 tp -93.65 109.47 21.11 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.562 -0.533 . . . . 73.33 109.562 -177.561 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . 0.583 ' HA ' ' O ' ' A' ' 137' ' ' VAL . 49.6 mtt-85 -99.46 116.72 32.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.034 -0.53 . . . . 73.43 110.726 -173.335 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 41.9 t -103.72 99.77 9.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 115.938 -0.573 . . . . 72.23 110.339 -176.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -99.12 101.66 13.08 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-O 120.876 0.369 . . . . 73.1 110.411 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.751 HD23 HD22 ' A' ' 106' ' ' LEU . 32.7 tp -115.71 117.46 40.04 Favored Pre-proline 0 C--N 1.328 -0.368 0 N-CA-C 109.3 -0.63 . . . . 73.31 109.3 179.131 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . 0.519 ' HD2' HD11 ' A' ' 103' ' ' LEU . 57.4 Cg_endo -71.79 150.7 56.39 Favored 'Trans proline' 0 C--O 1.235 0.327 0 C-N-CA 122.764 2.309 . . . . 73.52 112.075 -177.303 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 73.56 15.13 79.28 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.688 -0.767 . . . . 54.45 111.94 -177.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.751 HD22 HD23 ' A' ' 103' ' ' LEU . 41.8 tp -129.9 143.04 50.6 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 122.706 0.402 . . . . 65.03 110.919 -176.798 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -81.06 165.54 21.56 Favored 'General case' 0 CA--C 1.511 -0.522 0 CA-C-N 116.08 -0.509 . . . . 72.42 110.835 177.474 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . 0.454 ' O ' ' HG3' ' A' ' 112' ' ' LYS . . . -68.77 -46.47 68.69 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.723 -0.671 . . . . 74.35 109.763 168.463 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -59.41 -41.5 89.64 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-N 115.251 -0.886 . . . . 64.13 111.019 -176.609 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . 0.549 ' O ' HG21 ' A' ' 113' ' ' THR . . . -76.64 -43.44 38.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.135 -0.484 . . . . 73.25 109.986 177.691 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -54.53 -34.9 62.57 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 116.054 -0.521 . . . . 54.13 111.369 178.421 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . 0.596 ' HZ2' ' HB3' ' A' ' 112' ' ' LYS . 10.5 mtpm? -54.63 -49.57 70.2 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.392 -0.367 . . . . 74.23 111.031 179.58 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' THR . . . . . 0.549 HG21 ' O ' ' A' ' 110' ' ' ALA . 5.8 t -74.71 -40.07 61.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.851 0.357 . . . . 74.22 110.308 -178.516 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.431 ' HG ' ' O ' ' A' ' 110' ' ' ALA . 42.6 mt -61.97 -49.05 77.66 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.211 -0.45 . . . . 61.01 111.123 -176.836 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 93.7 t -66.11 -35.68 75.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 121.018 0.437 . . . . 72.22 110.074 178.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -60.41 -60.54 3.65 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 115.636 -0.711 . . . . 65.51 110.401 179.446 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . 0.532 ' HG2' ' O ' ' A' ' 113' ' ' THR . 12.1 ptm180 -62.91 -38.05 89.41 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.955 -0.566 . . . . 65.24 110.829 -177.552 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -59.34 -51.11 71.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.994 -0.548 . . . . 63.41 110.675 178.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 37.0 t-80 -68.13 -21.56 64.92 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 116.37 -0.377 . . . . 74.13 110.512 -179.262 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 17.3 m170 -71.53 -54.57 10.11 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 120.948 0.404 . . . . 75.14 110.653 177.293 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 34.3 m -75.04 -29.51 22.15 Favored 'Isoleucine or valine' 0 C--O 1.235 0.306 0 CA-C-N 115.872 -0.604 . . . . 74.54 111.743 -173.516 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 14.1 p -145.82 88.89 6.3 Favored Pre-proline 0 CA--C 1.532 0.264 0 CA-C-O 120.836 0.351 . . . . 72.12 111.044 -179.743 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' PRO . . . . . 0.496 ' O ' ' HB2' ' A' ' 124' ' ' TYR . 17.6 Cg_endo -91.83 -78.19 0.0 OUTLIER 'Trans proline' 0 N--CA 1.453 -0.868 0 C-N-CA 122.888 2.392 . . . . 75.04 111.798 174.427 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' TYR . . . . . 0.496 ' HB2' ' O ' ' A' ' 123' ' ' PRO . 0.3 OUTLIER 165.14 -34.44 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 106.609 -1.626 . . . . 65.44 106.609 177.658 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' SER . . . . . 0.477 ' O ' HG21 ' A' ' 128' ' ' THR . 42.1 p -166.1 155.08 11.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 113.722 -1.581 . . . . 65.33 107.901 171.847 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 16.1 m120 -63.73 -31.98 73.32 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.867 0.842 . . . . 73.42 109.417 178.238 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . 0.508 ' O ' ' HB3' ' A' ' 131' ' ' ASN . . . -80.54 6.7 11.74 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 114.859 -1.064 . . . . 54.1 112.279 -176.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' THR . . . . . 0.477 HG21 ' O ' ' A' ' 125' ' ' SER . 5.1 t -89.06 -5.0 58.19 Favored 'General case' 0 CA--C 1.514 -0.414 0 N-CA-C 107.807 -1.183 . . . . 73.21 107.807 -175.848 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 7.4 ptm180 -129.94 -40.08 1.36 Allowed 'General case' 0 N--CA 1.444 -0.766 0 CA-C-N 114.066 -1.424 . . . . 72.04 109.622 179.276 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 88.3 m-20 -78.71 -26.16 44.79 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.336 -0.847 . . . . 71.52 111.592 -177.366 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 131' ' ' ASN . . . . . 0.508 ' HB3' ' O ' ' A' ' 127' ' ' ALA . 2.7 t-20 -103.97 -40.09 6.34 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 121.269 0.557 . . . . 72.12 109.563 178.871 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 20.9 t -98.16 121.52 48.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 115.306 -0.861 . . . . 70.22 109.876 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -76.16 98.65 4.45 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.086 0.469 . . . . 45.42 111.012 -176.765 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 9.8 t -110.39 133.52 55.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.834 -0.621 . . . . 75.02 111.014 -179.718 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . 0.453 ' HB2' ' HA ' ' A' ' 98' ' ' GLU . 18.7 mmt180 -96.47 106.84 19.15 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.645 -0.872 . . . . 74.34 108.645 173.734 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 28.4 mt -77.27 101.56 6.31 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-O 121.445 0.641 . . . . 50.04 110.192 177.387 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . 0.583 ' O ' ' HA ' ' A' ' 100' ' ' ARG . 0.2 OUTLIER -113.69 116.22 51.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.1 -0.955 . . . . 74.42 109.925 -177.901 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 4.0 m -92.67 139.09 18.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.712 -0.676 . . . . 71.15 110.493 -177.637 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.316 -0.886 0 CA-C-N 115.452 -0.795 . . . . 73.13 110.566 -176.34 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 28.1 ptm . . . . . 0 C--O 1.233 0.218 0 CA-C-O 120.889 0.376 . . . . 72.42 110.69 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 42.1 t30 -97.72 86.01 3.7 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.885 -0.598 . . . . 61.35 109.862 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . 0.493 HG23 ' HB2' ' B' ' 6' ' ' LYS . 32.1 mm -67.43 112.29 2.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.055 -0.52 . . . . 72.42 111.319 177.728 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . 0.647 ' HG ' ' HD3' ' A' ' 87' ' ' PRO . 80.7 mt -76.99 -45.42 27.44 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.173 -0.921 . . . . 75.25 110.324 179.235 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 5' ' ' TYR . . . . . 0.417 ' HB3' ' CG2' ' A' ' 85' ' ' ILE . 2.6 t80 -132.12 125.48 31.42 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.616 -0.72 . . . . 75.45 109.57 -176.529 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . 0.493 ' HB2' HG23 ' B' ' 3' ' ' ILE . 34.0 ttmt -136.8 142.45 42.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.924 0.392 . . . . 65.01 110.771 176.226 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 8.5 t -144.85 140.65 28.52 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.587 -0.733 . . . . 73.02 109.372 177.112 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . 0.422 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . . . -107.26 135.23 49.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.882 0.373 . . . . 64.22 110.429 -178.658 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . 0.403 ' HA ' ' H ' ' B' ' 22' ' ' HIS . . . -123.19 148.08 46.17 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.98 -0.554 . . . . 71.2 109.757 178.544 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 9.3 t -124.49 129.76 51.23 Favored 'General case' 0 N--CA 1.44 -0.936 0 N-CA-C 107.894 -1.15 . . . . 64.31 107.894 -177.3 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 50.2 m -126.47 113.26 16.59 Favored 'General case' 0 C--N 1.311 -1.1 0 CA-C-N 115.815 -0.629 . . . . 74.14 110.134 -175.487 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 3.4 m -99.07 158.15 15.86 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.827 -0.624 . . . . 73.24 111.19 -175.093 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -85.51 76.58 2.17 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.883 -0.675 . . . . 71.12 111.616 175.42 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.48 -130.22 0.01 OUTLIER Glycine 0 C--N 1.337 0.584 0 C-N-CA 121.364 -0.446 . . . . 73.4 112.433 175.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 68.2 mtp85 -60.4 -54.3 47.21 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 117.333 0.567 . . . . 65.14 109.544 174.408 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 16' ' ' ASP . . . . . 0.519 ' HB3' ' HA ' ' B' ' 31' ' ' SER . 21.6 t0 -125.7 -42.94 1.89 Allowed 'General case' 0 C--O 1.237 0.426 0 CA-C-N 115.946 -0.57 . . . . 65.33 109.839 172.188 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -160.5 157.46 28.86 Favored Glycine 0 N--CA 1.446 -0.649 0 C-N-CA 120.013 -1.089 . . . . 74.22 112.855 171.595 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 18' ' ' ARG . . . . . 0.471 ' HA ' ' HA ' ' B' ' 29' ' ' LYS . 17.0 ttt85 -135.25 147.02 49.14 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 108.815 -0.809 . . . . 74.4 108.815 175.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -143.66 123.8 13.69 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.897 -0.409 . . . . 64.31 109.897 -177.553 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 20' ' ' THR . . . . . 0.404 HG22 ' O ' ' B' ' 26' ' ' LEU . 66.8 m -140.75 119.88 12.86 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.384 -0.371 . . . . 75.11 111.042 -178.283 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 21' ' ' SER . . . . . 0.481 ' HB2' ' HB3' ' B' ' 26' ' ' LEU . 11.0 t -71.08 107.03 3.94 Favored 'General case' 0 C--O 1.246 0.871 0 N-CA-C 105.417 -2.068 . . . . 74.21 105.417 171.794 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 22' ' ' HIS . . . . . 0.43 ' C ' ' H ' ' B' ' 24' ' ' GLN . 20.6 t-80 -61.57 -26.17 67.78 Favored 'General case' 0 CA--C 1.517 -0.293 0 O-C-N 125.529 1.768 . . . . 73.12 112.11 -161.001 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 34.7 p-10 -80.77 21.43 0.67 Allowed 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.41 0.624 . . . . 63.54 110.141 176.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 24' ' ' GLN . . . . . 0.43 ' H ' ' C ' ' B' ' 22' ' ' HIS . 36.3 mm-40 72.04 25.21 3.06 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 114.712 -1.131 . . . . 71.43 111.911 170.23 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 50.2 mtmt -90.27 -22.46 21.59 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.465 -0.334 . . . . 41.25 111.118 175.508 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . 0.481 ' HB3' ' HB2' ' B' ' 21' ' ' SER . 38.8 tp -148.95 143.67 26.32 Favored 'General case' 0 C--O 1.221 -0.43 0 C-N-CA 120.455 -0.498 . . . . 73.34 110.566 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -157.95 99.89 1.7 Allowed 'General case' 0 C--N 1.33 -0.27 0 O-C-N 123.59 0.556 . . . . 53.33 110.542 178.094 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 2.7 m -149.68 177.95 0.72 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.376 0 CA-C-O 121.374 0.606 . . . . 74.12 111.629 176.662 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . 0.471 ' HA ' ' HA ' ' B' ' 18' ' ' ARG . 10.2 ttpt -133.25 146.65 51.62 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 114.932 -1.031 . . . . 74.12 109.204 176.249 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . 0.589 ' HB2' ' O ' ' B' ' 44' ' ' THR . 0.0 OUTLIER -129.59 163.66 25.53 Favored 'General case' 0 C--O 1.251 1.14 0 CA-C-O 121.023 0.439 . . . . 72.32 110.506 178.722 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 31' ' ' SER . . . . . 0.519 ' HA ' ' HB3' ' B' ' 16' ' ' ASP . 57.8 p -170.89 128.27 0.75 Allowed 'General case' 0 N--CA 1.448 -0.534 0 CA-C-N 115.547 -0.752 . . . . 62.35 111.365 -174.237 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -74.12 117.52 62.18 Favored Pre-proline 0 C--O 1.238 0.466 0 CA-C-N 116.221 -0.445 . . . . 75.13 110.007 173.562 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 33' ' ' PRO . . . . . . . . . . . . . 22.4 Cg_endo -60.74 149.18 89.09 Favored 'Trans proline' 0 C--N 1.348 0.518 0 C-N-CA 122.537 2.158 . . . . 72.21 111.688 179.367 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 16.2 mtm180 -75.06 67.83 1.79 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.129 0.49 . . . . 71.43 111.454 -178.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 68.7 mm-40 -100.05 -46.7 5.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.841 -0.618 . . . . 72.42 110.277 177.042 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 65.3 mt -115.52 5.35 14.41 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 115.917 -0.583 . . . . 63.52 111.09 -176.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 114.52 59.26 0.37 Allowed Glycine 0 N--CA 1.454 -0.133 0 N-CA-C 111.18 -0.768 . . . . 51.22 111.18 -172.452 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -100.21 -136.17 9.23 Favored Glycine 0 C--N 1.335 0.522 0 C-N-CA 121.159 -0.543 . . . . 64.12 112.077 -177.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -110.36 -49.56 3.05 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.898 0.38 . . . . 71.25 111.269 -176.001 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 120.23 79.25 0.57 Allowed Glycine 0 C--N 1.332 0.353 0 C-N-CA 121.092 -0.575 . . . . 53.13 112.02 -178.171 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -177.67 172.76 1.71 Allowed 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 122.756 0.422 . . . . 75.21 110.067 178.651 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -116.41 26.1 10.14 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.387 -0.37 . . . . 74.14 111.318 -177.493 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . 0.429 ' O ' ' HD3' ' A' ' 25' ' ' LYS . . . -68.92 -138.89 0.08 OUTLIER Glycine 0 CA--C 1.523 0.567 0 C-N-CA 121.373 -0.441 . . . . 72.12 112.82 179.46 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 44' ' ' THR . . . . . 0.589 ' O ' ' HB2' ' B' ' 30' ' ' LEU . 25.5 m -109.06 139.89 43.33 Favored 'General case' 0 C--N 1.331 -0.229 0 O-C-N 122.412 -0.463 . . . . 70.51 109.89 178.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 45' ' ' ASN . . . . . 0.502 ' HB2' ' HB3' ' B' ' 48' ' ' GLN . 1.5 m-20 -76.74 144.78 73.65 Favored Pre-proline 0 C--N 1.324 -0.52 0 N-CA-C 109.833 -0.432 . . . . 71.14 109.833 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 46' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_exo -57.91 -61.31 0.29 Allowed 'Trans proline' 0 C--N 1.352 0.762 0 C-N-CA 123.03 2.487 . . . . 54.41 113.46 -174.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.48 -30.74 71.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.31 0.576 . . . . 73.03 109.668 -177.394 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . 0.502 ' HB3' ' HB2' ' B' ' 45' ' ' ASN . 29.2 tt0 -63.33 -39.04 93.47 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.042 -0.981 . . . . 65.22 110.212 174.443 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 49' ' ' LEU . . . . . 0.461 HD21 HG21 ' B' ' 44' ' ' THR . 3.1 tm? -66.5 -48.93 68.25 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 115.935 -0.575 . . . . 73.15 109.501 179.471 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 42.0 t80 -57.72 -43.67 85.41 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 116.481 -0.327 . . . . 74.53 110.487 176.27 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.67 -53.13 61.19 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.358 -0.383 . . . . 63.22 111.108 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -57.95 -49.51 76.53 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-N 116.141 -0.481 . . . . 74.31 110.451 -179.518 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . 0.532 ' O ' ' SG ' ' B' ' 57' ' ' CYS . . . -59.88 -56.07 26.86 Favored Glycine 0 N--CA 1.447 -0.593 0 CA-C-N 115.277 -0.874 . . . . 73.22 112.1 179.704 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -54.43 -48.11 72.05 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 122.73 0.412 . . . . 73.43 111.025 -179.48 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 55' ' ' SER . . . . . 0.529 ' OG ' ' HB1' ' B' ' 81' ' ' ALA . 48.9 m -58.18 -50.11 74.68 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 110.268 -0.271 . . . . 71.55 110.268 -179.872 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 56' ' ' ALA . . . . . 0.508 ' HB1' HD22 ' A' ' 30' ' ' LEU . . . -58.77 -39.73 81.88 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-O 121.223 0.535 . . . . 72.32 110.569 176.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 57' ' ' CYS . . . . . 0.816 ' SG ' ' HB3' ' A' ' 46' ' ' PRO . 65.7 m -62.94 -36.23 82.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.356 -0.838 . . . . 72.4 109.976 178.482 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 30.5 t80 -61.89 -34.07 75.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.83 -0.623 . . . . 61.11 110.243 -177.511 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -67.05 -44.27 80.6 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.187 -0.46 . . . . 73.31 110.64 177.354 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 60' ' ' SER . . . . . 0.415 ' HB3' ' HB3' ' A' ' 32' ' ' ALA . 27.2 m -66.51 -40.92 89.47 Favored 'General case' 0 C--O 1.237 0.419 0 CA-C-O 121.272 0.558 . . . . 73.23 110.278 177.552 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 61' ' ' ALA . . . . . 0.434 ' O ' HG23 ' B' ' 65' ' ' VAL . . . -58.61 -45.74 88.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.662 -0.699 . . . . 44.1 109.778 177.468 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 62' ' ' MET . . . . . 0.528 ' HA ' ' HB ' ' B' ' 65' ' ' VAL . 30.1 mtp -72.84 -25.88 61.28 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.123 -0.49 . . . . 71.0 110.866 177.166 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 11.9 tppt? -59.77 -40.4 88.06 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 108.416 -0.957 . . . . 72.03 108.416 174.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 69.2 t80 -75.7 -48.46 21.86 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 115.192 -0.913 . . . . 73.11 111.183 174.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 65' ' ' VAL . . . . . 0.528 ' HB ' ' HA ' ' B' ' 62' ' ' MET . 41.0 t -54.68 -47.06 73.57 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.466 0 CA-C-O 120.934 0.397 . . . . 75.05 111.209 -177.166 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -58.0 -32.45 67.92 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.289 -0.414 . . . . 74.13 110.184 179.056 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -70.99 -25.41 75.83 Favored Glycine 0 C--N 1.332 0.336 0 CA-C-N 115.589 -0.732 . . . . 75.04 112.337 -178.534 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -98.81 -15.16 19.36 Favored 'General case' 0 C--N 1.332 -0.174 0 N-CA-C 109.624 -0.51 . . . . 64.5 109.624 178.607 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -94.89 -1.05 53.4 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 115.631 -0.713 . . . . 65.21 110.783 178.168 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 70' ' ' LYS . . . . . 0.44 ' HD3' ' N ' ' B' ' 70' ' ' LYS . 21.3 mmtm 65.18 22.44 12.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.507 -0.77 . . . . 73.12 110.85 174.883 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -114.57 165.13 13.1 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.926 -0.579 . . . . 74.24 110.256 -178.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 17.5 p -124.92 130.41 52.31 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.968 0.413 . . . . 74.12 110.577 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -109.38 142.93 26.72 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.009 -0.541 . . . . 75.15 110.754 178.179 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 74' ' ' PRO . . . . . 0.477 ' O ' HG23 ' B' ' 77' ' ' THR . 26.4 Cg_endo -61.38 150.75 83.56 Favored 'Trans proline' 0 C--N 1.348 0.522 0 C-N-CA 123.287 2.658 . . . . 74.32 112.293 177.789 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -77.2 -21.47 53.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.143 0.497 . . . . 71.53 110.421 174.529 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -80.97 5.29 16.76 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 115.543 -0.753 . . . . 60.22 111.553 -176.111 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 77' ' ' THR . . . . . 0.477 HG23 ' O ' ' B' ' 74' ' ' PRO . 10.3 t -79.39 142.23 36.16 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 120.864 0.364 . . . . 73.25 110.44 179.425 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 33.4 m -140.53 149.77 42.86 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.119 -0.491 . . . . 71.23 110.783 -176.155 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 77.6 t -126.93 125.68 67.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 N-CA-C 109.225 -0.658 . . . . 54.24 109.225 176.649 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 80' ' ' THR . . . . . 0.533 ' HA ' ' HA ' ' A' ' 10' ' ' THR . 22.3 m -110.83 115.27 29.23 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.327 -0.397 . . . . 75.2 110.594 -178.598 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 81' ' ' ALA . . . . . 0.529 ' HB1' ' OG ' ' B' ' 55' ' ' SER . . . -93.24 107.72 19.48 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.09 -0.505 . . . . 73.43 110.293 179.029 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -100.43 109.35 21.5 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.6 -0.518 . . . . 71.23 109.6 178.014 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 45.1 t -104.05 138.77 27.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 71.44 110.957 -173.338 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 84' ' ' GLY . . . . . 0.424 ' HA2' ' HA ' ' A' ' 6' ' ' LYS . . . -129.09 147.3 17.65 Favored Glycine 0 N--CA 1.44 -1.034 0 N-CA-C 111.075 -0.81 . . . . 52.45 111.075 173.706 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -124.66 129.75 73.6 Favored 'Isoleucine or valine' 0 C--O 1.244 0.789 0 N-CA-C 108.852 -0.795 . . . . 73.1 108.852 179.396 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 86' ' ' GLY . . . . . 0.455 ' HA2' ' HG ' ' A' ' 4' ' ' LEU . . . -148.56 169.9 29.09 Favored Glycine 0 N--CA 1.45 -0.406 0 N-CA-C 110.674 -0.97 . . . . 52.3 110.674 -178.318 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 87' ' ' PRO . . . . . 0.584 ' HD3' ' HG ' ' A' ' 4' ' ' LEU . 84.9 Cg_endo -81.66 152.52 17.36 Favored 'Trans proline' 0 N--CA 1.457 -0.635 0 C-N-CA 122.305 2.003 . . . . 70.05 111.253 -177.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 88' ' ' ASN . . . . . . . . . . . . . 37.0 p30 -114.79 161.73 17.8 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.721 -0.474 . . . . 72.3 109.721 175.696 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -69.38 -10.1 56.45 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.415 -0.357 . . . . 71.21 111.158 -178.063 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -69.25 -22.5 63.84 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.054 0.454 . . . . 74.05 110.096 172.121 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.16 2.79 45.06 Favored Glycine 0 C--N 1.33 0.222 0 CA-C-N 115.964 -0.562 . . . . 72.2 112.591 177.338 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . -113.01 -160.24 14.23 Favored Glycine 0 N--CA 1.452 -0.237 0 N-CA-C 111.56 -0.616 . . . . 70.13 111.56 178.202 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 93' ' ' PHE . . . . . . . . . . . . . 35.7 m-85 -97.83 158.09 15.71 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-O 121.056 0.455 . . . . 73.12 110.208 177.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -141.65 133.38 27.15 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.614 -0.721 . . . . 62.21 109.46 -177.11 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -99.75 134.99 41.84 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.88 -0.6 . . . . 74.21 110.478 -179.167 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 96' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -133.03 110.1 10.0 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 115.088 -0.96 . . . . 73.53 108.699 178.099 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 97' ' ' VAL . . . . . 0.731 HG12 HG23 ' B' ' 134' ' ' VAL . 0.9 OUTLIER -120.8 119.78 60.53 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-O 121.662 0.744 . . . . 65.34 111.358 -175.244 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -92.69 112.56 24.56 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 114.881 -1.054 . . . . 74.42 108.983 178.404 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 15.8 tp -93.84 108.23 20.04 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.185 -0.672 . . . . 75.14 109.185 -176.646 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 100' ' ' ARG . . . . . 0.558 ' HA ' ' O ' ' B' ' 137' ' ' VAL . 0.1 OUTLIER -99.13 111.09 23.57 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.532 -0.544 . . . . 70.24 109.532 -171.183 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 101' ' ' VAL . . . . . 0.427 HG12 HG23 ' B' ' 115' ' ' VAL . 74.1 t -100.95 114.6 40.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 60.12 111.197 -171.56 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -109.24 101.42 10.44 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 120.893 0.377 . . . . 53.32 110.661 177.288 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 103' ' ' LEU . . . . . 0.811 HD21 HD23 ' B' ' 106' ' ' LEU . 41.0 tp -111.26 115.64 52.09 Favored Pre-proline 0 C--N 1.329 -0.299 0 N-CA-C 108.249 -1.019 . . . . 72.24 108.249 174.411 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 104' ' ' PRO . . . . . 0.523 ' HD2' HD11 ' B' ' 103' ' ' LEU . 40.9 Cg_endo -70.6 142.6 44.63 Favored 'Trans proline' 0 N--CA 1.461 -0.407 0 C-N-CA 122.311 2.007 . . . . 74.24 112.835 -172.469 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 105' ' ' GLY . . . . . . . . . . . . . . . 79.68 -0.21 82.46 Favored Glycine 0 CA--C 1.519 0.339 0 CA-C-N 115.114 -0.948 . . . . 72.34 112.559 -177.47 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 106' ' ' LEU . . . . . 0.811 HD23 HD21 ' B' ' 103' ' ' LEU . 29.3 tp -103.03 136.77 42.23 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.288 0.566 . . . . 65.44 111.377 -176.335 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -77.86 153.72 32.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 114.987 -1.006 . . . . 63.12 110.608 176.542 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -68.51 -43.56 76.56 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.788 0.327 . . . . 74.55 111.088 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -57.54 -42.7 83.47 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 121.156 0.503 . . . . 64.51 110.7 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -74.67 -38.94 62.29 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 115.714 -0.676 . . . . 72.03 110.341 177.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 111' ' ' ALA . . . . . 0.441 ' HA ' HD21 ' B' ' 106' ' ' LEU . . . -56.55 -37.31 70.36 Favored 'General case' 0 CA--C 1.519 -0.222 0 CA-C-N 115.641 -0.709 . . . . 64.14 110.745 -179.884 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 112' ' ' LYS . . . . . . . . . . . . . 56.2 mmtt -50.97 -46.94 61.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.956 -0.566 . . . . 74.45 111.003 177.554 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 113' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -82.16 -36.27 27.55 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 116.423 -0.353 . . . . 72.03 111.172 -175.05 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 52.3 mt -66.83 -46.15 76.02 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 120.828 0.347 . . . . 72.05 110.332 -178.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 115' ' ' VAL . . . . . 0.427 HG23 HG12 ' B' ' 101' ' ' VAL . 86.9 t -64.16 -38.66 83.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.963 -0.562 . . . . 63.55 110.122 176.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -59.38 -53.65 55.7 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 116.414 -0.357 . . . . 75.43 110.779 -179.158 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 117' ' ' ARG . . . . . . . . . . . . . 7.2 ptm180 -67.98 -41.92 81.59 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 116.093 -0.503 . . . . 70.2 110.771 -176.656 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -62.29 -39.06 91.73 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 121.425 0.631 . . . . 61.11 109.966 177.562 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 119' ' ' HIS . . . . . 0.574 ' HD1' ' HD2' ' B' ' 129' ' ' ARG . 20.9 t-80 -83.99 6.85 20.4 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 115.38 -0.827 . . . . 74.31 110.619 179.423 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 15.3 t-80 -108.87 -37.78 5.77 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 116.254 -0.43 . . . . 73.32 111.087 177.49 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 34.8 m -85.11 -33.75 8.24 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.282 0 N-CA-C 112.047 0.388 . . . . 73.14 112.047 -176.304 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 122' ' ' CYS . . . . . . . . . . . . . 63.8 m -77.13 142.82 68.95 Favored Pre-proline 0 C--O 1.239 0.508 0 CA-C-N 116.707 -0.224 . . . . 74.53 111.567 -176.532 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 123' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_exo -58.51 165.94 6.97 Favored 'Trans proline' 0 C--N 1.356 0.928 0 C-N-CA 122.891 2.394 . . . . 65.25 111.479 174.472 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 124' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 . . . . . 0 N--CA 1.476 0.838 0 C-N-CA 123.249 0.62 . . . . 65.35 110.313 -174.127 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 128' ' ' THR . . . . . 0.581 ' HA ' ' HB ' ' B' ' 132' ' ' VAL . 1.3 t . . . . . 0 N--CA 1.449 -0.478 0 CA-C-O 121.375 0.607 . . . . 64.4 109.497 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 129' ' ' ARG . . . . . 0.574 ' HD2' ' HD1' ' B' ' 119' ' ' HIS . 17.7 ptm180 -114.65 -55.07 2.52 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-N 115.715 -0.675 . . . . 75.21 110.126 -178.235 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 130' ' ' ASN . . . . . 0.411 ' N ' ' HG3' ' B' ' 129' ' ' ARG . 88.4 m-20 -79.36 -25.85 42.17 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.869 -0.605 . . . . 74.14 111.699 -177.786 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 131' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -104.45 -41.79 5.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.249 -0.432 . . . . 75.43 110.632 -178.008 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 132' ' ' VAL . . . . . 0.581 ' HB ' ' HA ' ' B' ' 128' ' ' THR . 46.4 t -112.29 157.8 12.93 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.411 0 CA-C-N 115.838 -0.619 . . . . 62.31 110.486 -173.374 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 133' ' ' ALA . . . . . . . . . . . . . . . -87.83 81.61 7.53 Favored 'General case' 0 C--O 1.239 0.544 0 CA-C-O 121.753 0.787 . . . . 72.23 112.456 -176.378 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 134' ' ' VAL . . . . . 0.731 HG23 HG12 ' B' ' 97' ' ' VAL . 90.7 t -110.69 118.57 57.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 114.764 -1.107 . . . . 64.53 109.606 168.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 5.6 tmm_? -90.69 107.57 19.26 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.348 -0.612 . . . . 74.32 109.348 177.696 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 136' ' ' LEU . . . . . 0.443 HD12 ' CG ' ' B' ' 119' ' ' HIS . 38.6 mt -72.26 109.18 5.83 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.028 -0.533 . . . . 72.41 110.411 179.724 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 137' ' ' VAL . . . . . 0.558 ' O ' ' HA ' ' B' ' 100' ' ' ARG . 0.2 OUTLIER -116.02 114.63 46.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 115.319 -0.855 . . . . 74.23 109.879 -179.912 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 138' ' ' VAL . . . . . . . . . . . . . 4.2 m -89.31 138.52 19.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 115.582 -0.735 . . . . 70.52 109.518 -177.616 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 139' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.312 -1.059 0 CA-C-N 115.177 -0.919 . . . . 71.35 111.689 -174.165 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.5 ptt? . . . . . 0 N--CA 1.484 1.262 0 CA-C-O 120.495 0.188 . . . . 71.43 110.512 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . 0.49 ' O ' ' HD2' ' B' ' 87' ' ' PRO . 38.5 t30 -73.29 79.46 1.33 Allowed 'General case' 0 CA--C 1.532 0.281 0 CA-C-O 121.254 0.55 . . . . 75.52 110.362 175.805 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.509 HG21 ' HB2' ' A' ' 6' ' ' LYS . 31.7 mm -74.61 137.9 22.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.629 -0.714 . . . . 51.02 111.523 176.152 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.628 ' HG ' ' HD3' ' B' ' 87' ' ' PRO . 83.4 mt -93.42 -44.9 8.04 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.716 -0.675 . . . . 74.21 109.94 173.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 33.2 t80 -136.65 131.06 33.13 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.003 -0.544 . . . . 73.42 109.819 -178.497 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.509 ' HB2' HG21 ' A' ' 3' ' ' ILE . 30.0 ttmt -138.66 138.73 38.06 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.878 0.37 . . . . 62.42 110.363 177.506 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.401 HG23 ' OE1' ' B' ' 48' ' ' GLN . 11.1 t -142.37 146.54 35.06 Favored 'General case' 0 C--O 1.237 0.444 0 N-CA-C 109.124 -0.695 . . . . 73.02 109.124 -179.592 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.501 ' HA ' ' HA ' ' B' ' 82' ' ' GLU . . . -117.01 154.36 31.06 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 121.012 0.434 . . . . 64.34 111.643 -174.82 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.546 ' HA ' ' HA ' ' A' ' 21' ' ' SER . . . -138.76 121.07 15.94 Favored 'General case' 0 C--O 1.226 -0.169 0 CA-C-N 116.048 -0.524 . . . . 73.03 110.693 177.097 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 7.7 t -98.97 115.83 29.81 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.241 0.543 . . . . 73.43 109.828 178.259 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.529 ' HA ' ' O ' ' A' ' 18' ' ' ARG . 17.7 p -107.37 116.97 32.87 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.042 -0.526 . . . . 74.42 111.135 179.171 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.57 ' HA ' HG23 ' B' ' 78' ' ' THR . 2.4 m -82.58 155.0 24.7 Favored 'General case' 0 C--O 1.238 0.485 0 CA-C-N 115.553 -0.749 . . . . 72.12 110.592 178.828 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -89.61 74.82 1.89 Allowed Glycine 0 CA--C 1.521 0.455 0 C-N-CA 121.147 -0.549 . . . . 62.44 112.974 179.549 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -73.47 -132.16 0.2 Allowed Glycine 0 CA--C 1.525 0.707 0 C-N-CA 121.102 -0.57 . . . . 62.02 112.171 173.099 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 9.8 mmt180 -60.9 -55.7 29.84 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 117.144 0.472 . . . . 73.04 110.508 176.676 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.539 ' HB3' ' HA ' ' A' ' 31' ' ' SER . 30.1 t0 -125.99 -42.42 1.89 Allowed 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.206 -0.452 . . . . 74.22 109.917 176.395 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -170.69 152.5 18.83 Favored Glycine 0 N--CA 1.446 -0.697 0 C-N-CA 120.456 -0.878 . . . . 73.12 111.786 171.682 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.529 ' O ' ' HA ' ' A' ' 11' ' ' SER . 3.3 tmt_? -135.2 101.32 4.81 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 108.49 -0.93 . . . . 73.24 108.49 178.195 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -102.38 123.79 46.79 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.907 0.384 . . . . 71.12 111.448 -170.064 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 45.6 m -128.56 111.99 13.83 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.178 -0.465 . . . . 65.23 110.002 176.626 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.546 ' HA ' ' HA ' ' A' ' 9' ' ' ALA . 43.4 t -67.23 107.77 2.48 Favored 'General case' 0 C--O 1.246 0.915 0 N-CA-C 107.858 -1.164 . . . . 62.3 107.858 175.689 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.484 ' H ' ' HA ' ' A' ' 9' ' ' ALA . 36.9 t-80 -48.76 -32.78 9.12 Favored 'General case' 0 C--N 1.348 0.538 0 O-C-N 126.205 2.19 . . . . 71.44 112.887 -167.846 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.405 ' HB2' ' HG2' ' A' ' 25' ' ' LYS . 2.1 m-20 -79.98 25.61 0.36 Allowed 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 120.993 0.425 . . . . 73.43 110.037 -175.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.479 ' H ' ' C ' ' A' ' 22' ' ' HIS . 26.6 mm-40 62.83 21.03 12.57 Favored 'General case' 0 CA--C 1.517 -0.298 0 CA-C-N 115.337 -0.847 . . . . 72.53 109.847 178.233 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.461 ' HB2' ' CB ' ' A' ' 21' ' ' SER . 32.2 mmtp -74.62 -42.23 58.98 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-N 115.227 -0.897 . . . . 73.44 109.057 178.055 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.438 ' N ' ' HB3' ' A' ' 21' ' ' SER . 39.8 tp -150.59 149.63 30.15 Favored 'General case' 0 C--O 1.221 -0.43 0 C-N-CA 120.009 -0.677 . . . . 74.42 111.872 -172.749 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -152.03 105.83 3.12 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-O 121.44 0.638 . . . . 74.5 109.317 172.353 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.42 HG21 HD11 ' A' ' 26' ' ' LEU . 3.1 m -151.09 178.02 0.58 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.524 0 CA-C-N 115.613 -0.721 . . . . 62.12 111.386 177.768 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.505 ' HA ' ' HA ' ' A' ' 18' ' ' ARG . 24.0 tttt -133.31 145.73 50.69 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.165 -0.925 . . . . 62.42 109.851 177.886 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.659 ' HB3' ' HB ' ' A' ' 44' ' ' THR . 0.0 OUTLIER -125.23 152.3 44.76 Favored 'General case' 0 C--O 1.247 0.931 0 CA-C-O 121.139 0.495 . . . . 73.21 109.979 174.316 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.539 ' HA ' ' HB3' ' A' ' 16' ' ' ASP . 73.1 m -168.04 101.58 0.46 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.051 -0.977 . . . . 75.34 109.607 -172.555 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.57 127.19 93.37 Favored Pre-proline 0 N--CA 1.447 -0.624 0 N-CA-C 109.622 -0.51 . . . . 52.21 109.622 178.192 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 5.5 Cg_endo -48.71 140.66 22.16 Favored 'Trans proline' 0 N--CA 1.461 -0.437 0 C-N-CA 122.363 2.042 . . . . 73.33 110.877 174.473 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.628 HH11 ' HA2' ' A' ' 37' ' ' GLY . 0.0 OUTLIER -43.39 -82.34 0.01 OUTLIER 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 123.461 0.705 . . . . 64.52 111.985 -175.516 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 46.39 -72.99 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.386 0 O-C-N 124.319 1.012 . . . . 75.14 113.569 179.559 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.556 ' N ' ' O ' ' A' ' 34' ' ' ARG . 7.1 mp -87.56 -47.85 8.39 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.859 0.838 . . . . 73.53 108.739 -177.335 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.628 ' HA2' HH11 ' A' ' 34' ' ' ARG . . . 166.84 39.12 0.02 OUTLIER Glycine 0 N--CA 1.44 -1.075 0 CA-C-N 114.183 -1.371 . . . . 72.22 110.606 -178.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -79.99 -134.84 1.29 Allowed Glycine 0 N--CA 1.444 -0.795 0 C-N-CA 120.313 -0.946 . . . . 73.44 112.424 -176.243 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -115.3 -8.74 12.28 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-O 120.833 0.349 . . . . 63.22 111.009 -175.653 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.406 ' HA2' ' H ' ' A' ' 34' ' ' ARG . . . 66.04 69.8 1.26 Allowed Glycine 0 C--N 1.331 0.294 0 CA-C-N 115.661 -0.699 . . . . 45.53 112.355 179.556 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -163.16 173.18 13.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.656 0.265 . . . . 51.12 110.357 -179.78 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -99.93 35.03 2.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.12 -0.491 . . . . 71.23 110.48 -179.005 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -82.06 -163.35 32.13 Favored Glycine 0 C--N 1.332 0.306 0 C-N-CA 121.19 -0.529 . . . . 55.55 112.079 -179.048 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.659 ' HB ' ' HB3' ' A' ' 30' ' ' LEU . 44.8 m -93.64 152.89 18.69 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.584 -0.525 . . . . 74.01 109.584 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -92.19 117.86 67.87 Favored Pre-proline 0 C--N 1.328 -0.368 0 N-CA-C 109.115 -0.698 . . . . 72.33 109.115 176.79 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_exo -43.31 -50.36 6.7 Favored 'Trans proline' 0 CA--C 1.536 0.606 0 C-N-CA 123.174 2.583 . . . . 63.04 113.154 178.64 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -59.09 -41.99 89.37 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-O 121.27 0.557 . . . . 62.13 110.55 -179.752 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -65.07 -37.82 88.8 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.657 -0.701 . . . . 74.41 110.026 178.706 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.474 HD12 ' HA3' ' B' ' 53' ' ' GLY . 2.7 tm? -62.74 -45.5 92.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.8 -0.636 . . . . 71.11 109.605 -179.793 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 63.8 t80 -64.45 -43.25 94.85 Favored 'General case' 0 C--O 1.224 -0.252 0 CA-C-N 115.994 -0.548 . . . . 65.21 110.67 177.281 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.547 ' HB2' HG11 ' A' ' 83' ' ' VAL . . . -57.17 -52.99 63.1 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.23 -0.441 . . . . 52.03 111.324 177.743 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.424 ' HB1' ' HB3' ' B' ' 19' ' ' ALA . . . -63.36 -42.91 98.9 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.084 -0.507 . . . . 73.32 110.405 -178.76 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.425 ' HA3' HD13 ' B' ' 49' ' ' LEU . . . -63.72 -44.41 96.37 Favored Glycine 0 C--O 1.224 -0.531 0 CA-C-N 115.609 -0.723 . . . . 45.35 112.402 178.891 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -65.06 -40.86 95.3 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 110.158 -0.312 . . . . 74.55 110.158 -179.641 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.414 ' OG ' ' HB3' ' A' ' 81' ' ' ALA . 49.7 m -62.71 -49.0 76.8 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.447 -0.342 . . . . 73.1 110.124 178.063 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.489 ' HB1' HD23 ' B' ' 30' ' ' LEU . . . -59.54 -47.56 85.05 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-O 121.095 0.474 . . . . 72.41 110.41 177.804 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.406 ' SG ' ' O ' ' A' ' 53' ' ' GLY . 81.3 m -55.73 -36.27 67.06 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.456 -0.793 . . . . 74.4 110.628 175.758 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 10.9 t80 -60.59 -40.66 92.58 Favored 'General case' 0 CA--C 1.53 0.186 0 N-CA-C 109.744 -0.465 . . . . 74.24 109.744 -179.196 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.426 ' O ' ' HG3' ' A' ' 63' ' ' LYS . 4.0 mm? -68.29 -51.69 42.0 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.039 -0.528 . . . . 74.12 110.645 177.3 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 37.7 m -56.34 -42.07 77.1 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-O 120.856 0.36 . . . . 74.4 110.969 -179.29 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.19 -44.15 80.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 64.15 110.195 178.478 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' MET . . . . . 0.605 ' HE3' ' HA ' ' A' ' 62' ' ' MET . 4.3 tpt -59.82 -32.07 70.31 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 115.592 -0.731 . . . . 61.32 110.093 177.642 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.426 ' HG3' ' O ' ' A' ' 59' ' ' LEU . 98.7 mttt -70.79 -48.99 51.29 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 116.26 -0.427 . . . . 62.32 110.49 177.344 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 71.0 t80 -55.37 -41.55 72.75 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 121.248 0.547 . . . . 70.35 109.947 177.318 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 49.2 t -62.83 -47.42 92.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.577 -0.738 . . . . 51.41 110.382 175.188 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -56.19 -34.56 66.36 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.979 -0.555 . . . . 55.45 110.753 -179.658 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -68.64 -31.56 73.59 Favored Glycine 0 N--CA 1.453 -0.182 0 CA-C-N 115.3 -0.864 . . . . 65.01 112.347 -176.257 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -96.69 -15.76 21.28 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.525 -0.546 . . . . 73.33 109.525 -178.55 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 13.7 m-80 -94.17 -1.11 54.69 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.525 -0.762 . . . . 73.35 110.726 176.719 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 20.9 mmtm 62.34 24.55 14.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.467 -0.788 . . . . 70.5 110.81 172.654 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -109.97 168.22 9.58 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.628 -0.714 . . . . 65.11 109.675 177.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 29.7 p -123.51 142.33 51.12 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.983 0.42 . . . . 71.13 110.841 -178.16 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.602 HD13 ' HG3' ' A' ' 62' ' ' MET . 96.2 mt -109.31 138.16 20.42 Favored Pre-proline 0 C--N 1.324 -0.513 0 CA-C-N 115.806 -0.634 . . . . 64.52 110.31 178.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . 0.444 ' O ' HG23 ' A' ' 77' ' ' THR . 30.6 Cg_endo -64.88 139.07 60.57 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.611 2.207 . . . . 75.32 111.44 175.112 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -76.89 -10.15 59.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.206 0.527 . . . . 74.43 111.219 -179.134 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -89.89 5.23 47.23 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.596 -0.729 . . . . 72.44 111.442 -176.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.444 HG23 ' O ' ' A' ' 74' ' ' PRO . 9.7 t -78.64 146.51 34.05 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.2 -0.454 . . . . 74.0 111.265 -177.439 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 75.6 m -148.13 149.68 32.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.282 0.563 . . . . 72.13 110.554 -179.037 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 56.4 t -125.03 121.56 61.25 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-N 115.298 -0.865 . . . . 73.54 108.896 178.22 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 10.0 m -98.21 115.36 28.18 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.457 -0.338 . . . . 61.0 110.333 -179.042 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.467 ' HB1' ' HB3' ' A' ' 51' ' ' ALA . . . -96.03 104.63 16.59 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.87 -0.604 . . . . 75.0 110.622 179.43 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -98.28 110.09 22.74 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.337 -0.616 . . . . 75.53 109.337 176.117 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.547 HG11 ' HB2' ' A' ' 51' ' ' ALA . 16.7 m -114.2 135.59 53.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 121.391 0.615 . . . . 74.25 111.432 -178.126 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -136.36 162.66 25.12 Favored Glycine 0 N--CA 1.442 -0.944 0 CA-C-N 115.227 -0.897 . . . . 64.22 111.322 177.596 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -138.57 131.93 40.19 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 N-CA-C 109.257 -0.646 . . . . 71.32 109.257 -177.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -149.39 169.77 29.67 Favored Glycine 0 CA--C 1.517 0.181 0 O-C-N 124.143 0.902 . . . . 64.2 111.355 -179.63 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . 0.706 ' HD3' ' HG ' ' B' ' 4' ' ' LEU . 4.7 Cg_exo -72.69 125.07 10.24 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.789 2.326 . . . . 75.13 111.719 -177.59 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . 0.503 ' HB2' ' HB3' ' A' ' 94' ' ' ALA . 25.2 t-20 -73.57 158.6 34.53 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.336 -0.616 . . . . 63.43 109.336 176.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -61.12 -23.95 65.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.787 0.327 . . . . 74.31 111.063 -177.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -69.65 -21.83 63.5 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-O 121.426 0.631 . . . . 62.35 110.587 177.001 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.31 6.61 41.63 Favored Glycine 0 N--CA 1.452 -0.282 0 CA-C-N 115.521 -0.763 . . . . 52.42 111.786 -176.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -97.12 -150.04 26.24 Favored Glycine 0 N--CA 1.45 -0.401 0 N-CA-C 110.854 -0.898 . . . . 74.12 110.854 177.535 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 32.9 m-85 -112.22 150.71 30.51 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 117.0 0.4 . . . . 72.25 110.023 175.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . 0.503 ' HB3' ' HB2' ' A' ' 88' ' ' ASN . . . -139.31 136.65 35.07 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.811 -0.631 . . . . 73.43 109.821 -179.07 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -99.73 127.3 45.87 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.963 -0.562 . . . . 75.45 111.006 -177.53 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -110.01 110.89 21.95 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.122 -0.944 . . . . 62.1 108.793 177.538 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.53 HG21 HG13 ' A' ' 83' ' ' VAL . 49.0 t -119.73 110.82 30.42 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.86 0 CA-C-N 116.017 -0.538 . . . . 41.42 110.813 -175.005 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -101.47 113.37 26.41 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.136 -0.691 . . . . 52.25 109.136 175.625 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 13.6 tp -105.46 108.3 19.75 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.556 -0.535 . . . . 73.33 109.556 -174.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . 0.533 ' HA ' ' O ' ' A' ' 137' ' ' VAL . 41.7 ttt180 -99.15 112.5 24.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.46 . . . . 73.43 109.84 -176.148 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 48.6 t -100.67 99.54 8.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.582 -0.281 . . . . 72.23 110.407 -172.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -93.14 101.58 13.88 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-O 120.968 0.414 . . . . 73.1 110.344 179.608 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.931 HD21 HD23 ' A' ' 106' ' ' LEU . 30.5 tp -114.7 111.59 45.88 Favored Pre-proline 0 C--N 1.326 -0.447 0 N-CA-C 108.304 -0.999 . . . . 73.31 108.304 176.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . 0.52 ' HD2' HD13 ' A' ' 103' ' ' LEU . 60.4 Cg_endo -73.12 148.5 44.59 Favored 'Trans proline' 0 N--CA 1.462 -0.358 0 C-N-CA 122.718 2.278 . . . . 73.52 112.868 -171.789 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 72.33 15.27 77.02 Favored Glycine 0 CA--C 1.519 0.333 0 CA-C-N 115.545 -0.752 . . . . 54.45 112.503 -178.194 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.931 HD23 HD21 ' A' ' 103' ' ' LEU . 22.7 tp -115.77 143.68 45.05 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 122.579 0.352 . . . . 65.03 110.759 -175.869 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . 0.413 ' O ' ' HB1' ' A' ' 111' ' ' ALA . 1.5 t70 -75.9 163.41 27.23 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 116.132 -0.485 . . . . 72.42 110.808 178.864 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -68.62 -44.57 73.97 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.309 -0.859 . . . . 74.35 109.833 171.179 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -62.43 -48.92 77.56 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 115.316 -0.856 . . . . 64.13 110.369 -177.062 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . 0.513 ' O ' ' HG ' ' A' ' 114' ' ' LEU . . . -68.64 -41.42 79.44 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.94 -0.573 . . . . 73.25 110.035 179.663 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . 0.53 ' HA ' HD21 ' A' ' 106' ' ' LEU . . . -54.46 -44.94 73.0 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.175 -0.466 . . . . 54.13 111.503 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 59.0 mmtt -51.62 -47.84 63.52 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.251 -0.431 . . . . 74.23 110.975 177.568 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' THR . . . . . 0.492 HG21 ' O ' ' A' ' 110' ' ' ALA . 1.2 t -76.65 -34.96 58.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.471 -0.331 . . . . 74.22 111.27 -174.127 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.513 ' HG ' ' O ' ' A' ' 110' ' ' ALA . 42.0 mt -64.56 -51.8 60.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.782 0.325 . . . . 61.01 110.351 -179.113 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 59.2 t -63.5 -34.62 68.58 Favored 'Isoleucine or valine' 0 C--O 1.24 0.602 0 CA-C-O 121.376 0.608 . . . . 72.22 109.626 178.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . 0.651 ' HA ' ' CD2' ' A' ' 119' ' ' HIS . 24.2 t70 -64.45 -58.72 5.65 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-N 115.636 -0.711 . . . . 65.51 110.694 -179.38 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . 0.424 ' O ' HG22 ' A' ' 121' ' ' VAL . 10.4 ptm180 -60.33 -32.76 71.55 Favored 'General case' 0 N--CA 1.455 -0.188 0 CA-C-N 116.186 -0.461 . . . . 65.24 109.957 -178.69 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -59.17 -56.3 23.99 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-N 115.577 -0.738 . . . . 63.41 110.966 177.13 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . 0.651 ' CD2' ' HA ' ' A' ' 116' ' ' ASP . 16.7 p80 -72.29 -13.58 61.54 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 120.83 0.348 . . . . 74.13 110.565 179.732 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 11.8 t60 -76.23 -51.54 11.87 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.755 -0.657 . . . . 75.14 110.342 -178.546 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . 0.424 HG22 ' O ' ' A' ' 117' ' ' ARG . 25.8 m -100.21 -18.4 6.35 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.325 0 N-CA-C 112.236 0.458 . . . . 74.54 112.236 -174.568 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 47.3 t -121.82 82.71 42.47 Favored Pre-proline 0 N--CA 1.465 0.317 0 CA-C-O 121.023 0.44 . . . . 72.12 110.902 -178.475 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_endo -99.68 134.74 0.23 Allowed 'Trans proline' 0 N--CA 1.453 -0.872 0 C-N-CA 123.198 2.599 . . . . 75.04 112.525 175.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -65.98 -20.72 66.29 Favored 'General case' 0 N--CA 1.468 0.471 0 N-CA-C 108.463 -0.94 . . . . 65.44 108.463 170.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' SER . . . . . 0.586 ' O ' HG21 ' A' ' 128' ' ' THR . 29.8 t -176.59 145.67 0.56 Allowed 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 113.647 -1.615 . . . . 65.33 106.894 174.689 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' ASN . . . . . 0.636 ' HB3' HD22 ' B' ' 131' ' ' ASN . 49.0 t30 -59.69 -31.4 69.54 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.801 0.81 . . . . 73.42 109.021 176.849 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . 0.547 ' O ' ' HB3' ' A' ' 131' ' ' ASN . . . -84.44 5.2 28.21 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 114.716 -1.129 . . . . 54.1 112.322 -176.897 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' THR . . . . . 0.586 HG21 ' O ' ' A' ' 125' ' ' SER . 2.2 t -94.89 -7.31 40.47 Favored 'General case' 0 N--CA 1.467 0.397 0 N-CA-C 109.299 -0.63 . . . . 73.21 109.299 -178.763 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 35.5 ptt180 -121.65 -52.78 2.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.029 -0.987 . . . . 72.04 110.54 -175.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 88.9 m-20 -78.83 -34.23 45.4 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.748 -0.66 . . . . 71.52 111.697 -177.102 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 131' ' ' ASN . . . . . 0.547 ' HB3' ' O ' ' A' ' 127' ' ' ALA . 23.1 t-20 -88.23 -42.78 12.06 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 120.882 0.372 . . . . 72.12 110.483 -178.494 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 59.5 t -88.5 127.85 41.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.101 -0.5 . . . . 70.22 110.019 179.327 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -73.57 85.6 1.57 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.617 0.723 . . . . 45.42 111.113 -177.612 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . 0.526 ' HA ' ' O ' ' A' ' 97' ' ' VAL . 42.3 t -102.14 118.44 48.98 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.634 0 CA-C-N 115.052 -0.976 . . . . 75.02 110.561 176.343 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 19.2 mtm180 -90.13 108.61 19.84 Favored 'General case' 0 C--O 1.234 0.264 0 N-CA-C 109.352 -0.61 . . . . 74.34 109.352 175.259 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . 0.403 HD22 ' HA ' ' A' ' 136' ' ' LEU . 72.1 mt -82.18 108.84 15.96 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.362 0.601 . . . . 50.04 111.004 -179.504 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . 0.533 ' O ' ' HA ' ' A' ' 100' ' ' ARG . 0.2 OUTLIER -116.38 116.73 53.18 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-N 115.037 -0.983 . . . . 74.42 109.637 -179.378 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 4.0 m -89.96 138.99 18.25 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-O 121.251 0.548 . . . . 71.15 110.299 -177.556 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.315 -0.921 0 CA-C-N 115.558 -0.746 . . . . 73.13 110.763 -175.978 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 17.2 ptt? . . . . . 0 C--O 1.233 0.195 0 CA-C-O 120.74 0.305 . . . . 72.42 110.625 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 43.6 t30 -78.2 74.0 4.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.268 0.556 . . . . 61.35 110.806 179.276 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . 0.516 HG22 ' HB2' ' B' ' 6' ' ' LYS . 33.1 mm -67.08 127.54 28.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 115.703 -0.681 . . . . 72.42 111.236 174.747 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . 0.706 ' HG ' ' HD3' ' A' ' 87' ' ' PRO . 87.5 mt -84.78 -45.33 12.47 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.565 -0.743 . . . . 75.25 109.98 175.392 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 5' ' ' TYR . . . . . . . . . . . . . 25.5 t80 -138.81 131.31 28.77 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.201 -0.454 . . . . 75.45 110.322 -178.16 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . 0.516 ' HB2' HG22 ' B' ' 3' ' ' ILE . 30.6 ttmt -139.51 141.14 37.33 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-O 121.27 0.557 . . . . 65.01 111.846 177.297 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 7.8 t -142.48 145.47 33.74 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-N 115.251 -0.886 . . . . 73.02 108.964 178.194 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -118.5 148.49 42.55 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-O 120.766 0.317 . . . . 64.22 111.079 -176.299 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . 0.555 ' HA ' ' H ' ' B' ' 22' ' ' HIS . . . -137.16 136.05 37.88 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.22 -0.445 . . . . 71.2 110.338 -179.37 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 10' ' ' THR . . . . . 0.473 HG23 ' HB ' ' B' ' 20' ' ' THR . 7.8 t -98.79 127.2 44.64 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.639 -0.504 . . . . 64.31 109.639 177.532 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 42.1 t -122.77 113.01 18.6 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.429 -0.351 . . . . 74.14 110.372 -177.704 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 17.3 m -100.94 161.46 13.58 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 110.171 -0.307 . . . . 73.24 110.171 -179.237 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -99.22 49.52 1.22 Allowed Glycine 0 N--CA 1.45 -0.373 0 N-CA-C 111.448 -0.661 . . . . 71.12 111.448 176.627 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -40.98 -99.09 0.01 OUTLIER Glycine 0 C--N 1.344 1.008 0 O-C-N 124.329 0.664 . . . . 73.4 114.49 -172.521 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 22.7 mmm180 -84.94 -55.06 4.26 Favored 'General case' 0 N--CA 1.465 0.283 0 O-C-N 122.266 -0.549 . . . . 65.14 109.797 177.449 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 16' ' ' ASP . . . . . 0.42 ' HB3' ' HA ' ' B' ' 31' ' ' SER . 9.8 t70 -122.8 -43.43 2.25 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 108.611 -0.885 . . . . 65.33 108.611 171.218 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 17' ' ' GLY . . . . . 0.509 ' O ' ' HG3' ' B' ' 29' ' ' LYS . . . -164.01 165.02 36.86 Favored Glycine 0 N--CA 1.446 -0.635 0 N-CA-C 111.24 -0.744 . . . . 74.22 111.24 166.819 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 18' ' ' ARG . . . . . 0.578 ' HA ' ' HA ' ' B' ' 29' ' ' LYS . 24.7 ttm180 -147.86 143.33 27.36 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 109.716 -0.476 . . . . 74.4 109.716 179.386 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 19' ' ' ALA . . . . . 0.424 ' HB3' ' HB1' ' A' ' 52' ' ' ALA . . . -134.02 123.71 25.01 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.666 -0.494 . . . . 64.31 109.666 -179.861 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 20' ' ' THR . . . . . 0.473 ' HB ' HG23 ' B' ' 10' ' ' THR . 33.4 m -133.67 115.31 14.47 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.28 -0.418 . . . . 75.11 110.515 -177.257 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 21' ' ' SER . . . . . 0.476 ' HB3' ' N ' ' B' ' 26' ' ' LEU . 32.2 t -72.62 107.15 4.96 Favored 'General case' 0 C--O 1.244 0.809 0 N-CA-C 106.976 -1.49 . . . . 74.21 106.976 174.743 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 22' ' ' HIS . . . . . 0.555 ' H ' ' HA ' ' B' ' 9' ' ' ALA . 0.0 OUTLIER -55.41 -20.43 12.2 Favored 'General case' 0 N--CA 1.469 0.492 0 O-C-N 125.345 1.653 . . . . 73.12 112.249 -165.933 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . 0.518 ' HB2' ' HE2' ' B' ' 25' ' ' LYS . 3.4 m-20 -80.32 18.63 0.86 Allowed 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.583 -0.525 . . . . 63.54 109.583 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 24' ' ' GLN . . . . . 0.453 ' H ' ' C ' ' B' ' 22' ' ' HIS . 27.1 mm-40 64.16 20.39 12.16 Favored 'General case' 0 C--N 1.342 0.26 0 CA-C-N 115.386 -0.824 . . . . 71.43 110.131 -179.426 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . 0.518 ' HE2' ' HB2' ' B' ' 23' ' ' ASP . 51.2 mtmt -84.65 -24.79 28.89 Favored 'General case' 0 N--CA 1.455 -0.202 0 CA-C-N 115.458 -0.792 . . . . 41.25 110.835 179.566 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . 0.476 ' N ' ' HB3' ' B' ' 21' ' ' SER . 53.2 tp -151.31 145.39 25.29 Favored 'General case' 0 C--O 1.222 -0.382 0 C-N-CA 120.604 -0.438 . . . . 73.34 110.986 178.732 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -158.09 95.3 1.37 Allowed 'General case' 0 C--O 1.235 0.319 0 O-C-N 123.645 0.591 . . . . 53.33 109.588 174.193 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 5.2 m -142.31 175.78 4.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 121.323 0.582 . . . . 74.12 111.383 178.739 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . 0.735 ' HB3' ' HZ3' ' B' ' 29' ' ' LYS . 3.0 ttpm? -127.82 141.03 51.68 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.17 -0.923 . . . . 74.12 109.884 -178.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . 0.645 ' HA ' ' H ' ' B' ' 44' ' ' THR . 0.0 OUTLIER -123.64 166.11 16.05 Favored 'General case' 0 C--O 1.252 1.222 0 CA-C-N 116.28 -0.418 . . . . 72.32 110.023 178.078 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 31' ' ' SER . . . . . 0.46 ' OG ' ' HB3' ' B' ' 41' ' ' ALA . 24.4 m -154.26 131.32 11.0 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.778 -0.646 . . . . 62.35 111.06 -174.339 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -66.32 134.1 94.59 Favored Pre-proline 0 C--O 1.236 0.355 0 N-CA-C 109.518 -0.549 . . . . 75.13 109.518 173.39 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 33' ' ' PRO . . . . . 0.448 ' HG2' HD13 ' B' ' 36' ' ' LEU . 11.9 Cg_endo -55.85 118.93 5.78 Favored 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 122.363 2.042 . . . . 72.21 111.811 -176.828 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 34' ' ' ARG . . . . . 0.463 ' HG2' ' CA ' ' B' ' 40' ' ' GLY . 0.1 OUTLIER -52.94 -24.54 9.54 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 115.962 -0.563 . . . . 71.43 110.263 -179.903 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -45.49 -39.79 7.69 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 115.046 -0.979 . . . . 72.42 111.755 178.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . 0.608 HD12 HD12 ' B' ' 85' ' ' ILE . 24.0 mt -98.84 17.13 20.21 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.331 -0.849 . . . . 63.52 111.035 -170.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 78.87 43.98 10.67 Favored Glycine 0 N--CA 1.449 -0.436 0 CA-C-N 115.769 -0.651 . . . . 51.22 112.099 -179.616 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -91.41 -135.67 6.68 Favored Glycine 0 N--CA 1.446 -0.664 0 C-N-CA 120.719 -0.753 . . . . 64.12 111.382 179.191 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -105.47 -51.75 2.95 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.779 0.323 . . . . 71.25 110.662 -178.278 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 40' ' ' GLY . . . . . 0.463 ' CA ' ' HG2' ' B' ' 34' ' ' ARG . . . 97.47 102.59 2.16 Favored Glycine 0 C--N 1.331 0.29 0 C-N-CA 121.29 -0.481 . . . . 53.13 112.575 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . 0.46 ' HB3' ' OG ' ' B' ' 31' ' ' SER . . . -160.28 165.63 31.0 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 110.222 -0.288 . . . . 75.21 110.222 175.809 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -80.04 74.47 6.82 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-O 121.779 0.8 . . . . 74.14 110.761 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -134.57 -173.48 13.14 Favored Glycine 0 N--CA 1.45 -0.424 0 CA-C-N 114.894 -1.048 . . . . 72.12 111.892 176.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 44' ' ' THR . . . . . 0.645 ' H ' ' HA ' ' B' ' 30' ' ' LEU . 24.8 m -101.1 150.77 22.58 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 110.329 -0.249 . . . . 70.51 110.329 -179.219 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 15.9 m120 -59.52 116.48 16.66 Favored Pre-proline 0 CA--C 1.53 0.206 0 O-C-N 123.278 0.361 . . . . 71.14 110.348 175.708 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 46' ' ' PRO . . . . . . . . . . . . . 8.6 Cg_endo -52.11 -39.43 70.69 Favored 'Trans proline' 0 C--O 1.241 0.668 0 C-N-CA 122.484 2.122 . . . . 54.41 111.528 174.019 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -55.88 -49.12 74.25 Favored 'General case' 0 C--O 1.238 0.459 0 N-CA-C 108.633 -0.877 . . . . 73.03 108.633 175.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . 0.496 ' NE2' ' HB3' ' A' ' 9' ' ' ALA . 18.4 tp60 -67.48 -31.18 71.15 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 114.308 -1.315 . . . . 65.22 110.867 -179.197 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 49' ' ' LEU . . . . . 0.425 HD13 ' HA3' ' A' ' 53' ' ' GLY . 2.7 tm? -62.84 -51.23 67.81 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.143 -0.688 . . . . 73.15 109.143 -179.204 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 50.7 t80 -61.88 -44.1 97.51 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.157 -0.474 . . . . 74.53 110.513 175.439 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -53.18 -52.03 60.13 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 116.216 -0.447 . . . . 63.22 111.569 178.519 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -66.29 -46.03 78.38 Favored 'General case' 0 C--O 1.238 0.479 0 CA-C-O 121.193 0.521 . . . . 74.31 110.823 -177.145 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . 0.474 ' HA3' HD12 ' A' ' 49' ' ' LEU . . . -61.45 -35.48 91.1 Favored Glycine 0 N--CA 1.449 -0.485 0 CA-C-N 115.678 -0.692 . . . . 73.22 111.803 178.118 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 54' ' ' TYR . . . . . 0.816 ' HA ' ' SG ' ' B' ' 57' ' ' CYS . 2.9 t80 -75.13 -43.34 53.16 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 122.213 0.205 . . . . 73.43 110.702 -179.004 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 55' ' ' SER . . . . . 0.623 ' HB3' ' HB1' ' B' ' 81' ' ' ALA . 58.0 p -62.93 -39.58 95.02 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.869 -0.419 . . . . 71.55 109.869 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 56' ' ' ALA . . . . . 0.495 ' HB3' HD22 ' A' ' 30' ' ' LEU . . . -70.18 -49.26 52.17 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 115.813 -0.631 . . . . 72.32 111.006 177.221 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 57' ' ' CYS . . . . . 0.816 ' SG ' ' HA ' ' B' ' 54' ' ' TYR . 18.9 p -60.28 -36.19 77.27 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 120.897 0.38 . . . . 72.4 110.237 -179.596 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 58' ' ' PHE . . . . . 0.405 ' N ' ' HG ' ' B' ' 57' ' ' CYS . 52.1 t80 -54.96 -32.84 61.85 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 115.924 -0.58 . . . . 61.11 110.217 -179.159 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -68.08 -44.42 76.29 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.301 -0.629 . . . . 73.31 109.301 177.579 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 60' ' ' SER . . . . . 0.45 ' HA ' ' HE2' ' B' ' 63' ' ' LYS . 3.8 m -62.0 -46.23 90.12 Favored 'General case' 0 C--O 1.242 0.672 0 CA-C-O 121.728 0.775 . . . . 73.23 110.139 177.36 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 61' ' ' ALA . . . . . 0.488 ' HB3' ' SG ' ' B' ' 122' ' ' CYS . . . -57.91 -48.26 80.4 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 115.12 -0.945 . . . . 44.1 110.145 178.659 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 62' ' ' MET . . . . . 0.53 ' HA ' ' HB ' ' B' ' 65' ' ' VAL . 18.8 mtp -69.08 -26.79 65.12 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.388 -0.369 . . . . 71.0 110.972 178.615 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . 0.45 ' HE2' ' HA ' ' B' ' 60' ' ' SER . 16.3 ttmm -60.36 -45.94 91.71 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 108.754 -0.832 . . . . 72.03 108.754 175.658 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 48.9 t80 -71.28 -46.37 61.01 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 115.303 -0.862 . . . . 73.11 110.895 176.158 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 65' ' ' VAL . . . . . 0.53 ' HB ' ' HA ' ' B' ' 62' ' ' MET . 41.1 t -57.51 -45.34 85.93 Favored 'Isoleucine or valine' 0 C--O 1.236 0.383 0 CA-C-N 115.836 -0.62 . . . . 75.05 111.42 -176.829 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -56.05 -33.44 64.99 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.105 0.479 . . . . 74.13 110.508 179.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -70.59 -32.27 67.6 Favored Glycine 0 N--CA 1.452 -0.258 0 CA-C-N 115.429 -0.805 . . . . 75.04 112.453 -177.16 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 12.8 pt20 -95.47 -13.95 24.13 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.122 0.487 . . . . 64.5 109.704 -178.151 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 69' ' ' ASN . . . . . 0.462 ' ND2' HG12 ' B' ' 65' ' ' VAL . 17.6 m-80 -97.94 5.24 49.13 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.545 -0.752 . . . . 65.21 111.69 178.815 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 64.58 26.23 13.25 Favored 'General case' 0 N--CA 1.47 0.525 0 CA-C-N 115.862 -0.608 . . . . 73.12 111.521 172.769 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -122.08 166.7 14.11 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.003 -0.544 . . . . 74.24 110.441 -178.762 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 28.1 p -125.97 139.48 53.41 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.011 -0.54 . . . . 74.12 110.135 -179.635 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 73' ' ' LEU . . . . . 0.41 HD12 ' HE1' ' B' ' 62' ' ' MET . 94.4 mt -109.7 137.9 20.51 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.4 -0.363 . . . . 75.15 110.892 179.688 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 74' ' ' PRO . . . . . 0.671 ' HD2' HD13 ' B' ' 103' ' ' LEU . 22.8 Cg_exo -66.79 142.75 64.52 Favored 'Trans proline' 0 C--N 1.349 0.605 0 C-N-CA 122.767 2.311 . . . . 74.32 111.973 172.566 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -74.67 -24.33 58.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.429 0.633 . . . . 71.53 111.706 -178.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -80.8 23.98 0.51 Allowed 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.33 -0.85 . . . . 60.22 111.692 -171.477 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 77' ' ' THR . . . . . 0.506 ' HB ' HD12 ' B' ' 103' ' ' LEU . 9.7 t -89.58 173.12 8.49 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 112.669 0.618 . . . . 73.25 112.669 -174.673 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 78' ' ' THR . . . . . 0.57 HG23 ' HA ' ' A' ' 12' ' ' THR . 0.9 OUTLIER -153.48 149.34 27.61 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 114.939 -1.028 . . . . 71.23 109.855 179.891 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 78.3 t -135.83 124.49 38.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 N-CA-C 109.559 -0.534 . . . . 54.24 109.559 177.234 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 80' ' ' THR . . . . . 0.512 ' HB ' ' HB3' ' B' ' 100' ' ' ARG . 27.3 m -111.03 113.85 26.7 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 120.801 0.334 . . . . 75.2 111.239 -176.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 81' ' ' ALA . . . . . 0.623 ' HB1' ' HB3' ' B' ' 55' ' ' SER . . . -93.23 108.61 20.2 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.821 0.343 . . . . 73.43 110.176 177.06 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 82' ' ' GLU . . . . . 0.501 ' HA ' ' HA ' ' A' ' 8' ' ' ALA . 44.4 tt0 -106.92 107.57 18.65 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.182 -0.673 . . . . 71.23 109.182 179.715 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . 0.466 HG12 HG11 ' B' ' 97' ' ' VAL . 21.4 m -110.96 145.28 17.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 120.993 0.425 . . . . 71.44 111.273 -174.73 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 84' ' ' GLY . . . . . . . . . . . . . . . -136.35 157.24 23.44 Favored Glycine 0 N--CA 1.443 -0.878 0 CA-C-N 115.695 -0.684 . . . . 52.45 111.593 178.628 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 85' ' ' ILE . . . . . 0.608 HD12 HD12 ' B' ' 36' ' ' LEU . 0.0 OUTLIER -134.84 130.82 52.91 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.877 0 N-CA-C 108.94 -0.763 . . . . 73.1 108.94 -179.452 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 86' ' ' GLY . . . . . 0.484 ' HA2' ' HG ' ' A' ' 4' ' ' LEU . . . -139.7 170.19 24.32 Favored Glycine 0 CA--C 1.516 0.105 0 O-C-N 123.993 0.808 . . . . 52.3 111.31 -177.41 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 87' ' ' PRO . . . . . 0.628 ' HD3' ' HG ' ' A' ' 4' ' ' LEU . 74.2 Cg_endo -72.07 141.43 36.36 Favored 'Trans proline' 0 N--CA 1.461 -0.414 0 C-N-CA 122.242 1.962 . . . . 70.05 111.863 -176.558 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 88' ' ' ASN . . . . . . . . . . . . . 47.6 t-20 -94.84 143.92 26.06 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 108.653 -0.869 . . . . 72.3 108.653 177.174 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -62.73 -18.26 62.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.976 0.417 . . . . 71.21 110.891 -177.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -67.41 -24.78 65.69 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 115.817 -0.628 . . . . 74.05 110.547 175.656 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.04 33.71 3.94 Favored Glycine 0 N--CA 1.45 -0.381 0 N-CA-C 111.233 -0.747 . . . . 72.2 111.233 -173.537 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . -140.37 -142.2 4.14 Favored Glycine 0 N--CA 1.451 -0.323 0 N-CA-C 111.288 -0.725 . . . . 70.13 111.288 -179.356 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 93' ' ' PHE . . . . . 0.566 ' CD2' HD13 ' B' ' 85' ' ' ILE . 19.2 m-85 -113.61 157.39 22.17 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.131 0.491 . . . . 73.12 111.211 179.151 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -142.77 136.72 29.15 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.106 -0.952 . . . . 62.21 108.947 177.642 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -102.87 143.46 32.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.176 0.513 . . . . 74.21 111.608 -175.011 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 96' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -132.15 110.46 10.68 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 114.778 -1.101 . . . . 73.53 108.698 178.329 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 97' ' ' VAL . . . . . 0.745 ' HB ' HG23 ' B' ' 134' ' ' VAL . 61.0 t -110.27 110.77 33.4 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.026 0 CA-C-O 120.736 0.303 . . . . 65.34 111.022 -177.069 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 98' ' ' GLU . . . . . 0.525 ' HG2' ' HB2' ' B' ' 135' ' ' ARG . 40.8 mt-10 -98.33 105.5 17.65 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.481 -0.562 . . . . 74.42 109.481 174.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 14.6 tp -94.0 111.42 23.13 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.308 -0.627 . . . . 75.14 109.308 -177.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 100' ' ' ARG . . . . . 0.57 ' HA ' ' O ' ' B' ' 137' ' ' VAL . 59.1 ttt180 -99.16 131.1 45.44 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.699 -0.682 . . . . 70.24 110.016 -175.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 101' ' ' VAL . . . . . . . . . . . . . 93.1 t -117.06 129.35 73.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.475 -0.329 . . . . 60.12 110.856 -175.554 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -126.22 101.53 6.79 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-O 120.913 0.387 . . . . 53.32 110.186 174.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 103' ' ' LEU . . . . . 0.795 HD23 HD22 ' B' ' 106' ' ' LEU . 27.4 tp -115.76 118.58 38.66 Favored Pre-proline 0 C--N 1.329 -0.295 0 N-CA-C 109.056 -0.72 . . . . 72.24 109.056 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 104' ' ' PRO . . . . . 0.507 ' HD2' HD12 ' B' ' 103' ' ' LEU . 57.1 Cg_endo -68.81 146.51 66.32 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 122.554 2.17 . . . . 74.24 113.085 -174.218 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 105' ' ' GLY . . . . . . . . . . . . . . . 70.1 15.05 71.72 Favored Glycine 0 CA--C 1.518 0.237 0 CA-C-N 115.208 -0.906 . . . . 72.34 112.878 -178.643 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 106' ' ' LEU . . . . . 0.795 HD22 HD23 ' B' ' 103' ' ' LEU . 34.6 tp -119.17 140.81 49.56 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-O 120.824 0.345 . . . . 65.44 111.008 -176.85 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 107' ' ' ASP . . . . . 0.401 ' O ' ' HB2' ' B' ' 111' ' ' ALA . 1.2 t70 -76.71 164.86 25.47 Favored 'General case' 0 CA--C 1.512 -0.506 0 CA-C-N 116.056 -0.52 . . . . 63.12 110.9 178.309 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 108' ' ' ALA . . . . . 0.466 ' O ' ' HG3' ' B' ' 112' ' ' LYS . . . -68.64 -45.59 71.42 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.475 -0.784 . . . . 74.55 109.947 170.416 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -61.16 -47.0 88.22 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 115.645 -0.707 . . . . 64.51 110.727 -176.471 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 110' ' ' ALA . . . . . 0.498 ' O ' HG22 ' B' ' 113' ' ' THR . . . -71.34 -41.42 69.83 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-N 115.699 -0.682 . . . . 72.03 110.194 178.804 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 111' ' ' ALA . . . . . 0.526 ' HA ' HD23 ' B' ' 106' ' ' LEU . . . -54.51 -41.86 70.13 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-N 116.049 -0.523 . . . . 64.14 111.454 178.857 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 112' ' ' LYS . . . . . 0.466 ' HG3' ' O ' ' B' ' 108' ' ' ALA . 28.3 mtpp -52.93 -43.83 66.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.461 -0.336 . . . . 74.45 111.548 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 113' ' ' THR . . . . . 0.498 HG22 ' O ' ' B' ' 110' ' ' ALA . 1.5 t -78.72 -37.64 40.95 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 120.874 -0.33 . . . . 72.03 110.727 -177.613 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 38.5 mt -63.22 -45.9 89.49 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-O 120.956 0.408 . . . . 72.05 110.073 -179.784 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 115' ' ' VAL . . . . . 0.409 HG21 HG13 ' B' ' 138' ' ' VAL . 88.9 t -64.79 -39.12 84.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.749 -0.66 . . . . 63.55 110.029 176.825 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -55.94 -59.28 5.12 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-O 120.907 0.384 . . . . 75.43 110.945 179.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 117' ' ' ARG . . . . . . . . . . . . . 14.5 ptm180 -63.23 -44.73 94.43 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.749 -0.659 . . . . 70.2 111.034 -177.222 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -62.35 -36.48 82.35 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-O 121.391 0.615 . . . . 61.11 110.629 178.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 28.7 t60 -84.04 2.35 39.57 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.457 -0.792 . . . . 74.31 110.208 -178.788 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 57.8 t-80 -108.48 -37.56 5.92 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 120.528 0.204 . . . . 73.32 111.045 178.495 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 30.8 m -79.88 -36.12 16.81 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.319 0 N-CA-C 112.261 0.467 . . . . 73.14 112.261 -175.261 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 122' ' ' CYS . . . . . 0.488 ' SG ' ' HB3' ' B' ' 61' ' ' ALA . 70.0 m -71.34 137.77 83.97 Favored Pre-proline 0 CA--C 1.535 0.387 0 CA-C-N 116.711 -0.222 . . . . 74.53 110.798 -177.256 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 123' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_exo -50.68 -61.24 0.59 Allowed 'Trans proline' 0 C--N 1.355 0.911 0 C-N-CA 123.326 2.684 . . . . 65.25 113.059 -176.262 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 124' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 . . . . . 0 N--CA 1.467 0.395 0 CA-C-O 121.209 0.528 . . . . 65.35 110.401 179.706 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 128' ' ' THR . . . . . 0.469 ' HA ' ' HB ' ' B' ' 132' ' ' VAL . 2.1 t . . . . . 0 C--O 1.224 -0.268 0 CA-C-O 120.827 0.346 . . . . 64.4 110.626 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 129' ' ' ARG . . . . . . . . . . . . . 16.6 ptm180 -110.17 -48.47 3.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.465 0.65 . . . . 75.21 109.981 179.3 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 130' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -79.03 -34.38 43.94 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.452 -0.794 . . . . 74.14 110.935 179.182 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 131' ' ' ASN . . . . . 0.636 HD22 ' HB3' ' A' ' 126' ' ' ASN . 8.1 t-20 -96.6 -40.93 8.78 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.847 -0.615 . . . . 75.43 111.079 -176.596 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 132' ' ' VAL . . . . . 0.475 HG12 ' N ' ' B' ' 133' ' ' ALA . 22.6 t -115.47 167.86 7.74 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.489 0 CA-C-N 116.138 -0.483 . . . . 62.31 110.376 -174.121 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 133' ' ' ALA . . . . . 0.475 ' N ' HG12 ' B' ' 132' ' ' VAL . . . -95.57 97.31 9.66 Favored 'General case' 0 C--O 1.242 0.674 0 CA-C-O 121.514 0.674 . . . . 72.23 112.036 -176.727 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 134' ' ' VAL . . . . . 0.745 HG23 ' HB ' ' B' ' 97' ' ' VAL . 72.6 t -122.71 115.46 45.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.12 -0.946 . . . . 64.53 111.386 177.293 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 135' ' ' ARG . . . . . 0.525 ' HB2' ' HG2' ' B' ' 98' ' ' GLU . 17.2 mtp180 -82.29 122.29 27.75 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.371 -0.831 . . . . 74.32 109.296 173.456 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 51.0 mt -91.97 113.21 25.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.03 0.443 . . . . 72.41 110.935 -178.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 137' ' ' VAL . . . . . 0.57 ' O ' ' HA ' ' B' ' 100' ' ' ARG . 0.2 OUTLIER -117.94 114.22 44.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.472 -0.785 . . . . 74.23 110.401 -179.345 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 138' ' ' VAL . . . . . 0.409 HG13 HG21 ' B' ' 115' ' ' VAL . 4.0 m -98.78 138.57 22.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.812 -0.631 . . . . 70.52 110.188 -179.26 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 139' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.188 0 CA-C-N 115.425 -0.807 . . . . 71.35 111.272 -174.869 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.484 ' HE3' ' HA3' ' B' ' 86' ' ' GLY . 15.7 ptt? . . . . . 0 N--CA 1.485 1.278 0 CA-C-O 120.538 0.209 . . . . 71.43 110.634 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 57.0 t30 -73.19 79.95 1.29 Allowed 'General case' 0 CA--C 1.53 0.212 0 CA-C-O 121.461 0.648 . . . . 75.52 110.659 176.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.513 HG21 ' HB2' ' A' ' 6' ' ' LYS . 33.8 mm -73.08 136.93 24.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 115.294 -0.866 . . . . 51.02 111.673 176.779 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.7 ' HG ' ' HD3' ' B' ' 87' ' ' PRO . 87.6 mt -85.19 -46.95 10.59 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.93 -0.577 . . . . 74.21 110.244 176.154 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 44.2 t80 -132.07 128.41 38.15 Favored 'General case' 0 C--O 1.222 -0.384 0 N-CA-C 110.084 -0.339 . . . . 73.42 110.084 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.523 ' HG3' ' O ' ' B' ' 83' ' ' VAL . 29.4 ttmt -137.79 146.59 43.74 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.087 0.47 . . . . 62.42 111.342 179.678 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 4.9 t -144.11 158.89 43.45 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 115.264 -0.88 . . . . 73.02 109.313 178.34 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -123.25 149.14 45.12 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 121.071 0.462 . . . . 64.34 111.851 -175.517 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.614 ' HA ' ' H ' ' A' ' 22' ' ' HIS . . . -138.33 122.4 17.95 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.863 -0.608 . . . . 73.03 110.288 176.8 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 44.1 m -101.5 119.55 38.94 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.322 -0.399 . . . . 73.43 110.53 -178.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 34.4 p -121.08 115.45 23.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.773 0.32 . . . . 74.42 111.138 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 16.7 m -98.65 160.2 14.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 72.12 110.224 177.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -102.44 63.18 0.47 Allowed Glycine 0 N--CA 1.451 -0.338 0 N-CA-C 111.612 -0.595 . . . . 62.44 111.612 177.499 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -55.35 -90.51 0.01 OUTLIER Glycine 0 C--N 1.339 0.7 0 C-N-CA 121.425 -0.417 . . . . 62.02 113.14 -176.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.418 ' HA ' ' NE ' ' A' ' 15' ' ' ARG . 7.4 tpm_? -88.89 -55.08 3.84 Favored 'General case' 0 C--O 1.235 0.294 0 O-C-N 122.396 -0.473 . . . . 73.04 110.276 177.681 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.427 ' HB3' ' HA ' ' A' ' 31' ' ' SER . 18.1 t70 -126.2 -43.39 1.8 Allowed 'General case' 0 N--CA 1.465 0.297 0 C-N-CA 120.939 -0.304 . . . . 74.22 110.223 170.889 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -169.14 161.66 35.3 Favored Glycine 0 C--N 1.338 0.692 0 C-N-CA 120.716 -0.754 . . . . 73.12 111.67 162.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.55 ' HA ' ' HA ' ' A' ' 29' ' ' LYS . 3.8 tmm_? -149.59 122.96 9.02 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.607 -0.516 . . . . 73.24 109.607 -178.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.558 ' HB1' ' HB2' ' B' ' 56' ' ' ALA . . . -117.67 124.1 47.72 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.892 0.377 . . . . 71.12 110.908 -176.409 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 28.6 m -130.68 111.76 12.48 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.855 -0.611 . . . . 65.23 109.569 179.022 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.545 ' HB3' ' N ' ' A' ' 26' ' ' LEU . 46.0 t -67.84 110.71 3.94 Favored 'General case' 0 C--O 1.247 0.951 0 N-CA-C 108.004 -1.11 . . . . 62.3 108.004 177.325 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.614 ' H ' ' HA ' ' A' ' 9' ' ' ALA . 10.0 t-80 -48.49 -40.07 25.31 Favored 'General case' 0 N--CA 1.468 0.45 0 O-C-N 126.016 2.072 . . . . 71.44 113.492 -164.637 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -80.32 26.19 0.37 Allowed 'General case' 0 C--N 1.318 -0.77 0 CA-C-O 121.101 0.477 . . . . 73.43 110.467 -175.009 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.465 ' H ' ' C ' ' A' ' 22' ' ' HIS . 30.1 mm-40 66.59 28.21 9.34 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.266 -0.879 . . . . 72.53 109.921 176.638 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.491 ' HB2' ' OG ' ' A' ' 21' ' ' SER . 73.8 mmtt -86.28 -30.97 21.88 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.048 -0.978 . . . . 73.44 110.0 179.415 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.545 ' N ' ' HB3' ' A' ' 21' ' ' SER . 38.5 tp -153.79 150.69 28.73 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 120.308 -0.557 . . . . 74.42 111.554 -177.431 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -154.88 100.87 2.24 Favored 'General case' 0 C--O 1.234 0.266 0 O-C-N 123.46 0.475 . . . . 74.5 110.391 173.189 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 4.7 m -144.92 176.32 2.27 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.267 0 CA-C-O 121.397 0.617 . . . . 62.12 111.353 177.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.55 ' HA ' ' HA ' ' A' ' 18' ' ' ARG . 9.0 tttp -131.53 143.31 50.29 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.206 -0.907 . . . . 62.42 109.776 -179.594 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.748 ' HA ' ' H ' ' A' ' 44' ' ' THR . 0.0 OUTLIER -127.0 160.44 31.08 Favored 'General case' 0 C--O 1.259 1.567 0 CA-C-O 121.448 0.642 . . . . 73.21 110.942 177.554 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.427 ' HA ' ' HB3' ' A' ' 16' ' ' ASP . 60.0 m -157.73 127.01 5.86 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 114.631 -1.168 . . . . 75.34 110.819 -173.686 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.53 141.4 94.69 Favored Pre-proline 0 C--O 1.238 0.452 0 CA-C-N 116.004 -0.544 . . . . 52.21 111.102 178.56 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_endo -63.21 128.05 21.73 Favored 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 122.741 2.294 . . . . 73.33 112.056 -178.499 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.568 ' HB2' ' CA ' ' A' ' 40' ' ' GLY . 7.0 tpt180 -66.22 -16.48 64.04 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 115.958 -0.564 . . . . 64.52 110.365 -179.218 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -43.95 -51.03 7.95 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 115.336 -0.847 . . . . 75.14 111.928 -175.622 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 41.4 mt -98.01 -41.65 7.87 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.595 -0.73 . . . . 73.53 110.271 -175.003 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 166.28 45.47 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.361 0 CA-C-N 115.654 -0.703 . . . . 72.22 111.613 178.264 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -100.75 -134.09 8.39 Favored Glycine 0 C--N 1.331 0.3 0 C-N-CA 120.896 -0.669 . . . . 73.44 112.042 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -114.36 -27.68 7.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.454 0.169 . . . . 63.22 111.431 -177.559 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.568 ' CA ' ' HB2' ' A' ' 34' ' ' ARG . . . 60.52 34.17 84.61 Favored Glycine 0 C--N 1.333 0.368 0 C-N-CA 121.307 -0.473 . . . . 45.53 112.886 -175.589 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -96.36 158.75 15.29 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 110.409 -0.219 . . . . 51.12 110.409 -179.764 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.455 ' O ' ' HE3' ' A' ' 29' ' ' LYS . 10.3 pt-20 -66.17 79.32 0.09 Allowed 'General case' 0 CA--C 1.532 0.28 0 CA-C-O 121.822 0.82 . . . . 71.23 110.734 177.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -145.04 -173.83 16.69 Favored Glycine 0 N--CA 1.45 -0.428 0 CA-C-N 115.153 -0.93 . . . . 55.55 111.873 178.788 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.748 ' H ' ' HA ' ' A' ' 30' ' ' LEU . 25.6 m -104.65 159.23 15.94 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 110.37 -0.233 . . . . 74.01 110.37 -179.509 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.468 HD21 HG22 ' B' ' 7' ' ' THR . 94.7 m-20 -80.19 121.73 82.12 Favored Pre-proline 0 C--O 1.237 0.427 0 N-CA-C 109.735 -0.468 . . . . 72.33 109.735 173.587 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_exo -57.68 -46.12 28.95 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.703 2.269 . . . . 63.04 111.785 179.461 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -58.39 -36.16 73.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.435 -0.802 . . . . 62.13 110.26 179.156 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.416 ' HA ' HG11 ' A' ' 83' ' ' VAL . 1.0 OUTLIER -65.99 -39.02 89.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.733 -0.667 . . . . 74.41 109.652 177.26 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.522 HD11 ' HA3' ' B' ' 53' ' ' GLY . 1.8 tm? -64.47 -42.76 95.73 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.47 -0.567 . . . . 71.11 109.47 -178.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 58.0 t80 -65.41 -45.42 84.03 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 116.416 -0.356 . . . . 65.21 110.836 176.68 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.14 -49.87 76.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.012 0.434 . . . . 52.03 110.865 179.198 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.608 ' HB3' ' HB3' ' B' ' 19' ' ' ALA . . . -64.59 -40.83 96.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.888 -0.596 . . . . 73.32 110.496 179.602 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.411 ' O ' ' SG ' ' A' ' 57' ' ' CYS . . . -65.16 -41.46 96.94 Favored Glycine 0 N--CA 1.45 -0.415 0 CA-C-N 115.798 -0.637 . . . . 45.35 112.399 178.404 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -66.26 -45.44 80.53 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 110.002 -0.37 . . . . 74.55 110.002 -179.224 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.457 ' HB3' ' HB1' ' A' ' 81' ' ' ALA . 17.6 p -63.45 -46.57 85.63 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.298 -0.41 . . . . 73.1 110.325 178.502 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.492 ' HB2' HD23 ' B' ' 30' ' ' LEU . . . -59.95 -45.71 91.76 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 116.27 -0.423 . . . . 72.41 110.632 177.645 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.411 ' SG ' ' O ' ' A' ' 53' ' ' GLY . 84.7 m -58.85 -36.39 74.49 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.926 -0.579 . . . . 74.4 110.349 177.204 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -57.18 -38.15 73.2 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 116.009 -0.541 . . . . 74.24 109.925 179.77 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.416 ' O ' ' HB2' ' A' ' 63' ' ' LYS . 4.2 mm? -69.01 -36.95 78.36 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 116.22 -0.445 . . . . 74.12 110.918 177.624 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 19.5 m -68.1 -45.82 72.66 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-O 120.842 0.353 . . . . 74.4 110.473 178.648 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.11 -51.15 60.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.078 -0.51 . . . . 64.15 110.524 -179.427 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' MET . . . . . 0.49 ' HE1' ' HA ' ' A' ' 62' ' ' MET . 5.7 tpt -57.31 -32.5 66.74 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 115.903 -0.59 . . . . 61.32 110.052 178.352 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.589 ' HB2' ' HZ2' ' A' ' 63' ' ' LYS . 4.0 ttmp? -68.74 -48.94 62.51 Favored 'General case' 0 CA--C 1.529 0.15 0 CA-C-N 115.752 -0.658 . . . . 62.32 110.368 178.628 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 56.0 t80 -60.66 -41.22 94.58 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 116.226 -0.443 . . . . 70.35 110.055 179.217 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 53.9 t -56.32 -52.01 56.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 115.928 -0.578 . . . . 51.41 110.054 174.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -54.68 -35.57 63.71 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.962 -0.563 . . . . 55.45 110.243 177.311 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -68.51 -34.28 78.76 Favored Glycine 0 N--CA 1.449 -0.48 0 CA-C-N 115.197 -0.911 . . . . 65.01 112.194 -177.337 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 -93.15 -11.23 33.33 Favored 'General case' 0 C--N 1.332 -0.162 0 N-CA-C 108.965 -0.754 . . . . 73.33 108.965 -179.26 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -94.24 -0.64 54.97 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.045 -0.98 . . . . 73.35 110.733 176.402 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 3.1 mptp? 60.54 28.81 18.49 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 121.249 0.547 . . . . 70.5 111.391 177.755 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -123.07 162.42 22.46 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.517 -0.765 . . . . 65.11 110.308 179.036 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 17.6 p -126.06 138.1 53.68 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.92 -0.582 . . . . 71.13 109.722 177.199 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -109.19 147.3 35.68 Favored Pre-proline 0 C--N 1.326 -0.414 0 CA-C-N 116.533 -0.303 . . . . 64.52 110.488 -179.427 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_endo -56.07 126.62 23.0 Favored 'Trans proline' 0 C--N 1.35 0.646 0 C-N-CA 123.143 2.562 . . . . 75.32 112.74 -178.173 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -77.05 -1.74 30.49 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.322 0.582 . . . . 74.43 111.093 179.346 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -84.68 4.4 32.73 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.589 -0.732 . . . . 72.44 110.561 -179.682 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.505 ' HB ' HD11 ' A' ' 103' ' ' LEU . 10.2 t -79.63 167.41 20.73 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.599 -0.728 . . . . 74.0 112.203 -174.703 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -155.75 149.2 24.86 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 115.356 -0.838 . . . . 72.13 110.41 177.836 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 76.8 t -127.03 120.54 55.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 N-CA-C 109.184 -0.673 . . . . 73.54 109.184 174.026 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' THR . . . . . 0.404 ' HB ' ' HB3' ' A' ' 100' ' ' ARG . 20.7 m -98.14 113.95 26.01 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.901 -0.591 . . . . 61.0 110.15 -179.185 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.457 ' HB1' ' HB3' ' A' ' 55' ' ' SER . . . -101.62 106.45 17.51 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.107 -0.497 . . . . 75.0 110.012 179.403 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.57 ' HG2' ' HD3' ' B' ' 6' ' ' LYS . 42.5 tt0 -106.96 107.62 18.72 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.49 -0.559 . . . . 75.53 109.49 -179.056 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.416 HG11 ' HA ' ' A' ' 48' ' ' GLN . 7.7 p -105.56 139.08 27.82 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.336 0 CA-C-O 120.859 0.361 . . . . 74.25 110.985 -173.379 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . 0.445 ' HA2' ' HA ' ' B' ' 6' ' ' LYS . . . -140.24 175.32 22.02 Favored Glycine 0 N--CA 1.446 -0.636 0 CA-C-N 116.267 -0.424 . . . . 64.22 112.677 -178.536 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -147.61 135.53 14.68 Favored 'Isoleucine or valine' 0 C--O 1.241 0.632 0 N-CA-C 109.208 -0.664 . . . . 71.32 109.208 -178.858 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -147.96 169.8 28.68 Favored Glycine 0 C--O 1.229 -0.217 0 N-CA-C 110.762 -0.935 . . . . 64.2 110.762 179.209 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . 0.683 ' HD3' ' HG ' ' B' ' 4' ' ' LEU . 98.5 Cg_endo -79.49 140.84 15.37 Favored 'Trans proline' 0 N--CA 1.459 -0.524 0 C-N-CA 122.109 1.872 . . . . 75.13 112.287 -177.484 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . 0.401 ' HB2' ' HB2' ' A' ' 94' ' ' ALA . 45.9 t-20 -89.34 148.07 23.73 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 108.475 -0.935 . . . . 63.43 108.475 176.046 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.401 ' N ' ' OD1' ' A' ' 88' ' ' ASN . 13.4 pt-20 -61.41 -14.74 30.52 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.004 0.43 . . . . 74.31 111.077 -179.061 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -67.13 -22.56 65.78 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 115.856 -0.611 . . . . 62.35 110.651 175.051 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.15 21.88 9.16 Favored Glycine 0 N--CA 1.454 -0.142 0 CA-C-N 115.691 -0.686 . . . . 52.42 112.017 -179.118 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -129.82 -150.47 6.99 Favored Glycine 0 N--CA 1.451 -0.365 0 N-CA-C 111.185 -0.766 . . . . 74.12 111.185 178.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -107.59 158.76 16.97 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.189 0.519 . . . . 72.25 111.045 178.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . 0.401 ' HB2' ' HB2' ' A' ' 88' ' ' ASN . . . -144.48 128.93 17.97 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.215 -0.902 . . . . 73.43 108.807 178.912 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -97.29 141.31 30.55 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-O 121.133 0.492 . . . . 75.45 111.439 -175.568 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -133.16 150.81 52.0 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 114.901 -1.045 . . . . 62.1 109.061 -176.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.522 ' CG1' HG21 ' A' ' 134' ' ' VAL . 4.9 p -159.18 131.81 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-O 121.361 0.6 . . . . 41.42 110.939 174.24 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -103.75 121.41 42.94 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.184 -0.916 . . . . 52.25 109.918 -176.104 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 82.0 mt -101.09 106.48 17.75 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 109.713 -0.477 . . . . 73.33 109.713 176.026 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . 0.512 ' HA ' HG13 ' A' ' 137' ' ' VAL . 15.1 ttt180 -102.21 104.0 14.54 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.434 -0.803 . . . . 73.43 109.32 -177.025 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 55.1 t -99.46 97.25 5.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.592 0.234 . . . . 72.23 110.858 -169.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -93.04 101.36 13.69 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.372 -0.376 . . . . 73.1 110.248 179.602 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.892 HD21 HD21 ' A' ' 106' ' ' LEU . 28.0 tp -113.98 117.83 43.37 Favored Pre-proline 0 C--O 1.236 0.343 0 N-CA-C 108.657 -0.868 . . . . 73.31 108.657 178.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . 0.514 ' HD2' HD11 ' A' ' 103' ' ' LEU . 61.4 Cg_endo -74.23 151.06 43.13 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.691 2.261 . . . . 73.52 112.331 -175.661 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 69.94 15.41 71.64 Favored Glycine 0 CA--C 1.521 0.415 0 CA-C-N 115.784 -0.644 . . . . 54.45 112.608 -179.032 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.892 HD21 HD21 ' A' ' 103' ' ' LEU . 34.4 tp -119.94 142.66 48.53 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 122.694 0.397 . . . . 65.03 111.266 -176.42 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -77.86 164.97 24.69 Favored 'General case' 0 CA--C 1.513 -0.463 0 CA-C-N 116.095 -0.502 . . . . 72.42 110.821 178.219 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . 0.477 ' O ' ' HG3' ' A' ' 112' ' ' LYS . . . -68.81 -45.62 70.76 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.359 -0.837 . . . . 74.35 109.669 170.148 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -60.89 -46.24 91.42 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 115.516 -0.766 . . . . 64.13 111.049 -177.277 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . 0.604 ' O ' HG21 ' A' ' 113' ' ' THR . . . -71.46 -42.11 68.56 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.813 -0.63 . . . . 73.25 110.322 178.682 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . 0.518 ' HA ' HD22 ' A' ' 106' ' ' LEU . . . -54.66 -42.99 71.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.253 -0.43 . . . . 54.13 111.401 178.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . 0.477 ' HG3' ' O ' ' A' ' 108' ' ' ALA . 55.3 mtpt -56.86 -36.54 70.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.484 -0.326 . . . . 74.23 111.862 -178.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' THR . . . . . 0.604 HG21 ' O ' ' A' ' 110' ' ' ALA . 1.9 t -81.26 -38.19 27.28 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 120.919 -0.312 . . . . 74.22 110.267 -179.026 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.468 ' HG ' ' O ' ' A' ' 110' ' ' ALA . 54.7 mt -63.91 -49.1 73.99 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 116.397 -0.365 . . . . 61.01 110.685 -177.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . 0.494 HG21 HG12 ' A' ' 138' ' ' VAL . 85.3 t -64.58 -36.36 77.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 72.22 110.246 178.079 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -60.58 -52.86 63.36 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 116.118 -0.492 . . . . 65.51 110.872 -179.014 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . 0.438 ' HG2' ' O ' ' A' ' 113' ' ' THR . 15.4 ptm180 -69.69 -42.24 74.37 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-N 115.873 -0.603 . . . . 65.24 110.785 -177.153 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -59.99 -38.49 82.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.271 0.558 . . . . 63.41 110.199 176.694 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . 0.509 ' O ' ' SG ' ' A' ' 122' ' ' CYS . 43.8 t-80 -73.57 -24.79 60.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.645 -0.707 . . . . 74.13 110.268 177.007 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 34.7 t-80 -72.36 -37.05 68.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.054 -0.521 . . . . 75.14 110.142 178.1 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 28.0 m -92.16 1.85 8.66 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.414 0 CA-C-N 115.994 -0.548 . . . . 74.54 112.453 -178.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' CYS . . . . . 0.509 ' SG ' ' O ' ' A' ' 119' ' ' HIS . 21.1 p -72.13 131.42 85.31 Favored Pre-proline 0 CA--C 1.535 0.4 0 C-N-CA 121.09 -0.244 . . . . 72.12 110.388 -179.408 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' PRO . . . . . 0.448 ' HD3' ' HA ' ' A' ' 122' ' ' CYS . 12.4 Cg_exo -71.45 7.77 1.4 Allowed 'Trans proline' 0 C--N 1.353 0.774 0 C-N-CA 123.166 2.577 . . . . 75.04 113.597 -176.514 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 26.9 m-85 -113.75 33.44 5.18 Favored 'General case' 0 N--CA 1.468 0.434 0 N-CA-C 109.207 -0.664 . . . . 65.44 109.207 178.659 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' SER . . . . . 0.579 ' O ' HG22 ' A' ' 128' ' ' THR . 8.0 p -57.15 -61.2 2.63 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 115.84 -0.618 . . . . 65.33 112.567 -174.477 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' ASN . . . . . 0.507 ' HB2' ' HB2' ' B' ' 131' ' ' ASN . 18.9 m120 -58.5 -31.88 68.29 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-O 121.317 0.579 . . . . 73.42 109.915 178.782 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -80.71 6.08 13.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.352 -0.84 . . . . 54.1 112.033 -177.057 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' THR . . . . . 0.579 HG22 ' O ' ' A' ' 125' ' ' SER . 0.8 OUTLIER -109.87 -18.84 13.31 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.322 0.582 . . . . 73.21 110.112 -177.346 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 23.4 ptt180 -135.66 -48.54 0.69 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.717 -0.674 . . . . 72.04 112.089 -176.235 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 17.0 m120 -73.85 -38.63 64.43 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.203 -0.453 . . . . 71.52 111.884 -173.551 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 131' ' ' ASN . . . . . 0.485 HD22 ' HA ' ' B' ' 123' ' ' PRO . 0.2 OUTLIER -90.73 -40.55 11.78 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.713 -0.395 . . . . 72.12 110.722 -178.408 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 30.1 m -139.46 175.3 7.6 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.195 0 CA-C-O 120.758 0.313 . . . . 70.22 110.962 -176.737 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -107.73 97.13 6.89 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.304 0.573 . . . . 45.42 110.727 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . 0.522 HG21 ' CG1' ' A' ' 97' ' ' VAL . 28.5 t -94.83 120.17 43.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 115.557 -0.747 . . . . 75.02 110.512 175.003 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 34.1 mmt180 -95.47 127.18 41.29 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.515 -0.55 . . . . 74.34 109.515 177.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 45.6 mt -95.58 123.87 39.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.911 0.386 . . . . 50.04 111.403 -178.667 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . 0.512 HG13 ' HA ' ' A' ' 100' ' ' ARG . 0.2 OUTLIER -133.92 128.33 53.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.57 -0.741 . . . . 74.42 110.011 177.415 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . 0.494 HG12 HG21 ' A' ' 115' ' ' VAL . 3.9 m -101.94 139.23 23.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.047 -0.524 . . . . 71.15 109.921 -179.802 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.317 -0.836 0 CA-C-N 115.979 -0.555 . . . . 73.13 110.903 -175.82 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 28.6 ptm . . . . . 0 C--O 1.232 0.168 0 CA-C-O 121.218 0.532 . . . . 72.42 110.798 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 2' ' ' ASN . . . . . 0.476 ' O ' ' HD2' ' A' ' 87' ' ' PRO . 35.7 t30 -96.23 85.07 3.89 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.554 -0.748 . . . . 61.35 109.8 -179.658 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . 0.497 HG21 ' HB2' ' B' ' 6' ' ' LYS . 28.1 mm -70.83 122.93 23.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 116.073 -0.512 . . . . 72.42 111.393 179.353 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . 0.683 ' HG ' ' HD3' ' A' ' 87' ' ' PRO . 92.8 mt -83.64 -41.4 17.83 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.556 -0.747 . . . . 75.25 110.291 178.058 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 5' ' ' TYR . . . . . . . . . . . . . 49.8 t80 -140.69 133.23 28.59 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 116.102 -0.499 . . . . 75.45 110.197 -179.407 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . 0.57 ' HD3' ' HG2' ' A' ' 82' ' ' GLU . 30.7 ttmt -141.98 137.23 31.05 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.133 0.492 . . . . 65.01 110.882 177.657 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 7' ' ' THR . . . . . 0.468 HG22 HD21 ' A' ' 45' ' ' ASN . 7.0 t -129.69 137.76 50.78 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.384 -0.826 . . . . 73.02 109.065 -179.842 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . 0.449 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . . . -105.54 151.2 24.6 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.172 0.51 . . . . 64.22 111.549 -173.211 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . 0.417 ' HA ' ' H ' ' B' ' 22' ' ' HIS . . . -137.85 144.49 41.46 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.654 -0.703 . . . . 71.2 109.943 175.727 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 62.4 m -120.28 117.27 27.38 Favored 'General case' 0 N--CA 1.439 -1.008 0 N-CA-C 108.565 -0.902 . . . . 64.31 108.565 -178.194 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 70.6 m -116.0 114.77 25.05 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-N 115.793 -0.64 . . . . 74.14 110.969 -173.466 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 12' ' ' THR . . . . . 0.441 HG23 ' N ' ' B' ' 13' ' ' GLY . 15.8 m -98.93 164.35 12.23 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 116.004 -0.544 . . . . 73.24 111.079 -176.513 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 13' ' ' GLY . . . . . 0.441 ' N ' HG23 ' B' ' 12' ' ' THR . . . -94.34 74.42 1.05 Allowed Glycine 0 CA--C 1.519 0.328 0 N-CA-C 111.384 -0.686 . . . . 71.12 111.384 171.772 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -66.61 -95.82 0.03 OUTLIER Glycine 0 C--N 1.335 0.482 0 C-N-CA 121.072 -0.585 . . . . 73.4 112.403 179.141 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 8.1 mpt_? -88.2 -55.08 3.89 Favored 'General case' 0 N--CA 1.466 0.339 0 N-CA-C 109.329 -0.619 . . . . 65.14 109.329 174.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 16' ' ' ASP . . . . . 0.528 ' HB3' ' HA ' ' B' ' 31' ' ' SER . 20.2 t70 -125.68 -42.84 1.9 Allowed 'General case' 0 CA--C 1.514 -0.405 0 CA-C-N 115.748 -0.66 . . . . 65.33 109.469 172.591 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 17' ' ' GLY . . . . . 0.404 ' O ' ' HG3' ' B' ' 29' ' ' LYS . . . -161.31 160.67 32.38 Favored Glycine 0 N--CA 1.445 -0.706 0 CA-C-N 115.294 -0.866 . . . . 74.22 111.631 171.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 18' ' ' ARG . . . . . 0.605 ' HA ' ' HA ' ' B' ' 29' ' ' LYS . 51.1 ttt180 -139.09 151.68 46.91 Favored 'General case' 0 C--N 1.316 -0.852 0 N-CA-C 108.685 -0.857 . . . . 74.4 108.685 177.144 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 19' ' ' ALA . . . . . 0.608 ' HB3' ' HB3' ' A' ' 52' ' ' ALA . . . -142.65 123.79 14.55 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.788 -0.449 . . . . 64.31 109.788 178.711 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 56.5 m -132.82 110.62 10.47 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.53 -0.304 . . . . 75.11 110.535 -179.683 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 21' ' ' SER . . . . . 0.491 ' HB3' ' N ' ' B' ' 26' ' ' LEU . 43.6 t -64.27 107.1 1.23 Allowed 'General case' 0 C--O 1.247 0.928 0 N-CA-C 107.193 -1.41 . . . . 74.21 107.193 177.374 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 22' ' ' HIS . . . . . 0.417 ' H ' ' HA ' ' B' ' 9' ' ' ALA . 86.4 t60 -62.1 -10.99 11.77 Favored 'General case' 0 C--N 1.345 0.406 0 O-C-N 125.869 1.98 . . . . 73.12 111.749 -167.887 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . 0.462 ' HB3' ' HE3' ' B' ' 25' ' ' LYS . 1.3 m-20 -80.21 9.21 5.95 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.204 -0.665 . . . . 63.54 109.204 175.822 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 33.3 mm-40 71.48 17.45 5.71 Favored 'General case' 0 CA--C 1.518 -0.25 0 CA-C-N 115.095 -0.957 . . . . 71.43 109.907 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . 0.462 ' HE3' ' HB3' ' B' ' 23' ' ' ASP . 86.6 mttt -85.28 -27.87 25.7 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 115.131 -0.94 . . . . 41.25 111.747 -179.484 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . 0.491 ' N ' ' HB3' ' B' ' 21' ' ' SER . 39.9 tp -149.67 147.51 28.18 Favored 'General case' 0 CA--C 1.504 -0.797 0 C-N-CA 119.289 -0.964 . . . . 73.34 112.194 -176.449 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -154.96 100.75 2.22 Favored 'General case' 0 N--CA 1.442 -0.829 0 CA-C-N 115.089 -0.959 . . . . 53.33 109.901 177.296 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 3.1 m -144.9 178.04 1.61 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.407 0 CA-C-N 115.874 -0.603 . . . . 74.12 111.397 179.114 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . 0.726 ' HZ1' ' HB3' ' B' ' 29' ' ' LYS . 1.0 OUTLIER -141.57 143.13 33.57 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.341 -0.845 . . . . 74.12 109.816 -179.812 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . 0.671 ' HA ' ' H ' ' B' ' 44' ' ' THR . 0.0 OUTLIER -123.56 154.13 39.66 Favored 'General case' 0 C--O 1.246 0.873 0 CA-C-O 121.239 0.542 . . . . 72.32 110.787 179.058 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 31' ' ' SER . . . . . 0.528 ' HA ' ' HB3' ' B' ' 16' ' ' ASP . 66.2 m -162.87 118.18 1.78 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 114.726 -1.125 . . . . 62.35 109.774 -175.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.32 131.53 90.21 Favored Pre-proline 0 C--O 1.236 0.367 0 CA-C-N 116.097 -0.501 . . . . 75.13 110.408 178.233 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 33' ' ' PRO . . . . . 0.565 ' HD2' ' OD1' ' B' ' 45' ' ' ASN . 11.6 Cg_endo -55.2 151.56 35.0 Favored 'Trans proline' 0 C--N 1.35 0.619 0 C-N-CA 122.552 2.168 . . . . 72.21 111.152 176.621 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 42.7 tpt85 -80.28 -1.16 39.66 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.358 -0.383 . . . . 71.43 110.774 -175.736 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 45.8 mm-40 -42.1 -54.82 3.45 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 115.419 -0.81 . . . . 72.42 112.957 -176.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 6.1 mp -95.93 -51.19 4.57 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.287 0.565 . . . . 63.52 109.677 -178.586 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 178.3 40.15 0.06 OUTLIER Glycine 0 N--CA 1.448 -0.559 0 CA-C-N 115.504 -0.771 . . . . 51.22 111.733 178.499 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -88.79 -130.6 3.74 Favored Glycine 0 C--N 1.333 0.386 0 C-N-CA 120.628 -0.796 . . . . 64.12 111.977 179.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -123.74 -14.47 7.23 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.474 0.178 . . . . 71.25 111.22 179.745 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 51.65 40.55 48.36 Favored Glycine 0 C--N 1.334 0.432 0 C-N-CA 121.351 -0.452 . . . . 53.13 112.679 -176.115 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -104.57 172.15 6.95 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.047 0.451 . . . . 75.21 111.105 -177.151 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . 0.486 ' O ' ' HE2' ' B' ' 29' ' ' LYS . 10.1 pt-20 -70.93 76.88 0.64 Allowed 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 115.435 -0.802 . . . . 74.14 111.165 179.409 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -155.43 -175.57 26.61 Favored Glycine 0 CA--C 1.521 0.413 0 C-N-CA 120.967 -0.635 . . . . 72.12 113.26 177.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 44' ' ' THR . . . . . 0.671 ' H ' ' HA ' ' B' ' 30' ' ' LEU . 22.2 m -105.58 162.89 13.1 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 123.16 0.584 . . . . 70.51 110.232 178.311 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 45' ' ' ASN . . . . . 0.565 ' OD1' ' HD2' ' B' ' 33' ' ' PRO . 17.4 t30 -85.81 138.55 35.31 Favored Pre-proline 0 CA--C 1.541 0.609 0 N-CA-C 109.886 -0.412 . . . . 71.14 109.886 -178.613 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 46' ' ' PRO . . . . . 0.466 ' HD2' ' OD1' ' B' ' 45' ' ' ASN . 18.5 Cg_endo -56.49 -57.0 1.61 Allowed 'Trans proline' 0 C--N 1.352 0.761 0 C-N-CA 123.422 2.748 . . . . 54.41 114.331 -172.605 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.08 -30.41 71.36 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 120.9 0.381 . . . . 73.03 110.353 -174.246 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -65.27 -41.89 93.77 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 109.234 -0.654 . . . . 65.22 109.234 175.087 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -59.91 -51.48 69.51 Favored 'General case' 0 C--O 1.239 0.502 0 CA-C-N 115.628 -0.714 . . . . 73.15 109.616 179.495 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 38.7 t80 -60.05 -44.73 94.49 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 116.427 -0.351 . . . . 74.53 110.611 177.302 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . 0.552 ' HB1' HG11 ' B' ' 83' ' ' VAL . . . -56.19 -50.11 72.14 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 116.42 -0.354 . . . . 63.22 111.22 179.525 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.26 -50.64 72.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.087 -0.506 . . . . 74.31 111.089 -179.766 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . 0.522 ' HA3' HD11 ' A' ' 49' ' ' LEU . . . -61.66 -45.1 96.99 Favored Glycine 0 C--N 1.332 0.346 0 C-N-CA 120.937 -0.649 . . . . 73.22 112.325 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -61.11 -53.22 59.75 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 122.825 0.45 . . . . 73.43 110.549 178.519 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 55' ' ' SER . . . . . 0.479 ' OG ' ' HB1' ' B' ' 81' ' ' ALA . 54.2 m -57.7 -48.42 79.61 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.684 0.278 . . . . 71.55 110.545 -178.291 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 56' ' ' ALA . . . . . 0.558 ' HB2' ' HB1' ' A' ' 19' ' ' ALA . . . -59.42 -41.22 89.03 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-O 120.982 0.42 . . . . 72.32 110.638 177.662 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 57' ' ' CYS . . . . . . . . . . . . . 39.2 t -62.88 -36.65 84.0 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.725 -0.67 . . . . 72.4 110.221 176.796 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 48.3 t80 -60.57 -40.2 90.82 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.059 -0.519 . . . . 61.11 110.313 -176.379 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -62.92 -46.5 87.52 Favored 'General case' 0 CA--C 1.53 0.189 0 CA-C-N 116.387 -0.369 . . . . 73.31 110.632 177.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 15.8 t -70.26 -41.81 72.99 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 116.554 -0.294 . . . . 73.23 110.935 -176.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -63.63 -46.93 83.45 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.34 -0.391 . . . . 44.1 110.126 178.478 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 62' ' ' MET . . . . . 0.466 ' HA ' ' HE1' ' B' ' 62' ' ' MET . 5.4 tpt -57.83 -37.7 74.3 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 115.851 -0.613 . . . . 71.0 109.65 175.866 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . 0.536 ' HZ3' ' HB3' ' B' ' 63' ' ' LYS . 7.6 ttpm? -64.33 -45.45 87.82 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.349 -0.841 . . . . 72.03 110.491 178.142 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 79.2 t80 -66.89 -39.83 87.59 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 116.342 -0.39 . . . . 73.11 110.26 -179.701 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 46.5 t -55.39 -47.41 78.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 N-CA-C 109.621 -0.511 . . . . 75.05 109.621 174.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -56.86 -34.15 67.54 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.853 -0.612 . . . . 74.13 110.032 175.529 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -70.35 -35.39 69.25 Favored Glycine 0 N--CA 1.451 -0.364 0 CA-C-N 115.379 -0.828 . . . . 75.04 112.248 -177.003 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -90.57 -13.91 33.57 Favored 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 109.035 -0.728 . . . . 64.5 109.035 -178.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 69' ' ' ASN . . . . . 0.483 ' HB3' ' HG2' ' B' ' 71' ' ' GLN . 8.7 m-80 -93.12 0.07 57.13 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.076 -0.965 . . . . 65.21 110.382 174.597 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 60.35 26.84 16.38 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 115.99 -0.55 . . . . 73.12 111.424 175.627 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . 0.483 ' HG2' ' HB3' ' B' ' 69' ' ' ASN . 4.9 pt20 -119.62 164.94 15.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.62 -0.718 . . . . 74.24 110.103 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 21.5 p -127.7 131.61 49.73 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.018 0.437 . . . . 74.12 110.502 178.195 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -109.38 155.01 41.91 Favored Pre-proline 0 C--N 1.324 -0.528 0 CA-C-N 115.797 -0.638 . . . . 75.15 109.926 177.872 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 74' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_exo -57.91 133.09 53.65 Favored 'Trans proline' 0 C--N 1.35 0.61 0 C-N-CA 122.526 2.151 . . . . 74.32 112.341 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -72.51 -17.3 61.76 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.482 0.658 . . . . 71.53 111.154 177.771 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -87.63 25.27 1.51 Allowed 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.333 -0.849 . . . . 60.22 110.782 -171.317 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 77' ' ' THR . . . . . 0.529 ' CB ' HD23 ' B' ' 103' ' ' LEU . 4.0 t -94.73 156.66 16.29 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.841 -0.618 . . . . 73.25 110.389 178.217 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 60.4 m -148.25 150.31 33.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.979 0.419 . . . . 71.23 110.532 -179.499 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 70.2 t -127.63 127.44 68.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 N-CA-C 109.156 -0.683 . . . . 54.24 109.156 177.48 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 60.9 m -114.21 115.06 26.86 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.741 0.305 . . . . 75.2 110.744 -178.743 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 81' ' ' ALA . . . . . 0.479 ' HB1' ' OG ' ' B' ' 55' ' ' SER . . . -93.3 105.7 17.74 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.022 -0.535 . . . . 73.43 110.229 178.351 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 82' ' ' GLU . . . . . 0.505 ' HG2' ' HD3' ' A' ' 6' ' ' LYS . 29.4 tt0 -102.91 107.42 18.24 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 108.52 -0.918 . . . . 71.23 108.52 176.256 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . 0.552 HG11 ' HB1' ' B' ' 51' ' ' ALA . 30.4 m -110.82 144.14 19.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.932 -0.576 . . . . 71.44 111.373 -170.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 84' ' ' GLY . . . . . 0.407 ' HA3' HG21 ' A' ' 3' ' ' ILE . . . -144.03 156.59 26.77 Favored Glycine 0 N--CA 1.441 -1.002 0 CA-C-N 116.08 -0.509 . . . . 52.45 112.353 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 85' ' ' ILE . . . . . 0.509 HD11 ' CD2' ' B' ' 93' ' ' PHE . 0.0 OUTLIER -121.97 132.44 70.92 Favored 'Isoleucine or valine' 0 C--O 1.242 0.678 0 N-CA-C 108.831 -0.803 . . . . 73.1 108.831 176.596 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 86' ' ' GLY . . . . . 0.484 ' HA3' ' HE3' ' A' ' 1' ' ' MET . . . -138.91 170.28 24.08 Favored Glycine 0 N--CA 1.453 -0.171 0 N-CA-C 111.028 -0.829 . . . . 52.3 111.028 -179.508 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 87' ' ' PRO . . . . . 0.7 ' HD3' ' HG ' ' A' ' 4' ' ' LEU . 37.1 Cg_endo -85.27 131.68 4.24 Favored 'Trans proline' 0 N--CA 1.452 -0.913 0 C-N-CA 122.465 2.11 . . . . 70.05 112.306 -176.794 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 88' ' ' ASN . . . . . . . . . . . . . 52.1 t-20 -79.13 141.84 36.93 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.381 -0.827 . . . . 72.3 109.319 178.622 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -61.99 -19.76 63.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.979 0.418 . . . . 71.21 110.985 -178.741 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -67.53 -20.98 65.49 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 116.014 -0.539 . . . . 74.05 110.613 176.294 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.27 35.43 3.37 Favored Glycine 0 N--CA 1.451 -0.301 0 CA-C-N 115.842 -0.617 . . . . 72.2 111.737 -177.283 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . -141.0 -145.2 4.55 Favored Glycine 0 N--CA 1.451 -0.325 0 N-CA-C 111.214 -0.755 . . . . 70.13 111.214 179.718 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 93' ' ' PHE . . . . . 0.509 ' CD2' HD11 ' B' ' 85' ' ' ILE . 42.6 m-85 -111.57 163.47 14.04 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.878 0.371 . . . . 73.12 110.497 178.78 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 94' ' ' ALA . . . . . 0.474 ' HB1' ' HE2' ' A' ' 1' ' ' MET . . . -148.28 126.91 12.48 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.434 -0.803 . . . . 62.21 109.201 178.341 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -98.17 129.47 44.94 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.106 0.479 . . . . 74.21 110.977 -176.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 96' ' ' ASP . . . . . 0.405 ' HB3' HD12 ' A' ' 3' ' ' ILE . 12.3 t70 -122.08 128.67 51.62 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.043 -0.98 . . . . 73.53 109.896 -178.139 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 97' ' ' VAL . . . . . 0.728 ' HB ' HG21 ' B' ' 134' ' ' VAL . 85.7 t -125.03 110.4 24.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 N-CA-C 110.175 -0.306 . . . . 65.34 110.175 177.427 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -94.1 101.99 14.03 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 108.703 -0.851 . . . . 74.42 108.703 177.092 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 17.7 tp -100.43 111.86 24.16 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 115.96 -0.564 . . . . 75.14 110.357 -171.607 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 100' ' ' ARG . . . . . 0.546 ' HA ' ' O ' ' B' ' 137' ' ' VAL . 71.7 mtt85 -98.92 123.03 42.92 Favored 'General case' 0 CA--C 1.52 -0.193 0 CA-C-N 116.139 -0.482 . . . . 70.24 111.288 -176.719 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 101' ' ' VAL . . . . . . . . . . . . . 83.1 t -106.19 108.36 24.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.506 -0.77 . . . . 60.12 110.588 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 102' ' ' ALA . . . . . 0.481 ' HA ' ' HB1' ' B' ' 139' ' ' ALA . . . -104.17 101.13 10.88 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.971 -0.381 . . . . 53.32 109.971 176.458 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 103' ' ' LEU . . . . . 0.533 ' HB3' HD22 ' B' ' 106' ' ' LEU . 0.3 OUTLIER -114.41 114.69 45.15 Favored Pre-proline 0 C--N 1.327 -0.375 0 N-CA-C 108.787 -0.82 . . . . 72.24 108.787 179.824 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 104' ' ' PRO . . . . . 0.413 ' HD2' ' HB ' ' B' ' 77' ' ' THR . 57.2 Cg_endo -70.41 148.92 61.89 Favored 'Trans proline' 0 C--O 1.234 0.285 0 C-N-CA 122.492 2.128 . . . . 74.24 112.438 -179.298 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 105' ' ' GLY . . . . . . . . . . . . . . . 70.71 14.86 73.06 Favored Glycine 0 CA--C 1.517 0.201 0 CA-C-N 115.515 -0.766 . . . . 72.34 112.759 -179.169 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 106' ' ' LEU . . . . . 0.533 HD22 ' HB3' ' B' ' 103' ' ' LEU . 25.1 tp -124.69 137.87 54.33 Favored 'General case' 0 C--O 1.238 0.458 0 CA-C-O 120.985 0.422 . . . . 65.44 110.908 -177.54 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -73.91 143.21 45.85 Favored 'General case' 0 CA--C 1.519 -0.233 0 CA-C-N 115.649 -0.705 . . . . 63.12 110.022 176.504 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 108' ' ' ALA . . . . . 0.532 ' O ' ' HG3' ' B' ' 112' ' ' LYS . . . -62.69 -37.34 86.07 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.966 0.412 . . . . 74.55 110.641 176.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -59.68 -49.7 76.72 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.853 -0.612 . . . . 64.51 110.658 178.525 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 110' ' ' ALA . . . . . 0.554 ' O ' HG21 ' B' ' 113' ' ' THR . . . -66.67 -42.72 86.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.785 -0.643 . . . . 72.03 110.036 178.144 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -55.34 -37.52 67.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.736 -0.666 . . . . 64.14 110.986 -179.719 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 112' ' ' LYS . . . . . 0.532 ' HG3' ' O ' ' B' ' 108' ' ' ALA . 63.6 mttp -52.08 -44.2 64.25 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 116.331 -0.395 . . . . 74.45 111.02 177.813 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 113' ' ' THR . . . . . 0.554 HG21 ' O ' ' B' ' 110' ' ' ALA . 1.9 t -82.06 -36.88 27.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.801 0.334 . . . . 72.03 110.718 -177.18 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 114' ' ' LEU . . . . . 0.473 ' HG ' ' O ' ' B' ' 110' ' ' ALA . 47.3 mt -61.91 -47.43 84.96 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.246 -0.434 . . . . 72.05 110.507 -178.285 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 115' ' ' VAL . . . . . 0.4 HG22 HG11 ' B' ' 138' ' ' VAL . 78.7 t -65.91 -34.23 68.88 Favored 'Isoleucine or valine' 0 C--O 1.237 0.434 0 CA-C-N 115.99 -0.55 . . . . 63.55 110.432 179.485 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -63.92 -57.79 8.71 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 115.911 -0.586 . . . . 75.43 110.452 -179.659 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 117' ' ' ARG . . . . . . . . . . . . . 13.6 ptm180 -64.93 -35.55 81.53 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 115.966 -0.561 . . . . 70.2 110.358 -177.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -59.34 -40.47 86.47 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.052 -0.522 . . . . 61.11 109.674 174.738 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 119' ' ' HIS . . . . . 0.531 ' HB3' ' HD2' ' B' ' 129' ' ' ARG . 15.5 m80 -73.67 1.24 10.66 Favored 'General case' 0 N--CA 1.455 -0.201 0 CA-C-N 115.904 -0.589 . . . . 74.31 112.322 178.038 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -108.55 -33.52 7.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.849 0.357 . . . . 73.32 110.479 176.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 34.8 m -94.4 -39.34 10.26 Favored 'Isoleucine or valine' 0 C--O 1.234 0.286 0 N-CA-C 112.071 0.397 . . . . 73.14 112.071 -176.097 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 122' ' ' CYS . . . . . . . . . . . . . 68.8 m -76.92 140.75 67.17 Favored Pre-proline 0 C--O 1.238 0.448 0 CA-C-O 120.4 0.143 . . . . 74.53 111.039 -176.536 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 123' ' ' PRO . . . . . 0.485 ' HA ' HD22 ' A' ' 131' ' ' ASN . 48.2 Cg_exo -56.75 162.43 8.64 Favored 'Trans proline' 0 C--N 1.353 0.811 0 C-N-CA 122.809 2.339 . . . . 65.25 111.727 176.526 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 124' ' ' TYR . . . . . . . . . . . . . 79.4 m-85 . . . . . 0 N--CA 1.473 0.675 0 C-N-CA 123.449 0.7 . . . . 65.35 110.531 -177.473 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 128' ' ' THR . . . . . 0.402 ' O ' ' HB ' ' B' ' 132' ' ' VAL . 1.1 t . . . . . 0 C--O 1.223 -0.292 0 N-CA-C 109.751 -0.463 . . . . 64.4 109.751 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 129' ' ' ARG . . . . . 0.531 ' HD2' ' HB3' ' B' ' 119' ' ' HIS . 12.3 ptm180 -105.48 -47.96 3.8 Favored 'General case' 0 N--CA 1.455 -0.198 0 N-CA-C 109.512 -0.551 . . . . 75.21 109.512 -175.878 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 130' ' ' ASN . . . . . . . . . . . . . 63.6 m-80 -78.97 -21.36 47.23 Favored 'General case' 0 N--CA 1.455 -0.188 0 CA-C-N 116.111 -0.495 . . . . 74.14 111.078 178.162 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 131' ' ' ASN . . . . . 0.507 ' HB2' ' HB2' ' A' ' 126' ' ' ASN . 6.6 t30 -100.97 -43.99 5.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 75.43 110.879 -177.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 132' ' ' VAL . . . . . 0.42 HG11 ' N ' ' B' ' 133' ' ' ALA . 13.4 t -112.09 161.75 10.54 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.279 0 CA-C-N 116.073 -0.512 . . . . 62.31 110.192 -174.186 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 133' ' ' ALA . . . . . 0.42 ' N ' HG11 ' B' ' 132' ' ' VAL . . . -91.68 81.33 5.28 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.92 0.866 . . . . 72.23 110.223 177.57 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 134' ' ' VAL . . . . . 0.728 HG21 ' HB ' ' B' ' 97' ' ' VAL . 97.2 t -103.61 112.17 36.07 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.723 0 CA-C-N 114.66 -1.155 . . . . 64.53 110.428 178.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 24.6 mmm180 -78.55 108.15 11.74 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.741 -0.663 . . . . 74.32 109.316 174.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 75.3 mt -78.19 122.2 25.35 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.859 -0.61 . . . . 72.41 110.454 179.361 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 137' ' ' VAL . . . . . 0.546 ' O ' ' HA ' ' B' ' 100' ' ' ARG . 0.3 OUTLIER -132.16 116.87 30.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.448 -0.796 . . . . 74.23 110.127 -179.546 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 138' ' ' VAL . . . . . 0.4 HG11 HG22 ' B' ' 115' ' ' VAL . 3.6 m -94.61 138.55 20.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.583 -0.735 . . . . 70.52 109.6 179.747 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 139' ' ' ALA . . . . . 0.481 ' HB1' ' HA ' ' B' ' 102' ' ' ALA . . . . . . . . 0 C--O 1.251 1.159 0 CA-C-O 118.47 -0.776 . . . . 71.35 110.771 -175.696 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.475 ' HE1' ' HB2' ' B' ' 94' ' ' ALA . 25.4 ptm . . . . . 0 N--CA 1.486 1.335 0 CA-C-O 120.994 0.426 . . . . 71.43 110.663 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . 0.436 ' O ' ' HA3' ' B' ' 86' ' ' GLY . 41.2 t30 -89.36 84.43 6.45 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.65 -0.705 . . . . 75.52 109.584 -178.609 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.511 HG23 ' HB2' ' A' ' 6' ' ' LYS . 28.4 mm -75.33 133.64 30.96 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-N 115.944 -0.571 . . . . 51.02 112.131 -179.385 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.804 ' HG ' ' HD3' ' B' ' 87' ' ' PRO . 87.2 mt -91.75 -44.5 8.95 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 114.959 -1.019 . . . . 74.21 109.657 171.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 22.5 t80 -138.94 126.57 21.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.651 -0.704 . . . . 73.42 110.098 -176.092 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.511 ' HB2' HG23 ' A' ' 3' ' ' ILE . 30.5 ttmt -140.21 133.88 30.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.912 0.387 . . . . 62.42 110.408 176.522 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.523 HG22 ' OE1' ' B' ' 48' ' ' GLN . 11.1 t -131.02 167.18 19.49 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.657 -0.702 . . . . 73.02 109.545 177.178 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.458 ' HA ' ' HA ' ' B' ' 82' ' ' GLU . . . -135.78 149.67 49.21 Favored 'General case' 0 C--O 1.238 0.452 0 CA-C-O 121.288 0.566 . . . . 64.34 111.624 -174.336 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.405 ' CB ' ' HA ' ' A' ' 21' ' ' SER . . . -140.46 139.69 35.22 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.807 -0.633 . . . . 73.03 110.447 176.674 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 8.8 t -103.04 131.14 50.24 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.606 -0.516 . . . . 73.43 109.606 176.58 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 29.4 t -122.67 113.45 19.24 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.118 0.485 . . . . 74.42 110.718 -178.372 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.497 ' HB ' ' HB3' ' A' ' 18' ' ' ARG . 6.0 m -91.78 166.91 12.52 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.945 -0.571 . . . . 72.12 109.614 177.005 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -82.73 14.1 38.63 Favored Glycine 0 CA--C 1.523 0.584 0 C-N-CA 120.851 -0.69 . . . . 62.44 112.501 175.63 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 30.34 -129.63 0.14 Allowed Glycine 0 C--N 1.344 0.983 0 O-C-N 123.86 0.388 . . . . 62.02 112.889 -174.649 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 6.2 tmm_? -88.82 -36.2 16.18 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 107.488 -1.301 . . . . 73.04 107.488 163.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -126.07 -42.42 1.87 Allowed 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 115.951 -0.568 . . . . 74.22 110.858 170.332 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.431 ' O ' ' HG3' ' A' ' 29' ' ' LYS . . . -159.45 153.57 24.62 Favored Glycine 0 C--N 1.349 1.292 0 C-N-CA 120.763 -0.732 . . . . 73.12 111.565 169.051 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.505 ' HA ' ' HA ' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -150.0 128.55 12.28 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.599 -0.519 . . . . 73.24 109.599 -176.316 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -133.21 133.2 42.44 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 117.843 0.292 . . . . 71.12 111.302 -178.429 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 56.2 m -142.8 118.84 10.68 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.382 -0.372 . . . . 65.23 110.676 -178.777 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.424 ' CB ' ' HB3' ' A' ' 26' ' ' LEU . 28.4 t -81.53 118.63 22.9 Favored 'General case' 0 C--O 1.249 1.045 0 N-CA-C 108.857 -0.794 . . . . 62.3 108.857 175.864 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.443 ' C ' ' H ' ' A' ' 24' ' ' GLN . 13.2 t60 -50.9 -27.66 8.01 Favored 'General case' 0 N--CA 1.469 0.503 0 O-C-N 126.029 2.08 . . . . 71.44 113.219 -165.4 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.407 ' HB2' ' HE3' ' A' ' 25' ' ' LYS . 4.0 m-20 -80.02 22.15 0.53 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.957 0.408 . . . . 73.43 109.942 -176.452 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.443 ' H ' ' C ' ' A' ' 22' ' ' HIS . 29.0 mm-40 60.57 20.66 10.5 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 115.436 -0.802 . . . . 72.53 109.704 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.427 ' NZ ' ' OG1' ' A' ' 7' ' ' THR . 9.2 ptpp? -93.4 -20.4 20.36 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 116.015 -0.539 . . . . 73.44 109.869 -176.538 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.424 ' HB3' ' CB ' ' A' ' 21' ' ' SER . 61.3 tp -141.34 140.7 33.81 Favored 'General case' 0 C--N 1.342 0.273 0 C-N-CA 120.275 -0.57 . . . . 74.42 110.286 174.658 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -161.77 96.46 1.03 Allowed 'General case' 0 C--N 1.331 -0.234 0 O-C-N 123.528 0.517 . . . . 74.5 109.959 176.296 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 2.9 m -146.24 178.28 1.22 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.417 0 CA-C-O 121.304 0.574 . . . . 62.12 111.817 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.505 ' HA ' ' HA ' ' A' ' 18' ' ' ARG . 45.6 tttt -142.46 141.17 32.13 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 114.848 -1.069 . . . . 62.42 109.554 179.652 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.561 HD11 ' N ' ' A' ' 30' ' ' LEU . 0.0 OUTLIER -132.98 175.03 9.73 Favored 'General case' 0 C--O 1.258 1.527 0 CA-C-O 121.277 0.56 . . . . 73.21 112.079 -178.206 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.403 ' HB2' ' HB1' ' A' ' 41' ' ' ALA . 51.1 m -155.48 154.01 31.16 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 114.675 -1.148 . . . . 75.34 111.276 -179.177 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -75.01 147.85 83.99 Favored Pre-proline 0 CA--C 1.54 0.58 0 CA-C-N 116.059 -0.519 . . . . 52.21 111.603 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -61.82 141.68 90.95 Favored 'Trans proline' 0 C--N 1.356 0.925 0 C-N-CA 122.955 2.437 . . . . 73.33 112.298 -178.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.527 ' HB2' ' HA3' ' A' ' 40' ' ' GLY . 9.0 tpt180 -71.06 -35.59 71.98 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.226 -0.443 . . . . 64.52 111.608 -176.411 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -57.59 -24.81 58.36 Favored 'General case' 0 N--CA 1.466 0.348 0 N-CA-C 112.942 0.719 . . . . 75.14 112.942 -170.397 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.427 HD23 ' N ' ' A' ' 36' ' ' LEU . 1.2 mm? -99.73 19.88 15.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.978 0.418 . . . . 73.53 110.321 -179.096 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 86.33 30.28 22.62 Favored Glycine 0 N--CA 1.452 -0.272 0 CA-C-N 115.989 -0.551 . . . . 72.22 111.914 -176.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -98.91 -133.12 7.94 Favored Glycine 0 N--CA 1.453 -0.216 0 C-N-CA 121.314 -0.47 . . . . 73.44 112.398 -178.339 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -119.67 -26.93 5.59 Favored 'General case' 0 N--CA 1.465 0.307 0 N-CA-C 112.214 0.45 . . . . 63.22 112.214 -175.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.527 ' HA3' ' HB2' ' A' ' 34' ' ' ARG . . . 50.15 40.46 36.68 Favored Glycine 0 N--CA 1.461 0.358 0 C-N-CA 121.613 -0.327 . . . . 45.53 113.421 -173.212 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.403 ' HB1' ' HB2' ' A' ' 31' ' ' SER . . . -72.47 167.96 19.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.654 0.264 . . . . 51.12 110.658 179.432 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -83.47 37.98 0.6 Allowed 'General case' 0 CA--C 1.534 0.34 0 CA-C-O 121.25 0.548 . . . . 71.23 111.35 -177.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -106.49 -136.46 8.33 Favored Glycine 0 N--CA 1.452 -0.269 0 N-CA-C 111.071 -0.812 . . . . 55.55 111.071 177.099 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.473 ' OG1' ' HB3' ' A' ' 30' ' ' LEU . 82.2 p -129.53 167.48 17.83 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.783 -0.451 . . . . 74.01 109.783 176.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 11.9 m120 -100.91 138.53 20.05 Favored Pre-proline 0 C--N 1.328 -0.343 0 N-CA-C 109.876 -0.416 . . . . 72.33 109.876 179.551 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -55.66 -47.71 24.01 Favored 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 122.855 2.37 . . . . 63.04 112.435 -178.356 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.2 mp0 -63.6 -38.63 91.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.887 -0.597 . . . . 62.13 110.249 -179.468 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -66.75 -37.78 85.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.568 -0.742 . . . . 74.41 109.648 178.15 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.502 HD11 ' HA3' ' B' ' 53' ' ' GLY . 2.2 tm? -64.56 -49.53 70.85 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 115.809 -0.632 . . . . 71.11 109.586 -179.828 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 35.6 t80 -60.48 -45.07 95.08 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 116.235 -0.439 . . . . 65.21 110.383 177.121 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -51.97 -53.02 46.31 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.233 -0.44 . . . . 52.03 111.229 177.008 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.539 ' HB3' ' HB2' ' B' ' 19' ' ' ALA . . . -65.74 -46.3 79.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.78 -0.645 . . . . 73.32 111.186 -178.095 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.42 ' HA3' HD13 ' B' ' 49' ' ' LEU . . . -64.42 -39.83 97.25 Favored Glycine 0 C--O 1.225 -0.409 0 CA-C-N 115.826 -0.624 . . . . 45.35 112.362 -178.591 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.421 ' HH ' ' HB2' ' A' ' 123' ' ' PRO . 4.3 t80 -69.21 -47.53 64.58 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 122.702 0.401 . . . . 74.55 110.534 -179.276 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 27.8 p -60.21 -48.88 79.84 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.806 0.336 . . . . 73.1 110.227 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.439 ' HB2' HD23 ' B' ' 30' ' ' LEU . . . -61.58 -41.47 97.45 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.023 -0.535 . . . . 72.41 110.677 176.576 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 52.9 t -62.95 -36.26 82.88 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 115.977 -0.556 . . . . 74.4 110.356 179.311 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.49 ' HE2' ' HA ' ' A' ' 123' ' ' PRO . 27.5 t80 -67.64 -30.64 70.25 Favored 'General case' 0 N--CA 1.454 -0.225 0 CA-C-N 116.113 -0.494 . . . . 74.24 109.681 -178.069 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.462 HD21 HG21 ' A' ' 79' ' ' VAL . 96.1 mt -65.62 -51.43 59.71 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.905 -0.588 . . . . 74.12 109.768 175.2 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 15.5 m -57.79 -40.92 81.04 Favored 'General case' 0 C--O 1.237 0.418 0 CA-C-O 121.306 0.574 . . . . 74.4 110.401 176.717 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -61.48 -47.0 87.65 Favored 'General case' 0 C--O 1.223 -0.342 0 CA-C-N 115.699 -0.682 . . . . 64.15 110.054 177.623 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.94 -38.54 86.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.479 -0.328 . . . . 61.32 110.637 177.685 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 28.9 tptp -58.72 -50.95 72.02 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-N 115.964 -0.562 . . . . 62.32 110.312 178.285 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.424 ' CZ ' ' HE1' ' B' ' 93' ' ' PHE . 51.6 t80 -69.79 -46.39 65.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.898 -0.592 . . . . 70.35 111.115 -178.394 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 42.0 t -55.22 -44.53 75.33 Favored 'Isoleucine or valine' 0 C--O 1.238 0.451 0 CA-C-N 116.288 -0.415 . . . . 51.41 110.757 179.453 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -57.34 -31.9 66.19 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.143 -0.481 . . . . 55.45 110.224 177.741 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -72.79 -29.52 65.17 Favored Glycine 0 N--CA 1.452 -0.268 0 CA-C-N 115.488 -0.778 . . . . 65.01 112.521 -178.152 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -96.86 -11.67 24.51 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.286 0.565 . . . . 73.33 109.555 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 16.7 m-80 -100.98 3.83 41.93 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.276 -0.874 . . . . 73.35 110.518 175.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 34.4 mmtt 60.8 23.99 13.93 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 115.196 -0.911 . . . . 70.5 111.041 172.284 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -116.63 167.36 11.15 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.863 -0.608 . . . . 65.11 110.349 -178.602 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 15.7 p -131.51 124.72 30.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.831 0.348 . . . . 71.13 111.104 -179.401 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -109.55 140.45 22.14 Favored Pre-proline 0 C--N 1.324 -0.528 0 CA-C-N 115.636 -0.711 . . . . 64.52 110.144 177.891 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . 0.414 ' HG2' ' O ' ' A' ' 104' ' ' PRO . 48.7 Cg_exo -57.47 126.76 22.95 Favored 'Trans proline' 0 C--N 1.348 0.537 0 C-N-CA 122.817 2.344 . . . . 75.32 112.441 -177.295 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -77.29 -1.78 31.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.225 0.536 . . . . 74.43 111.334 -179.331 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -85.76 14.61 5.66 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 121.607 0.717 . . . . 72.44 110.652 -178.72 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.474 ' HB ' HD21 ' A' ' 103' ' ' LEU . 6.8 t -88.62 168.28 12.67 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-N 115.692 -0.686 . . . . 74.0 112.111 -174.481 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 32.0 m -153.0 149.8 28.55 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 115.411 -0.813 . . . . 72.13 109.631 179.733 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.462 HG21 HD21 ' A' ' 59' ' ' LEU . 69.8 t -128.6 118.94 48.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 121.133 0.492 . . . . 73.54 109.945 176.04 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' THR . . . . . 0.488 ' HA ' ' HA ' ' B' ' 10' ' ' THR . 9.1 m -98.82 108.63 21.37 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 116.29 -0.414 . . . . 61.0 110.309 179.734 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -93.61 106.7 18.65 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.935 -0.575 . . . . 75.0 109.828 178.024 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.491 ' HG2' ' HD3' ' B' ' 6' ' ' LYS . 32.5 tt0 -109.84 108.71 19.12 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.401 -0.592 . . . . 75.53 109.401 -178.849 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.428 HG12 HG21 ' A' ' 97' ' ' VAL . 22.3 m -104.66 144.53 14.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 121.107 0.48 . . . . 74.25 111.229 -174.03 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -139.79 164.01 26.13 Favored Glycine 0 N--CA 1.441 -0.974 0 CA-C-N 115.51 -0.768 . . . . 64.22 111.762 179.531 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.422 HD13 ' CD2' ' A' ' 93' ' ' PHE . 0.0 OUTLIER -139.39 130.52 33.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 N-CA-C 109.272 -0.64 . . . . 71.32 109.272 -179.699 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . 0.423 ' HA2' ' HG ' ' B' ' 4' ' ' LEU . . . -144.19 169.89 26.15 Favored Glycine 0 CA--C 1.516 0.145 0 CA-C-N 115.398 -0.819 . . . . 64.2 111.119 179.058 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . 0.669 ' HD3' ' HG ' ' B' ' 4' ' ' LEU . 88.3 Cg_endo -81.84 141.84 12.28 Favored 'Trans proline' 0 N--CA 1.458 -0.564 0 C-N-CA 122.249 1.966 . . . . 75.13 111.752 -179.075 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . 0.499 ' HB3' ' HB1' ' A' ' 94' ' ' ALA . 31.0 p30 -101.16 165.66 11.18 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.324 -0.398 . . . . 63.43 110.224 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -68.41 -13.1 62.06 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 116.493 -0.322 . . . . 74.31 111.416 -176.714 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -73.72 -24.84 59.97 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-O 121.05 0.452 . . . . 62.35 110.258 175.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.14 17.26 16.45 Favored Glycine 0 C--N 1.33 0.208 0 CA-C-N 115.855 -0.611 . . . . 52.42 112.192 -179.567 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -121.34 -152.18 8.71 Favored Glycine 0 N--CA 1.45 -0.43 0 N-CA-C 111.225 -0.75 . . . . 74.12 111.225 177.516 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.422 ' CD2' HD13 ' A' ' 85' ' ' ILE . 39.5 m-85 -104.47 157.34 17.22 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.934 0.397 . . . . 72.25 110.64 179.268 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . 0.499 ' HB1' ' HB3' ' A' ' 88' ' ' ASN . . . -143.21 135.07 26.74 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.789 -0.641 . . . . 73.43 109.38 177.789 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -100.72 137.5 39.03 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.108 0.48 . . . . 75.45 111.251 -175.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -121.37 115.32 22.7 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.095 -0.957 . . . . 62.1 109.255 178.507 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.428 HG21 HG12 ' A' ' 83' ' ' VAL . 49.6 t -115.29 110.71 32.89 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 CA-C-O 120.889 0.376 . . . . 41.42 110.665 -178.33 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -93.42 111.19 22.78 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.812 -0.44 . . . . 52.25 109.812 176.751 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 72.4 mt -97.76 106.4 18.7 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.279 -0.637 . . . . 73.33 109.279 175.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . 0.526 ' HA ' ' O ' ' A' ' 137' ' ' VAL . 71.2 mtt180 -101.6 109.78 21.65 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.047 -0.524 . . . . 73.43 110.019 -177.277 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 39.1 t -99.44 100.06 9.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 116.196 -0.456 . . . . 72.23 110.314 -174.22 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -91.65 101.34 13.97 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.555 -0.535 . . . . 73.1 109.555 179.481 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.474 HD21 ' HB ' ' A' ' 77' ' ' THR . 7.1 mt -114.02 118.94 41.73 Favored Pre-proline 0 C--N 1.327 -0.411 0 CA-C-N 115.33 -0.85 . . . . 73.31 110.322 -176.529 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . 0.414 ' O ' ' HG2' ' A' ' 74' ' ' PRO . 84.4 Cg_endo -80.26 155.44 22.22 Favored 'Trans proline' 0 N--CA 1.458 -0.596 0 C-N-CA 122.73 2.287 . . . . 73.52 111.986 179.743 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 64.57 15.17 59.13 Favored Glycine 0 CA--C 1.523 0.55 0 CA-C-N 115.809 -0.632 . . . . 54.45 112.819 -179.464 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.45 HD23 ' HA ' ' A' ' 111' ' ' ALA . 28.1 tp -129.49 140.7 51.2 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 122.797 0.439 . . . . 65.03 110.286 -176.732 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -73.98 162.54 28.94 Favored 'General case' 0 CA--C 1.51 -0.579 0 CA-C-N 116.346 -0.388 . . . . 72.42 111.058 -179.752 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -65.43 -45.51 83.56 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.532 -0.758 . . . . 74.35 110.042 170.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -63.43 -48.88 75.95 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 115.664 -0.698 . . . . 64.13 110.842 -176.113 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . 0.575 ' O ' HG22 ' A' ' 113' ' ' THR . . . -67.28 -43.76 81.01 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.638 -0.71 . . . . 73.25 109.781 179.646 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . 0.45 ' HA ' HD23 ' A' ' 106' ' ' LEU . . . -54.61 -42.73 71.49 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 115.998 -0.546 . . . . 54.13 111.382 178.901 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 12.3 mmmm -53.42 -48.99 68.23 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 116.345 -0.389 . . . . 74.23 110.953 177.359 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' THR . . . . . 0.575 HG22 ' O ' ' A' ' 110' ' ' ALA . 1.0 OUTLIER -72.38 -33.42 67.2 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.153 -0.476 . . . . 74.22 110.878 -176.018 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.532 ' HG ' ' O ' ' A' ' 110' ' ' ALA . 43.8 mt -67.93 -48.73 65.12 Favored 'General case' 0 N--CA 1.462 0.139 0 CA-C-N 116.437 -0.347 . . . . 61.01 110.612 -179.212 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . 0.402 HG21 HG12 ' A' ' 138' ' ' VAL . 97.6 t -62.34 -37.05 77.7 Favored 'Isoleucine or valine' 0 C--O 1.242 0.684 0 CA-C-O 120.931 0.396 . . . . 72.22 110.116 177.739 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -59.05 -61.0 2.97 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 115.382 -0.826 . . . . 65.51 110.715 179.275 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 1.7 ptm180 -64.42 -35.33 80.55 Favored 'General case' 0 N--CA 1.456 -0.137 0 CA-C-N 116.02 -0.536 . . . . 65.24 110.549 -176.443 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -58.3 -48.91 78.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.043 -0.526 . . . . 63.41 110.497 177.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 63.7 m80 -76.16 -11.44 59.93 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 116.283 -0.417 . . . . 74.13 111.232 178.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 19.2 t-80 -87.32 -32.91 19.4 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.195 -0.457 . . . . 75.14 110.864 179.372 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . 0.459 HG22 ' N ' ' A' ' 122' ' ' CYS . 28.0 m -89.99 -52.76 10.19 Favored 'Isoleucine or valine' 0 C--O 1.234 0.264 0 CA-C-N 116.607 -0.269 . . . . 74.54 111.342 -178.64 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' CYS . . . . . 0.459 ' N ' HG22 ' A' ' 121' ' ' VAL . 11.8 p -156.62 88.72 2.73 Favored Pre-proline 0 CA--C 1.533 0.325 0 O-C-N 122.306 -0.246 . . . . 72.12 111.63 -178.799 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' PRO . . . . . 0.49 ' HA ' ' HE2' ' A' ' 58' ' ' PHE . 73.2 Cg_endo -80.98 -53.81 0.04 OUTLIER 'Trans proline' 0 CA--C 1.537 0.631 0 C-N-CA 122.328 2.019 . . . . 75.04 112.022 173.845 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER 177.04 -41.73 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.265 0 N-CA-C 106.662 -1.607 . . . . 65.44 106.662 178.396 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' SER . . . . . 0.562 ' O ' HG21 ' A' ' 128' ' ' THR . 57.4 p -159.44 144.91 15.85 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 114.042 -1.435 . . . . 65.33 107.977 168.437 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 66.5 t30 -60.55 -31.8 70.89 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.604 0.716 . . . . 73.42 109.836 -179.324 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . 0.622 ' O ' ' HB3' ' A' ' 131' ' ' ASN . . . -81.25 6.7 13.29 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.033 -0.985 . . . . 54.1 112.066 -178.872 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' THR . . . . . 0.562 HG21 ' O ' ' A' ' 125' ' ' SER . 1.7 t -96.06 -11.22 26.72 Favored 'General case' 0 N--CA 1.465 0.276 0 N-CA-C 108.841 -0.8 . . . . 73.21 108.841 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . 0.41 ' HG3' ' N ' ' A' ' 130' ' ' ASN . 14.4 ptt180 -119.88 -40.96 2.69 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 115.283 -0.871 . . . . 72.04 110.873 -176.653 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 130' ' ' ASN . . . . . 0.41 ' N ' ' HG3' ' A' ' 129' ' ' ARG . 53.0 m-80 -78.2 -52.36 8.8 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 121.159 0.504 . . . . 71.52 110.652 177.646 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 131' ' ' ASN . . . . . 0.622 ' HB3' ' O ' ' A' ' 127' ' ' ALA . 60.1 t30 -68.42 -43.83 76.3 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 115.665 -0.698 . . . . 72.12 110.763 -177.777 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 29.5 t -97.12 133.21 39.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.803 -0.635 . . . . 70.22 110.108 -178.131 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -71.5 90.66 1.0 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.459 0.647 . . . . 45.42 110.85 -178.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 48.4 t -110.82 112.29 39.9 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.589 0 CA-C-N 115.181 -0.918 . . . . 75.02 110.678 178.546 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 15.4 ttp180 -85.16 109.1 18.04 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.057 -0.974 . . . . 74.34 110.215 178.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 73.8 mt -81.11 120.92 25.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.721 -0.672 . . . . 50.04 110.689 178.323 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . 0.526 ' O ' ' HA ' ' A' ' 100' ' ' ARG . 0.1 OUTLIER -132.84 125.38 52.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.434 -0.803 . . . . 74.42 110.016 -178.036 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . 0.402 HG12 HG21 ' A' ' 115' ' ' VAL . 5.4 m -97.7 139.19 20.52 Favored 'Isoleucine or valine' 0 C--O 1.236 0.372 0 CA-C-O 121.455 0.645 . . . . 71.15 110.854 -178.275 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.314 -0.942 0 CA-C-N 115.169 -0.923 . . . . 73.13 110.788 -174.863 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 17.3 ptt? . . . . . 0 C--O 1.234 0.266 0 CA-C-O 120.778 0.323 . . . . 72.42 110.935 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 65.8 t30 -80.86 73.12 7.87 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-O 121.197 0.522 . . . . 61.35 110.623 -179.634 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . 0.426 HG23 ' HB2' ' B' ' 6' ' ' LYS . 31.5 mm -61.14 126.27 18.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.517 -0.765 . . . . 72.42 111.672 176.342 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . 0.669 ' HG ' ' HD3' ' A' ' 87' ' ' PRO . 92.6 mt -79.26 -48.77 13.58 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.63 -0.713 . . . . 75.25 110.377 176.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 5' ' ' TYR . . . . . . . . . . . . . 46.8 t80 -136.19 132.05 35.41 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.263 -0.426 . . . . 75.45 110.067 -176.041 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . 0.491 ' HD3' ' HG2' ' A' ' 82' ' ' GLU . 30.3 ttmt -140.22 134.77 31.58 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.017 0.437 . . . . 65.01 110.961 177.43 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 5.2 t -131.55 155.14 48.0 Favored 'General case' 0 C--O 1.238 0.453 0 CA-C-N 115.457 -0.792 . . . . 73.02 109.239 177.399 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . 0.472 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . . . -121.94 147.53 45.91 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.025 0.441 . . . . 64.22 111.186 -173.698 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -141.76 118.93 11.35 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.812 -0.631 . . . . 71.2 109.473 176.471 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 10' ' ' THR . . . . . 0.488 ' HA ' ' HA ' ' A' ' 80' ' ' THR . 9.5 t -96.43 137.91 34.81 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.997 -0.547 . . . . 64.31 109.727 -177.791 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 76.0 p -124.69 113.42 17.96 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.998 0.428 . . . . 74.14 110.39 -178.748 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 4.9 m -98.82 157.6 16.18 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.005 0.431 . . . . 73.24 110.497 -179.053 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -81.72 74.86 2.4 Favored Glycine 0 N--CA 1.447 -0.614 0 N-CA-C 111.055 -0.818 . . . . 71.12 111.055 174.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -55.67 -104.77 0.01 OUTLIER Glycine 0 C--N 1.338 0.663 0 C-N-CA 121.465 -0.398 . . . . 73.4 112.455 179.279 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 15.4 mmm180 -88.98 -50.12 6.37 Favored 'General case' 0 C--N 1.328 -0.333 0 O-C-N 122.355 -0.497 . . . . 65.14 110.089 170.452 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 16' ' ' ASP . . . . . 0.524 ' HB3' ' HA ' ' B' ' 31' ' ' SER . 13.8 t70 -125.76 -42.65 1.9 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.754 -0.657 . . . . 65.33 109.331 176.085 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 17' ' ' GLY . . . . . 0.453 ' O ' ' HG3' ' B' ' 29' ' ' LYS . . . -162.17 154.08 24.94 Favored Glycine 0 C--N 1.339 0.729 0 C-N-CA 120.823 -0.703 . . . . 74.22 111.859 167.288 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 18' ' ' ARG . . . . . 0.624 ' HA ' ' HA ' ' B' ' 29' ' ' LYS . 41.5 ttm180 -132.89 146.9 52.21 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.508 -0.553 . . . . 74.4 109.508 175.336 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 19' ' ' ALA . . . . . 0.539 ' HB2' ' HB3' ' A' ' 52' ' ' ALA . . . -133.28 123.77 26.1 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.746 -0.465 . . . . 64.31 109.746 177.055 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 27.8 m -134.2 114.98 13.65 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.367 -0.379 . . . . 75.11 110.719 -174.354 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 21' ' ' SER . . . . . 0.549 ' HB3' ' N ' ' B' ' 26' ' ' LEU . 34.6 t -71.04 113.05 7.68 Favored 'General case' 0 C--O 1.248 0.996 0 N-CA-C 107.968 -1.123 . . . . 74.21 107.968 176.177 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 22' ' ' HIS . . . . . . . . . . . . . 53.5 t-80 -60.03 -15.91 26.68 Favored 'General case' 0 N--CA 1.471 0.581 0 O-C-N 126.159 2.162 . . . . 73.12 112.459 -167.454 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -80.53 11.59 3.63 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 110.08 -0.341 . . . . 63.54 110.08 175.314 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 31.2 mm-40 67.98 18.07 9.54 Favored 'General case' 0 C--N 1.342 0.261 0 CA-C-N 115.41 -0.814 . . . . 71.43 109.822 -178.63 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 34.1 mmtp -87.92 -20.05 26.47 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 115.224 -0.898 . . . . 41.25 110.92 -178.104 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . 0.549 ' N ' ' HB3' ' B' ' 21' ' ' SER . 54.9 tp -146.97 144.22 29.03 Favored 'General case' 0 CA--C 1.515 -0.381 0 C-N-CA 119.643 -0.823 . . . . 73.34 110.966 176.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -156.83 90.99 1.18 Allowed 'General case' 0 C--N 1.327 -0.38 0 O-C-N 123.591 0.557 . . . . 53.33 109.544 175.088 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 5.8 m -136.03 178.07 5.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.879 -0.6 . . . . 74.12 110.699 -179.191 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . 0.624 ' HA ' ' HA ' ' B' ' 18' ' ' ARG . 7.6 ttpp -142.09 140.14 32.43 Favored 'General case' 0 C--N 1.319 -0.717 0 CA-C-N 115.778 -0.646 . . . . 74.12 110.333 -175.194 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . 0.651 ' HA ' ' H ' ' B' ' 44' ' ' THR . 0.0 OUTLIER -124.05 170.44 10.66 Favored 'General case' 0 C--O 1.248 1.013 0 CA-C-O 121.109 0.48 . . . . 72.32 111.078 179.112 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 31' ' ' SER . . . . . 0.524 ' HA ' ' HB3' ' B' ' 16' ' ' ASP . 50.3 m -152.6 133.58 14.12 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 115.412 -0.813 . . . . 62.35 110.804 -176.187 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.88 141.93 95.09 Favored Pre-proline 0 C--O 1.244 0.763 0 CA-C-N 116.045 -0.525 . . . . 75.13 110.149 176.649 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 33' ' ' PRO . . . . . 0.502 ' HG3' ' ND2' ' B' ' 45' ' ' ASN . 64.5 Cg_exo -51.85 113.51 1.2 Allowed 'Trans proline' 0 C--N 1.348 0.539 0 C-N-CA 122.723 2.282 . . . . 72.21 112.37 -179.223 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 34' ' ' ARG . . . . . 0.58 ' HB2' ' HA3' ' B' ' 40' ' ' GLY . 0.0 OUTLIER -51.6 -32.58 29.31 Favored 'General case' 0 N--CA 1.445 -0.689 0 C-N-CA 123.134 0.574 . . . . 71.43 110.59 177.267 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 7.5 mp0 -52.02 -43.19 63.58 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.559 -0.746 . . . . 72.42 111.219 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . 0.414 HD12 HD11 ' B' ' 85' ' ' ILE . 20.1 mt -89.25 -35.69 16.03 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.286 -0.87 . . . . 63.52 110.863 -173.16 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 151.61 38.71 0.03 OUTLIER Glycine 0 C--N 1.33 0.201 0 C-N-CA 121.026 -0.607 . . . . 51.22 112.463 178.506 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -113.17 -137.91 6.95 Favored Glycine 0 N--CA 1.446 -0.681 0 C-N-CA 120.831 -0.7 . . . . 64.12 111.494 -177.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 39' ' ' ALA . . . . . 0.44 ' C ' ' HG2' ' B' ' 34' ' ' ARG . . . -119.09 -17.34 8.99 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 111.527 0.195 . . . . 71.25 111.527 -177.631 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 40' ' ' GLY . . . . . 0.58 ' HA3' ' HB2' ' B' ' 34' ' ' ARG . . . 46.36 33.09 5.6 Favored Glycine 0 C--N 1.34 0.779 0 CA-C-O 121.763 0.646 . . . . 53.13 111.514 -174.539 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . 0.413 ' HB1' ' OG ' ' B' ' 31' ' ' SER . . . -83.84 -166.83 1.51 Allowed 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 114.294 -0.953 . . . . 75.21 112.368 -171.718 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . 0.536 ' HB2' ' HZ1' ' B' ' 29' ' ' LYS . 26.3 mt-10 -72.28 74.7 0.99 Allowed 'General case' 0 CA--C 1.514 -0.412 0 CA-C-N 114.955 -1.021 . . . . 74.14 110.052 178.805 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -161.92 -171.91 28.64 Favored Glycine 0 C--N 1.308 -0.974 0 CA-C-N 114.753 -1.112 . . . . 72.12 113.488 178.737 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 44' ' ' THR . . . . . 0.651 ' H ' ' HA ' ' B' ' 30' ' ' LEU . 9.5 t -115.3 171.86 7.43 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 123.072 0.549 . . . . 70.51 109.848 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 45' ' ' ASN . . . . . 0.502 ' ND2' ' HG3' ' B' ' 33' ' ' PRO . 17.1 m120 -74.88 117.5 63.08 Favored Pre-proline 0 C--N 1.33 -0.253 0 N-CA-C 110.184 -0.302 . . . . 71.14 110.184 178.18 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 46' ' ' PRO . . . . . . . . . . . . . 75.7 Cg_exo -51.98 -41.05 66.03 Favored 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 122.572 2.182 . . . . 54.41 111.375 173.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 47' ' ' GLU . . . . . 0.423 ' CD ' ' H ' ' B' ' 47' ' ' GLU . 2.8 mp0 -56.0 -50.84 69.73 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-O 121.74 0.781 . . . . 73.03 109.268 176.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . 0.523 ' OE1' HG22 ' A' ' 7' ' ' THR . 15.7 tp60 -69.04 -30.79 69.21 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 114.76 -1.109 . . . . 65.22 110.68 -177.084 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 49' ' ' LEU . . . . . 0.42 HD13 ' HA3' ' A' ' 53' ' ' GLY . 2.1 tm? -63.45 -53.91 44.75 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.312 -0.625 . . . . 73.15 109.312 179.63 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 40.1 t80 -58.85 -46.08 88.58 Favored 'General case' 0 C--O 1.226 -0.161 0 CA-C-N 116.472 -0.331 . . . . 74.53 110.213 176.307 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . 0.523 ' HB3' HG12 ' B' ' 83' ' ' VAL . . . -53.94 -52.65 59.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.163 -0.471 . . . . 63.22 111.63 -179.825 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -66.21 -46.86 75.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.007 -0.542 . . . . 74.31 110.728 -176.753 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . 0.502 ' HA3' HD11 ' A' ' 49' ' ' LEU . . . -62.73 -34.9 91.01 Favored Glycine 0 C--N 1.333 0.384 0 C-N-CA 121.027 -0.606 . . . . 73.22 111.895 179.26 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -69.91 -41.34 74.8 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 122.683 0.393 . . . . 73.43 110.166 177.705 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 55' ' ' SER . . . . . 0.508 ' OG ' ' HB3' ' B' ' 81' ' ' ALA . 48.9 m -61.89 -49.16 77.3 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.904 -0.406 . . . . 71.55 109.904 177.702 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 56' ' ' ALA . . . . . 0.504 ' HB1' HD21 ' A' ' 30' ' ' LEU . . . -62.52 -39.13 92.54 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.025 -0.534 . . . . 72.32 110.55 177.56 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 57' ' ' CYS . . . . . . . . . . . . . 41.9 t -61.86 -36.47 81.33 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.872 -0.604 . . . . 72.4 109.957 175.476 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 21.9 t80 -62.75 -39.8 95.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.723 -0.671 . . . . 61.11 110.152 -177.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -64.52 -41.22 96.53 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 116.058 -0.519 . . . . 73.31 110.444 176.159 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 60' ' ' SER . . . . . 0.429 ' O ' ' HB3' ' B' ' 63' ' ' LYS . 16.5 t -67.33 -42.3 83.83 Favored 'General case' 0 C--O 1.239 0.539 0 CA-C-O 121.25 0.548 . . . . 73.23 110.384 -179.444 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 61' ' ' ALA . . . . . 0.443 ' O ' HG23 ' B' ' 65' ' ' VAL . . . -60.86 -49.23 78.33 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.076 -0.511 . . . . 44.1 110.014 177.293 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 62' ' ' MET . . . . . 0.471 ' HA ' ' HB ' ' B' ' 65' ' ' VAL . 87.0 mmm -66.84 -27.08 67.26 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.225 -0.443 . . . . 71.0 110.599 177.792 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . 0.429 ' HB3' ' O ' ' B' ' 60' ' ' SER . 19.9 tptm -60.41 -48.9 79.77 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.009 -0.737 . . . . 72.03 109.009 175.776 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 47.1 t80 -69.79 -43.72 71.54 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 115.34 -0.846 . . . . 73.11 110.809 177.12 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 65' ' ' VAL . . . . . 0.471 ' HB ' ' HA ' ' B' ' 62' ' ' MET . 40.1 t -56.47 -45.45 81.94 Favored 'Isoleucine or valine' 0 C--O 1.233 0.234 0 CA-C-N 116.06 -0.518 . . . . 75.05 111.032 -178.693 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 66' ' ' ALA . . . . . 0.414 ' HA ' ' HG3' ' B' ' 71' ' ' GLN . . . -59.08 -32.43 69.79 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.239 0.542 . . . . 74.13 110.237 179.098 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -72.56 -25.17 74.83 Favored Glycine 0 N--CA 1.451 -0.323 0 CA-C-N 115.369 -0.832 . . . . 75.04 112.625 -176.643 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -98.97 -21.49 16.22 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 121.053 0.454 . . . . 64.5 109.8 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 18.8 m-80 -93.76 1.01 56.61 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.712 -0.676 . . . . 65.21 111.142 -178.376 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 70' ' ' LYS . . . . . 0.408 ' HD3' ' N ' ' B' ' 70' ' ' LYS . 21.9 mmtm 65.55 24.14 11.78 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 115.624 -0.717 . . . . 73.12 111.13 172.256 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . 0.414 ' HG3' ' HA ' ' B' ' 66' ' ' ALA . 2.8 pt20 -114.17 167.74 10.42 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.616 -0.72 . . . . 74.24 110.374 -179.524 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 21.4 p -128.19 132.22 48.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 74.12 110.939 -176.711 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 73' ' ' LEU . . . . . 0.435 ' HA ' ' HD3' ' B' ' 74' ' ' PRO . 87.1 mt -109.58 139.61 21.34 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 75.15 110.857 -177.608 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 74' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' B' ' 73' ' ' LEU . 19.1 Cg_exo -67.47 132.52 27.5 Favored 'Trans proline' 0 C--N 1.349 0.587 0 C-N-CA 122.999 2.466 . . . . 74.32 111.751 176.478 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -76.77 -1.56 28.72 Favored 'General case' 0 N--CA 1.465 0.308 0 N-CA-C 112.063 0.394 . . . . 71.53 112.063 -176.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -92.14 3.95 54.22 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-O 121.358 0.599 . . . . 60.22 110.973 -178.501 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 77' ' ' THR . . . . . 0.501 ' HB ' HD21 ' B' ' 103' ' ' LEU . 5.3 t -72.78 152.56 41.53 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-N 116.185 -0.461 . . . . 73.25 111.426 -177.346 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 2.6 p -140.08 154.17 46.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.791 -0.64 . . . . 71.23 110.889 178.534 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 74.2 t -131.12 119.06 43.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 115.583 -0.735 . . . . 54.24 109.338 175.528 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 80' ' ' THR . . . . . 0.482 ' HB ' ' HB3' ' B' ' 100' ' ' ARG . 4.4 m -98.68 109.72 22.44 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.94 -0.573 . . . . 75.2 110.243 -178.412 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 81' ' ' ALA . . . . . 0.508 ' HB3' ' OG ' ' B' ' 55' ' ' SER . . . -93.34 104.58 16.73 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.156 -0.475 . . . . 73.43 110.112 178.792 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 82' ' ' GLU . . . . . 0.458 ' HA ' ' HA ' ' A' ' 8' ' ' ALA . 34.3 tt0 -107.31 107.69 18.72 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.195 -0.669 . . . . 71.23 109.195 179.386 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . 0.523 HG12 ' HB3' ' B' ' 51' ' ' ALA . 23.9 m -107.88 141.72 22.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 121.011 0.434 . . . . 71.44 111.322 -173.889 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 84' ' ' GLY . . . . . 0.424 ' HA2' ' HA ' ' A' ' 6' ' ' LYS . . . -138.38 165.43 25.49 Favored Glycine 0 N--CA 1.441 -1.014 0 CA-C-N 115.699 -0.682 . . . . 52.45 111.586 179.48 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 85' ' ' ILE . . . . . 0.414 HD11 HD12 ' B' ' 36' ' ' LEU . 0.0 OUTLIER -146.43 136.37 17.53 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.809 0 N-CA-C 109.411 -0.589 . . . . 73.1 109.411 -179.915 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 86' ' ' GLY . . . . . 0.476 ' HA2' ' HG ' ' A' ' 4' ' ' LEU . . . -148.45 170.02 29.0 Favored Glycine 0 C--N 1.328 0.089 0 O-C-N 123.659 0.6 . . . . 52.3 111.962 -178.548 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 87' ' ' PRO . . . . . 0.804 ' HD3' ' HG ' ' A' ' 4' ' ' LEU . 7.6 Cg_exo -69.86 117.28 5.0 Favored 'Trans proline' 0 N--CA 1.459 -0.511 0 C-N-CA 122.583 2.188 . . . . 70.05 110.766 -178.406 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 88' ' ' ASN . . . . . . . . . . . . . 50.3 t-20 -71.96 137.64 47.47 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 109.069 -0.715 . . . . 72.3 109.069 178.783 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -65.26 -11.56 42.59 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.236 0.541 . . . . 71.21 110.669 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -67.15 -22.11 65.79 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 115.476 -0.783 . . . . 74.05 110.468 171.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.59 34.82 3.46 Favored Glycine 0 C--N 1.329 0.171 0 CA-C-N 115.675 -0.693 . . . . 72.2 112.005 -177.488 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . -151.49 -133.72 2.05 Favored Glycine 0 N--CA 1.452 -0.275 0 N-CA-C 111.275 -0.73 . . . . 70.13 111.275 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 93' ' ' PHE . . . . . 0.424 ' HE1' ' CZ ' ' A' ' 64' ' ' PHE . 39.7 m-85 -127.51 148.04 50.32 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 117.105 0.452 . . . . 73.12 110.394 179.621 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 94' ' ' ALA . . . . . 0.475 ' HB2' ' HE1' ' A' ' 1' ' ' MET . . . -132.71 136.49 46.44 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.873 -0.603 . . . . 62.21 109.798 -179.35 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -99.82 123.66 44.31 Favored 'General case' 0 C--N 1.331 -0.214 0 O-C-N 123.675 0.61 . . . . 74.21 110.533 -178.74 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 96' ' ' ASP . . . . . 0.446 ' HB2' ' SD ' ' A' ' 1' ' ' MET . 37.2 t70 -110.16 110.28 21.09 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.477 -0.783 . . . . 73.53 109.37 178.685 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 97' ' ' VAL . . . . . 0.818 ' HB ' HG21 ' B' ' 134' ' ' VAL . 57.3 t -112.98 110.8 33.53 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.883 0 CA-C-O 120.577 0.227 . . . . 65.34 111.127 -176.244 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 98' ' ' GLU . . . . . 0.549 ' HG2' ' HB3' ' B' ' 135' ' ' ARG . 43.8 mt-10 -96.5 107.16 19.52 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 110.091 -0.337 . . . . 74.42 110.091 177.314 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 76.9 mt -94.46 108.13 20.07 Favored 'General case' 0 C--O 1.236 0.342 0 CA-C-N 116.244 -0.435 . . . . 75.14 110.091 179.354 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 100' ' ' ARG . . . . . 0.528 ' HA ' ' O ' ' B' ' 137' ' ' VAL . 34.9 ttt-85 -99.46 118.03 35.17 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.736 -0.665 . . . . 70.24 110.149 -176.253 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 101' ' ' VAL . . . . . . . . . . . . . 98.1 t -106.75 109.68 28.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.263 -0.426 . . . . 60.12 111.18 -175.692 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 102' ' ' ALA . . . . . 0.504 ' HA ' ' HB1' ' B' ' 139' ' ' ALA . . . -105.48 101.05 10.6 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.981 0.419 . . . . 53.32 109.961 175.023 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 103' ' ' LEU . . . . . 0.627 ' HB3' HD23 ' B' ' 106' ' ' LEU . 2.7 tm? -111.58 115.12 51.93 Favored Pre-proline 0 C--N 1.328 -0.363 0 N-CA-C 107.971 -1.122 . . . . 72.24 107.971 177.879 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 104' ' ' PRO . . . . . 0.479 ' HD2' HD21 ' B' ' 103' ' ' LEU . 38.8 Cg_endo -69.19 145.01 59.05 Favored 'Trans proline' 0 N--CA 1.46 -0.443 0 C-N-CA 122.199 1.932 . . . . 74.24 112.856 -174.628 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 105' ' ' GLY . . . . . . . . . . . . . . . 73.82 15.13 79.63 Favored Glycine 0 CA--C 1.519 0.295 0 CA-C-N 115.366 -0.834 . . . . 72.34 112.139 -178.234 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 106' ' ' LEU . . . . . 0.627 HD23 ' HB3' ' B' ' 103' ' ' LEU . 42.8 tp -124.53 140.77 52.63 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-O 120.769 0.319 . . . . 65.44 111.054 -176.728 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -79.24 165.04 23.66 Favored 'General case' 0 CA--C 1.512 -0.483 0 CA-C-N 115.948 -0.569 . . . . 63.12 110.804 -179.505 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 108' ' ' ALA . . . . . 0.573 ' O ' ' HG3' ' B' ' 112' ' ' LYS . . . -65.71 -46.55 78.53 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.876 -0.602 . . . . 74.55 109.437 169.635 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -56.64 -51.19 69.64 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 115.564 -0.744 . . . . 64.51 111.273 -176.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 110' ' ' ALA . . . . . 0.478 ' O ' HG21 ' B' ' 113' ' ' THR . . . -71.51 -42.52 67.9 Favored 'General case' 0 C--O 1.238 0.49 0 CA-C-N 115.957 -0.565 . . . . 72.03 110.4 -179.489 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 111' ' ' ALA . . . . . 0.43 ' HA ' HD22 ' B' ' 106' ' ' LEU . . . -54.59 -37.39 65.48 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.059 -0.519 . . . . 64.14 111.108 178.872 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 112' ' ' LYS . . . . . 0.573 ' HG3' ' O ' ' B' ' 108' ' ' ALA . 29.2 mtpp -53.1 -49.32 66.69 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.483 -0.326 . . . . 74.45 110.947 178.094 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 113' ' ' THR . . . . . 0.478 HG21 ' O ' ' B' ' 110' ' ' ALA . 1.2 t -74.5 -36.22 63.24 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.351 -0.386 . . . . 72.03 110.615 -176.479 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 48.2 mt -65.6 -46.3 79.88 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 120.849 0.356 . . . . 72.05 110.616 -179.231 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 115' ' ' VAL . . . . . 0.403 HG22 ' O ' ' B' ' 111' ' ' ALA . 86.1 t -66.09 -33.65 64.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.023 -0.535 . . . . 63.55 110.146 177.504 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 23.7 t0 -63.18 -56.74 14.16 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 115.93 -0.577 . . . . 75.43 111.047 178.732 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 117' ' ' ARG . . . . . 0.432 ' HG2' ' O ' ' B' ' 113' ' ' THR . 14.7 ptm180 -64.93 -35.02 79.83 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-O 121.178 0.513 . . . . 70.2 110.4 -177.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -61.59 -36.47 80.77 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.674 -0.694 . . . . 61.11 109.818 174.469 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 19.5 m-70 -81.73 13.77 3.01 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 116.061 -0.518 . . . . 74.31 112.137 174.331 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 67.4 m170 -106.66 -50.95 3.02 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-O 120.983 0.421 . . . . 73.32 110.807 174.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 32.0 m -84.81 27.53 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.491 0 N-CA-C 113.504 0.927 . . . . 73.14 113.504 -168.114 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 122' ' ' CYS . . . . . . . . . . . . . 84.7 m -144.26 139.79 16.15 Favored Pre-proline 0 CA--C 1.534 0.362 0 O-C-N 122.221 -0.3 . . . . 74.53 110.776 179.272 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 123' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_endo -61.22 -43.3 29.78 Favored 'Trans proline' 0 C--N 1.352 0.76 0 C-N-CA 122.752 2.301 . . . . 65.25 111.886 -179.487 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 124' ' ' TYR . . . . . . . . . . . . . 55.7 m-85 . . . . . 0 N--CA 1.464 0.256 0 CA-C-O 121.27 0.557 . . . . 65.35 110.395 178.517 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 128' ' ' THR . . . . . 0.501 ' HG1' HG22 ' B' ' 134' ' ' VAL . 1.4 t . . . . . 0 C--O 1.223 -0.33 0 N-CA-C 109.149 -0.685 . . . . 64.4 109.149 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 129' ' ' ARG . . . . . . . . . . . . . 14.8 ptm180 -112.14 -46.62 3.18 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 115.594 -0.73 . . . . 75.21 110.603 -176.007 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 130' ' ' ASN . . . . . . . . . . . . . 53.3 m-80 -78.82 -39.84 34.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.149 0.5 . . . . 74.14 111.322 179.072 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 131' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -94.68 -38.77 10.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.775 -0.648 . . . . 75.43 111.148 -172.371 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 132' ' ' VAL . . . . . . . . . . . . . 47.4 t -112.4 153.84 13.97 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.426 0 CA-C-O 120.723 0.297 . . . . 62.31 111.235 -172.363 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 133' ' ' ALA . . . . . . . . . . . . . . . -84.96 95.2 8.98 Favored 'General case' 0 C--O 1.239 0.5 0 CA-C-O 121.57 0.7 . . . . 72.23 110.937 -179.756 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 134' ' ' VAL . . . . . 0.818 HG21 ' HB ' ' B' ' 97' ' ' VAL . 77.2 t -125.33 113.53 35.73 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.469 0 CA-C-N 115.182 -0.917 . . . . 64.53 111.196 -177.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 135' ' ' ARG . . . . . 0.549 ' HB3' ' HG2' ' B' ' 98' ' ' GLU . 17.4 tpt180 -74.33 110.95 9.04 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.389 -0.823 . . . . 74.32 109.862 175.383 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 136' ' ' LEU . . . . . 0.406 HD22 ' HA ' ' B' ' 136' ' ' LEU . 40.5 mt -81.62 109.44 16.06 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.05 0.452 . . . . 72.41 110.193 175.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 137' ' ' VAL . . . . . 0.528 ' O ' ' HA ' ' B' ' 100' ' ' ARG . 0.2 OUTLIER -119.53 116.36 50.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.626 -0.715 . . . . 74.23 110.04 -179.006 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 138' ' ' VAL . . . . . . . . . . . . . 4.2 m -99.17 138.62 23.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.999 -0.546 . . . . 70.52 109.635 179.314 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 139' ' ' ALA . . . . . 0.504 ' HB1' ' HA ' ' B' ' 102' ' ' ALA . . . . . . . . 0 C--O 1.251 1.158 0 CA-C-N 115.775 -0.648 . . . . 71.35 110.419 -175.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.0 ptt? . . . . . 0 N--CA 1.481 1.105 0 N-CA-C 110.337 -0.246 . . . . 71.43 110.337 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 41.4 t30 -76.36 74.36 3.13 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-O 121.335 0.588 . . . . 75.52 110.436 177.373 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.497 HG23 ' HB2' ' A' ' 6' ' ' LYS . 30.8 mm -70.74 131.7 34.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.48 -0.782 . . . . 51.02 111.114 174.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.707 ' HG ' ' HD3' ' B' ' 87' ' ' PRO . 88.9 mt -86.62 -43.45 12.64 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.931 -0.577 . . . . 74.21 110.122 176.068 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 43.6 t80 -138.31 130.06 28.07 Favored 'General case' 0 C--O 1.222 -0.366 0 CA-C-N 115.934 -0.576 . . . . 73.42 110.112 -177.366 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.497 ' HB2' HG23 ' A' ' 3' ' ' ILE . 28.4 ttmt -143.6 130.7 20.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.772 0.32 . . . . 62.42 111.108 177.456 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 9.3 t -125.46 148.8 48.7 Favored 'General case' 0 C--O 1.238 0.453 0 CA-C-N 115.843 -0.617 . . . . 73.02 109.89 179.281 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.467 ' HB3' ' HB3' ' A' ' 22' ' ' HIS . . . -110.9 155.59 22.41 Favored 'General case' 0 C--O 1.238 0.455 0 CA-C-O 121.237 0.541 . . . . 64.34 112.076 -176.182 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.579 ' HA ' ' HA ' ' A' ' 21' ' ' SER . . . -153.5 116.97 4.65 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.226 -0.897 . . . . 73.03 109.662 176.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.524 ' HA ' ' HA ' ' B' ' 80' ' ' THR . 14.4 t -102.63 142.89 33.04 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.833 -0.432 . . . . 73.43 109.833 -179.249 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.43 ' HA ' ' O ' ' A' ' 18' ' ' ARG . 23.3 p -127.84 113.78 16.37 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.157 0.504 . . . . 74.42 111.057 -177.627 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.426 ' HB ' ' HB3' ' A' ' 18' ' ' ARG . 3.0 m -81.32 157.45 25.08 Favored 'General case' 0 C--O 1.248 0.99 0 CA-C-N 115.927 -0.579 . . . . 72.12 110.717 177.213 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -72.94 73.34 1.03 Allowed Glycine 0 N--CA 1.444 -0.817 0 CA-C-N 115.542 -0.754 . . . . 62.44 112.367 175.57 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -67.64 -169.19 4.38 Favored Glycine 0 C--N 1.332 0.319 0 C-N-CA 120.949 -0.643 . . . . 62.02 111.698 171.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 10.6 mpt_? -51.48 -46.68 63.21 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 116.991 0.395 . . . . 73.04 110.397 178.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.541 ' HB3' ' HA ' ' A' ' 31' ' ' SER . 19.5 t70 -125.8 -43.05 1.87 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.985 -0.552 . . . . 74.22 109.6 173.852 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -163.85 144.89 9.86 Favored Glycine 0 C--N 1.345 1.082 0 C-N-CA 120.136 -1.03 . . . . 73.12 111.957 165.307 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.43 ' O ' ' HA ' ' A' ' 11' ' ' SER . 4.0 tmt_? -123.84 100.65 6.86 Favored 'General case' 0 C--O 1.221 -0.42 0 CA-C-N 117.448 0.624 . . . . 73.24 109.343 179.196 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.431 ' HB2' ' HB1' ' B' ' 52' ' ' ALA . . . -104.33 139.75 38.86 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 121.172 0.51 . . . . 71.12 111.236 -170.271 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.419 ' OG1' ' NH1' ' A' ' 18' ' ' ARG . 24.3 m -149.75 113.23 4.98 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 116.026 -0.534 . . . . 65.23 110.84 -177.869 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.579 ' HA ' ' HA ' ' A' ' 9' ' ' ALA . 47.9 t -69.83 111.31 5.48 Favored 'General case' 0 C--O 1.246 0.889 0 N-CA-C 107.951 -1.129 . . . . 62.3 107.951 177.834 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.467 ' HB3' ' HB3' ' A' ' 8' ' ' ALA . 57.2 t-80 -55.51 -24.44 31.71 Favored 'General case' 0 C--N 1.347 0.466 0 O-C-N 126.207 2.192 . . . . 71.44 112.835 -166.457 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.539 ' HB2' ' HZ3' ' A' ' 25' ' ' LYS . 14.7 m-20 -80.47 16.92 1.19 Allowed 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.646 -0.501 . . . . 73.43 109.646 178.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.435 ' H ' ' C ' ' A' ' 22' ' ' HIS . 28.2 mm-40 69.27 20.35 7.48 Favored 'General case' 0 CA--C 1.521 -0.155 0 CA-C-N 115.432 -0.804 . . . . 72.53 109.989 177.387 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.539 ' HZ3' ' HB2' ' A' ' 23' ' ' ASP . 26.9 mtmm -86.21 -25.49 25.6 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 115.428 -0.806 . . . . 73.44 111.106 -179.787 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.526 ' N ' ' HB3' ' A' ' 21' ' ' SER . 55.9 tp -145.98 148.16 32.45 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 119.848 -0.741 . . . . 74.42 111.202 -178.422 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -161.32 91.44 0.85 Allowed 'General case' 0 CA--C 1.534 0.338 0 O-C-N 123.734 0.646 . . . . 74.5 109.849 179.702 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.401 HG21 HD11 ' A' ' 26' ' ' LEU . 4.2 m -148.88 178.09 0.79 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.464 0 CA-C-O 121.778 0.799 . . . . 62.12 111.838 178.902 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -121.7 148.12 45.02 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 114.752 -1.113 . . . . 62.42 109.163 176.136 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.723 ' HA ' ' H ' ' A' ' 44' ' ' THR . 0.0 OUTLIER -127.96 156.07 43.25 Favored 'General case' 0 C--O 1.254 1.333 0 N-CA-C 110.064 -0.347 . . . . 73.21 110.064 173.366 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.541 ' HA ' ' HB3' ' A' ' 16' ' ' ASP . 49.0 m -160.07 140.42 11.76 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 115.227 -0.897 . . . . 75.34 111.257 -175.333 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.33 146.46 88.97 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 115.665 -0.698 . . . . 52.21 109.495 173.555 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_endo -67.04 14.69 0.13 Allowed 'Trans proline' 0 CA--C 1.537 0.673 0 C-N-CA 123.192 2.595 . . . . 73.33 114.712 -169.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 71.8 -37.12 0.38 Allowed 'General case' 0 CA--C 1.539 0.541 0 N-CA-C 112.988 0.736 . . . . 64.52 112.988 177.011 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -48.31 -31.76 6.46 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-O 121.556 0.693 . . . . 75.14 111.495 179.085 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 13.4 mt -108.79 17.71 21.55 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.161 -0.927 . . . . 73.53 110.958 -171.225 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 80.94 54.25 3.68 Favored Glycine 0 CA--C 1.52 0.345 0 C-N-CA 121.03 -0.605 . . . . 72.22 111.606 -176.239 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -83.42 -88.22 0.77 Allowed Glycine 0 C--N 1.332 0.322 0 C-N-CA 121.357 -0.449 . . . . 73.44 112.973 -176.403 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -167.41 -42.93 0.02 OUTLIER 'General case' 0 C--O 1.233 0.219 0 CA-C-O 120.869 0.366 . . . . 63.22 111.2 179.099 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 96.5 64.09 0.93 Allowed Glycine 0 C--O 1.235 0.179 0 N-CA-C 110.614 -0.995 . . . . 45.53 110.614 -176.034 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.448 ' HB2' ' OG ' ' A' ' 31' ' ' SER . . . -136.01 176.65 8.5 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.247 0.546 . . . . 51.12 111.833 -174.669 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -103.04 80.23 1.84 Allowed 'General case' 0 CA--C 1.514 -0.418 0 CA-C-N 115.021 -0.991 . . . . 71.23 109.642 -178.053 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -144.59 -164.93 10.8 Favored Glycine 0 C--N 1.31 -0.908 0 CA-C-N 114.478 -1.237 . . . . 55.55 112.603 -179.722 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.723 ' H ' ' HA ' ' A' ' 30' ' ' LEU . 12.2 t -111.58 150.56 29.86 Favored 'General case' 0 C--O 1.234 0.262 0 N-CA-C 109.057 -0.72 . . . . 74.01 109.057 178.875 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.548 ' HB2' ' HB3' ' A' ' 48' ' ' GLN . 1.5 m-20 -65.92 138.89 96.54 Favored Pre-proline 0 C--N 1.325 -0.492 0 N-CA-C 110.339 -0.245 . . . . 72.33 110.339 -176.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 45' ' ' ASN . 31.4 Cg_exo -59.65 -58.16 0.67 Allowed 'Trans proline' 0 C--N 1.349 0.572 0 C-N-CA 123.039 2.493 . . . . 63.04 112.941 -175.351 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.11 -31.28 72.06 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-O 120.913 0.387 . . . . 62.13 110.299 -177.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.548 ' HB3' ' HB2' ' A' ' 45' ' ' ASN . 34.0 tt0 -63.13 -44.42 95.63 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 115.843 -0.617 . . . . 74.41 110.308 174.289 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -61.22 -50.31 73.61 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.308 -0.86 . . . . 71.11 109.805 -179.31 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 39.8 t80 -59.2 -49.4 77.99 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 115.97 -0.559 . . . . 65.21 110.544 178.31 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.437 ' HB3' HG13 ' A' ' 83' ' ' VAL . . . -53.41 -53.15 55.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.277 -0.419 . . . . 52.03 111.827 177.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.58 -45.76 90.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 73.32 110.998 -178.452 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.512 ' HA3' HD13 ' B' ' 49' ' ' LEU . . . -65.77 -40.57 95.74 Favored Glycine 0 C--N 1.333 0.399 0 CA-C-N 115.917 -0.583 . . . . 45.35 112.33 -179.576 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -69.73 -39.07 77.03 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 110.111 -0.329 . . . . 74.55 110.111 179.622 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 31.2 t -63.52 -47.71 80.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.072 0.463 . . . . 73.1 109.834 178.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.495 ' HB3' HD21 ' B' ' 30' ' ' LEU . . . -64.27 -44.6 91.22 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.84 -0.618 . . . . 72.41 110.515 178.327 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 42.0 t -60.19 -36.67 78.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.899 -0.591 . . . . 74.4 110.006 177.298 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 33.5 t80 -62.66 -50.13 72.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.529 -0.76 . . . . 74.24 110.747 -177.017 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.521 HD12 ' N ' ' A' ' 60' ' ' SER . 4.5 pp -69.23 -37.65 78.13 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 116.462 -0.335 . . . . 74.12 111.024 -177.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.521 ' N ' HD12 ' A' ' 59' ' ' LEU . 50.1 m -68.58 -38.61 80.81 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-O 120.803 0.335 . . . . 74.4 110.55 177.905 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.24 -42.28 84.23 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.005 0.431 . . . . 64.15 110.04 178.164 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' MET . . . . . 0.573 ' HE3' ' HA ' ' A' ' 62' ' ' MET . 4.7 tpt -61.26 -40.83 95.54 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 115.688 -0.687 . . . . 61.32 109.847 177.028 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 48.8 tptt -63.38 -42.67 98.85 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 115.626 -0.716 . . . . 62.32 109.895 177.477 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.412 ' CZ ' ' HE1' ' B' ' 93' ' ' PHE . 87.1 t80 -61.08 -49.18 78.36 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 115.811 -0.631 . . . . 70.35 110.467 177.655 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 54.0 t -53.43 -48.68 57.0 Favored 'Isoleucine or valine' 0 C--O 1.235 0.319 0 CA-C-N 115.946 -0.57 . . . . 51.41 110.433 177.628 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -53.56 -34.79 59.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.908 -0.587 . . . . 55.45 110.493 178.591 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -69.28 -31.66 71.79 Favored Glycine 0 N--CA 1.45 -0.394 0 CA-C-N 115.43 -0.805 . . . . 65.01 112.267 -177.204 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -98.75 -7.32 27.81 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.34 0.591 . . . . 73.33 109.549 -179.126 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -100.95 3.75 41.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.245 -0.888 . . . . 73.35 110.5 176.511 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 33.4 mmtt 65.47 23.6 11.9 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 115.131 -0.94 . . . . 70.5 111.129 170.51 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -119.45 166.87 12.53 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.58 -0.736 . . . . 65.11 110.329 -179.089 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 19.9 p -122.23 128.88 51.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.478 -0.328 . . . . 71.13 111.421 -178.296 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 89.8 mt -109.79 137.97 20.56 Favored Pre-proline 0 C--N 1.326 -0.453 0 CA-C-N 115.945 -0.57 . . . . 64.52 110.526 177.158 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_exo -59.22 142.01 98.65 Favored 'Trans proline' 0 C--N 1.35 0.627 0 C-N-CA 123.276 2.651 . . . . 75.32 113.224 -176.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -77.45 -9.24 58.77 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.522 0.677 . . . . 74.43 110.603 174.438 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -85.21 16.65 3.45 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.127 -0.942 . . . . 72.44 111.255 -176.433 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.402 ' HB ' HD22 ' A' ' 103' ' ' LEU . 7.5 t -95.25 161.0 14.28 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.118 0.485 . . . . 74.0 111.512 -176.472 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 26.3 m -150.68 149.38 29.75 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.808 -0.633 . . . . 72.13 109.819 179.567 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 97.5 t -129.59 121.12 52.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 N-CA-C 109.446 -0.576 . . . . 73.54 109.446 176.252 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 38.8 m -105.38 115.5 30.36 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.659 -0.7 . . . . 61.0 110.787 -177.355 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -102.56 105.22 15.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.757 -0.656 . . . . 75.0 109.7 178.06 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.47 ' HA ' ' HA ' ' B' ' 8' ' ' ALA . 44.0 tt0 -104.79 113.02 26.35 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 110.075 -0.343 . . . . 75.53 110.075 -179.668 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.692 HG12 ' HB ' ' A' ' 97' ' ' VAL . 11.0 m -104.46 137.27 34.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 121.205 0.526 . . . . 74.25 111.695 -176.877 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . 0.401 ' HA2' ' HA ' ' B' ' 6' ' ' LYS . . . -133.16 160.04 23.78 Favored Glycine 0 N--CA 1.442 -0.947 0 CA-C-N 115.363 -0.835 . . . . 64.22 111.497 174.418 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -143.8 136.64 23.94 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.761 0 N-CA-C 109.178 -0.675 . . . . 71.32 109.178 179.088 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -153.41 170.01 32.23 Favored Glycine 0 C--O 1.228 -0.22 0 N-CA-C 111.472 -0.651 . . . . 64.2 111.472 -177.723 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . 0.731 ' HD3' ' HG ' ' B' ' 4' ' ' LEU . 3.1 Cg_exo -73.62 135.0 21.18 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.489 2.126 . . . . 75.13 111.385 -178.65 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . 0.505 ' HB2' ' HB1' ' A' ' 94' ' ' ALA . 19.2 t-20 -88.3 149.14 23.95 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.644 -0.502 . . . . 63.43 109.644 178.448 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -63.02 -13.49 36.06 Favored 'General case' 0 N--CA 1.466 0.372 0 O-C-N 123.194 0.309 . . . . 74.31 111.45 -178.167 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -67.16 -24.29 65.87 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-O 121.149 0.5 . . . . 62.35 110.589 174.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.13 34.97 3.53 Favored Glycine 0 CA--C 1.516 0.146 0 CA-C-N 115.822 -0.626 . . . . 52.42 111.799 -175.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -148.31 -144.53 3.99 Favored Glycine 0 C--N 1.33 0.233 0 N-CA-C 111.202 -0.759 . . . . 74.12 111.202 -179.476 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 31.5 m-85 -105.99 164.68 11.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 117.124 0.462 . . . . 72.25 111.045 178.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . 0.505 ' HB1' ' HB2' ' A' ' 88' ' ' ASN . . . -149.29 131.56 15.53 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 108.88 -0.785 . . . . 73.43 108.88 177.548 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -100.17 146.8 26.41 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.128 0.49 . . . . 75.45 111.16 -177.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -137.09 132.03 33.52 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 114.567 -1.197 . . . . 62.1 108.603 -177.356 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.713 HG13 HG21 ' A' ' 134' ' ' VAL . 0.6 OUTLIER -146.77 122.06 2.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 121.475 0.655 . . . . 41.42 111.642 174.883 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -100.06 123.04 43.85 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.212 -0.904 . . . . 52.25 110.023 -179.117 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 73.1 mt -105.46 106.48 17.0 Favored 'General case' 0 C--O 1.233 0.225 0 N-CA-C 109.765 -0.457 . . . . 73.33 109.765 175.452 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . 0.506 ' HA ' HG13 ' A' ' 137' ' ' VAL . 12.5 ttt85 -103.62 107.8 18.81 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.254 -0.885 . . . . 73.43 109.388 -175.822 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 53.3 t -102.5 97.47 5.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 120.627 0.251 . . . . 72.23 110.612 -172.158 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -91.91 101.25 13.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.908 0.385 . . . . 73.1 110.337 -179.322 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.402 HD22 ' HB ' ' A' ' 77' ' ' THR . 3.4 mt -116.42 116.95 38.91 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 115.924 -0.58 . . . . 73.31 110.023 -179.389 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -74.47 149.37 39.28 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.439 2.093 . . . . 73.52 112.38 -179.419 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 68.92 15.11 68.87 Favored Glycine 0 CA--C 1.523 0.59 0 CA-C-N 115.644 -0.707 . . . . 54.45 113.122 -179.635 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.419 HD23 ' HA ' ' A' ' 111' ' ' ALA . 37.3 tp -121.7 141.96 50.64 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 120.75 0.309 . . . . 65.03 111.018 -176.641 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -76.42 164.3 26.12 Favored 'General case' 0 CA--C 1.513 -0.471 0 CA-C-N 116.126 -0.488 . . . . 72.42 110.793 178.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . 0.445 ' O ' ' HG3' ' A' ' 112' ' ' LYS . . . -68.63 -45.61 71.41 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.27 -0.877 . . . . 74.35 109.908 170.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -64.36 -42.21 96.32 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 115.4 -0.818 . . . . 64.13 110.906 -175.42 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . 0.505 ' O ' HG22 ' A' ' 113' ' ' THR . . . -72.77 -44.12 61.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.725 -0.67 . . . . 73.25 110.009 178.066 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . 0.419 ' HA ' HD23 ' A' ' 106' ' ' LEU . . . -54.76 -40.94 69.88 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.018 -0.537 . . . . 54.13 111.139 179.684 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . 0.728 ' HZ2' ' HB3' ' A' ' 112' ' ' LYS . 9.9 mtpm? -54.25 -49.35 69.71 Favored 'General case' 0 CA--C 1.529 0.171 0 CA-C-O 120.577 0.227 . . . . 74.23 110.963 178.288 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' THR . . . . . 0.505 HG22 ' O ' ' A' ' 110' ' ' ALA . 0.9 OUTLIER -70.08 -34.98 73.85 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 116.556 -0.293 . . . . 74.22 110.306 -176.417 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.458 ' HG ' ' O ' ' A' ' 110' ' ' ALA . 42.3 mt -64.73 -50.08 68.31 Favored 'General case' 0 N--CA 1.46 0.032 0 CA-C-N 116.32 -0.4 . . . . 61.01 110.254 179.33 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . 0.477 HG21 HG12 ' A' ' 138' ' ' VAL . 87.6 t -63.9 -35.14 72.29 Favored 'Isoleucine or valine' 0 C--O 1.238 0.476 0 CA-C-N 116.322 -0.399 . . . . 72.22 110.53 178.304 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -58.66 -61.23 2.76 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 116.148 -0.478 . . . . 65.51 109.949 178.612 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . 0.438 ' HG2' ' O ' ' A' ' 113' ' ' THR . 10.8 ptm180 -64.97 -36.12 83.37 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.144 -0.48 . . . . 65.24 110.637 -177.382 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -57.0 -51.82 67.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.006 -0.543 . . . . 63.41 111.257 179.706 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . 0.418 ' HE2' ' NH1' ' A' ' 129' ' ' ARG . 10.5 p-80 -77.79 1.4 20.34 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 121.176 -0.209 . . . . 74.13 110.628 -179.288 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 47.7 t-80 -101.25 -35.17 9.36 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.555 -0.293 . . . . 75.14 110.791 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 34.5 m -82.51 -20.81 9.74 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.289 0 CA-C-N 116.389 -0.369 . . . . 74.54 111.01 -178.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 74.0 m -83.98 146.08 48.01 Favored Pre-proline 0 CA--C 1.532 0.282 0 CA-C-N 116.234 -0.439 . . . . 72.12 110.183 178.34 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -53.08 -30.61 50.45 Favored 'Trans proline' 0 C--N 1.353 0.807 0 C-N-CA 122.787 2.325 . . . . 75.04 112.192 179.243 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -81.82 69.66 8.55 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 108.387 -0.968 . . . . 65.44 108.387 177.823 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' SER . . . . . 0.549 ' O ' HG23 ' A' ' 128' ' ' THR . 30.8 t -118.53 -81.01 0.62 Allowed 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 116.014 -0.539 . . . . 65.33 111.466 -174.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 33.5 t30 -60.33 -41.85 94.43 Favored 'General case' 0 C--O 1.237 0.434 0 CA-C-O 121.614 0.721 . . . . 73.42 109.941 -177.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -68.38 -13.32 62.2 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 114.953 -1.021 . . . . 54.1 111.756 -179.158 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' THR . . . . . 0.549 HG23 ' O ' ' A' ' 125' ' ' SER . 0.6 OUTLIER -107.95 3.29 24.0 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.243 0.544 . . . . 73.21 110.009 -171.643 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . 0.418 ' NH1' ' HE2' ' A' ' 119' ' ' HIS . 14.2 ptm180 -128.22 -59.52 1.17 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.135 -0.484 . . . . 72.04 110.862 179.651 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 88.3 m-20 -79.4 -34.28 41.95 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.86 0.362 . . . . 71.52 111.195 -177.365 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 12.2 t30 -89.64 -37.94 14.27 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 116.193 -0.458 . . . . 72.12 111.36 -176.379 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 99.3 t -121.29 138.19 52.48 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.42 0 N-CA-C 110.4 -0.222 . . . . 70.22 110.4 -179.275 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -78.52 92.91 4.71 Favored 'General case' 0 C--O 1.24 0.565 0 CA-C-O 121.424 0.631 . . . . 45.42 111.333 -178.176 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . 0.713 HG21 HG13 ' A' ' 97' ' ' VAL . 90.1 t -106.59 130.05 59.06 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.536 0 CA-C-N 115.239 -0.891 . . . . 75.02 110.738 176.816 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 13.8 mmt180 -95.26 102.57 14.39 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 108.596 -0.89 . . . . 74.34 108.596 176.407 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . 0.408 HD23 ' HA ' ' A' ' 136' ' ' LEU . 40.1 mt -77.81 110.95 13.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.409 0.623 . . . . 50.04 110.547 178.688 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . 0.506 HG13 ' HA ' ' A' ' 100' ' ' ARG . 0.2 OUTLIER -126.37 115.6 42.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 115.079 -0.964 . . . . 74.42 110.086 -178.648 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . 0.477 HG12 HG21 ' A' ' 115' ' ' VAL . 3.4 m -93.3 138.96 19.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.772 -0.649 . . . . 71.15 109.816 179.485 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.315 -0.894 0 CA-C-N 115.971 -0.558 . . . . 73.13 110.807 -175.242 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 27.4 ptm . . . . . 0 C--O 1.235 0.317 0 CA-C-O 121.257 0.551 . . . . 72.42 110.358 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 36.9 t30 -100.48 86.24 3.12 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.264 -0.88 . . . . 61.35 109.527 177.731 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . 0.521 HG21 ' HB2' ' B' ' 6' ' ' LYS . 25.8 mm -66.24 118.67 9.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 115.83 -0.623 . . . . 72.42 111.029 178.711 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . 0.731 ' HG ' ' HD3' ' A' ' 87' ' ' PRO . 90.1 mt -70.61 -44.26 67.63 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.424 -0.807 . . . . 75.25 109.842 177.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 5' ' ' TYR . . . . . . . . . . . . . 29.8 t80 -139.89 129.83 24.82 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.957 -0.565 . . . . 75.45 110.898 -178.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . 0.521 ' HB2' HG21 ' B' ' 3' ' ' ILE . 28.4 ttmt -137.85 130.06 29.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.985 0.421 . . . . 65.01 110.814 174.683 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 7' ' ' THR . . . . . 0.433 HG21 ' HB2' ' A' ' 48' ' ' GLN . 9.5 t -128.12 141.36 51.51 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.689 -0.687 . . . . 73.02 109.535 177.201 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . 0.47 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . . . -109.81 135.88 50.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.043 0.449 . . . . 64.22 110.879 -177.459 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -122.62 136.42 54.88 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.33 -0.619 . . . . 71.2 109.33 175.39 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 9.3 t -120.99 121.28 37.64 Favored 'General case' 0 N--CA 1.443 -0.81 0 N-CA-C 108.117 -1.068 . . . . 64.31 108.117 -177.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 70.4 m -119.13 113.47 20.96 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-N 115.559 -0.746 . . . . 74.14 110.661 -171.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 4.4 m -95.86 157.12 16.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 73.24 110.714 -177.535 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -93.09 65.71 1.91 Allowed Glycine 0 N--CA 1.452 -0.29 0 N-CA-C 110.826 -0.91 . . . . 71.12 110.826 174.624 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -56.49 -100.94 0.01 OUTLIER Glycine 0 C--N 1.339 0.702 0 C-N-CA 121.33 -0.462 . . . . 73.4 113.26 -176.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 4.4 mpt_? -88.82 -52.8 4.93 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 122.534 -0.392 . . . . 65.14 110.76 178.504 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 16' ' ' ASP . . . . . 0.415 ' HB2' ' HB2' ' B' ' 41' ' ' ALA . 10.0 t0 -125.84 -43.42 1.85 Allowed 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 121.407 0.623 . . . . 65.33 109.38 178.103 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 17' ' ' GLY . . . . . 0.509 ' O ' ' HG3' ' B' ' 29' ' ' LYS . . . -171.17 159.09 30.86 Favored Glycine 0 C--N 1.335 0.488 0 N-CA-C 110.479 -1.048 . . . . 74.22 110.479 160.337 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 18' ' ' ARG . . . . . 0.47 ' HA ' ' HA ' ' B' ' 29' ' ' LYS . 71.0 ttt180 -141.35 152.62 44.54 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 117.762 0.781 . . . . 74.4 110.524 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -145.82 124.03 12.22 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 116.259 -0.428 . . . . 64.31 110.325 179.509 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 27.9 m -132.73 112.43 11.98 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.329 -0.396 . . . . 75.11 110.433 -177.629 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 21' ' ' SER . . . . . 0.483 ' HB3' ' N ' ' B' ' 26' ' ' LEU . 31.3 t -68.42 108.0 3.09 Favored 'General case' 0 C--O 1.246 0.875 0 N-CA-C 107.47 -1.307 . . . . 74.21 107.47 175.38 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 22' ' ' HIS . . . . . 0.421 ' C ' ' H ' ' B' ' 24' ' ' GLN . 84.7 t60 -61.26 -14.88 29.53 Favored 'General case' 0 N--CA 1.468 0.431 0 O-C-N 125.626 1.829 . . . . 73.12 112.363 -166.493 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . 0.451 ' HB2' ' HG2' ' B' ' 25' ' ' LYS . 2.2 m-20 -80.19 12.38 2.91 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.465 -0.569 . . . . 63.54 109.465 176.559 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 24' ' ' GLN . . . . . 0.421 ' H ' ' C ' ' B' ' 22' ' ' HIS . 29.5 mm-40 67.9 24.13 8.14 Favored 'General case' 0 CA--C 1.519 -0.247 0 CA-C-N 115.137 -0.938 . . . . 71.43 109.734 -179.08 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . 0.497 ' HG3' HE22 ' A' ' 48' ' ' GLN . 75.4 mmtt -82.68 -35.07 27.14 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 114.813 -1.085 . . . . 41.25 110.026 178.084 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . 0.483 ' N ' ' HB3' ' B' ' 21' ' ' SER . 58.5 tp -147.78 146.66 29.26 Favored 'General case' 0 C--N 1.345 0.406 0 C-N-CA 120.017 -0.673 . . . . 73.34 111.759 -174.777 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -153.47 97.76 2.17 Favored 'General case' 0 C--N 1.331 -0.21 0 O-C-N 123.701 0.626 . . . . 53.33 109.421 173.366 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 4.4 m -141.07 177.87 3.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 121.277 0.561 . . . . 74.12 111.46 179.687 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . 0.509 ' HG3' ' O ' ' B' ' 17' ' ' GLY . 35.6 tttm -131.72 143.43 50.25 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 114.902 -1.045 . . . . 74.12 110.108 -177.724 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . 0.78 ' HA ' ' H ' ' B' ' 44' ' ' THR . 0.0 OUTLIER -127.98 176.98 7.19 Favored 'General case' 0 C--O 1.253 1.285 0 CA-C-O 121.116 0.484 . . . . 72.32 110.695 176.043 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 12.0 p -145.71 153.62 41.17 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.058 -0.974 . . . . 62.35 111.677 -174.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -93.32 129.18 39.83 Favored Pre-proline 0 C--O 1.236 0.387 0 CA-C-N 115.969 -0.56 . . . . 75.13 109.681 174.027 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 33' ' ' PRO . . . . . 0.436 ' HG3' ' ND2' ' B' ' 45' ' ' ASN . 74.0 Cg_exo -49.33 107.88 0.17 Allowed 'Trans proline' 0 C--N 1.352 0.757 0 C-N-CA 122.874 2.383 . . . . 72.21 112.495 -177.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 34' ' ' ARG . . . . . 0.512 ' HB2' ' HA3' ' B' ' 40' ' ' GLY . 62.6 ttt180 -64.84 -20.16 66.26 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 120.909 0.385 . . . . 71.43 110.872 -178.09 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 42.4 mm-40 -50.29 -27.87 6.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.579 -0.737 . . . . 72.42 111.482 175.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 41.7 mt -110.47 13.52 22.72 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.969 -0.559 . . . . 63.52 111.008 -173.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 94.75 59.73 1.12 Allowed Glycine 0 C--N 1.333 0.414 0 CA-C-N 115.925 -0.579 . . . . 51.22 112.774 178.773 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -128.72 -134.83 3.88 Favored Glycine 0 C--N 1.333 0.378 0 N-CA-C 111.705 -0.558 . . . . 64.12 111.705 179.149 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 39' ' ' ALA . . . . . 0.403 ' O ' ' HD2' ' B' ' 34' ' ' ARG . . . -118.34 -29.0 5.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.635 0.255 . . . . 71.25 110.831 179.742 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 40' ' ' GLY . . . . . 0.512 ' HA3' ' HB2' ' B' ' 34' ' ' ARG . . . 52.39 47.74 55.87 Favored Glycine 0 C--N 1.334 0.451 0 CA-C-N 116.164 -0.471 . . . . 53.13 113.487 177.734 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . 0.478 ' HB2' ' HZ1' ' B' ' 29' ' ' LYS . . . -79.44 174.81 11.19 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.684 0.278 . . . . 75.21 110.796 178.024 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . 0.419 ' O ' ' HG3' ' B' ' 42' ' ' GLU . 10.7 pt-20 -68.41 80.56 0.25 Allowed 'General case' 0 CA--C 1.534 0.358 0 CA-C-O 121.662 0.744 . . . . 74.14 110.355 176.676 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -145.74 -170.62 14.66 Favored Glycine 0 C--N 1.316 -0.558 0 CA-C-N 115.607 -0.724 . . . . 72.12 112.449 175.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 44' ' ' THR . . . . . 0.78 ' H ' ' HA ' ' B' ' 30' ' ' LEU . 31.2 p -102.08 179.32 4.36 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.864 0.364 . . . . 70.51 111.029 179.069 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 45' ' ' ASN . . . . . 0.492 ' HB3' ' OE2' ' B' ' 47' ' ' GLU . 11.4 m120 -97.99 126.7 39.43 Favored Pre-proline 0 C--N 1.326 -0.448 0 CA-C-N 115.869 -0.605 . . . . 71.14 110.228 178.841 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 46' ' ' PRO . . . . . . . . . . . . . 29.0 Cg_endo -63.68 -50.13 3.57 Favored 'Trans proline' 0 C--O 1.241 0.648 0 C-N-CA 122.63 2.22 . . . . 54.41 112.539 -178.604 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 47' ' ' GLU . . . . . 0.492 ' OE2' ' HB3' ' B' ' 45' ' ' ASN . 4.1 pm0 -62.22 -32.91 73.64 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 120.951 0.405 . . . . 73.03 110.133 179.228 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -64.93 -45.69 84.77 Favored 'General case' 0 C--O 1.225 -0.193 0 CA-C-N 115.927 -0.578 . . . . 65.22 109.564 174.01 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 49' ' ' LEU . . . . . 0.512 HD13 ' HA3' ' A' ' 53' ' ' GLY . 2.5 tm? -55.35 -49.73 71.51 Favored 'General case' 0 C--O 1.237 0.444 0 CA-C-N 115.847 -0.615 . . . . 73.15 109.856 -178.422 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 43.9 t80 -63.24 -42.76 99.24 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 116.258 -0.428 . . . . 74.53 110.681 176.789 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.29 -53.19 60.18 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-O 120.821 0.343 . . . . 63.22 111.691 179.762 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 52' ' ' ALA . . . . . 0.431 ' HB1' ' HB2' ' A' ' 19' ' ' ALA . . . -62.66 -51.98 65.11 Favored 'General case' 0 C--O 1.239 0.512 0 CA-C-O 121.004 0.43 . . . . 74.31 110.79 -179.66 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -57.52 -41.95 93.71 Favored Glycine 0 C--O 1.226 -0.394 0 CA-C-N 115.668 -0.696 . . . . 73.22 112.207 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -67.15 -50.22 62.04 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 122.854 0.461 . . . . 73.43 111.067 -179.734 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 34.5 p -57.95 -43.48 86.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.684 0.278 . . . . 71.55 110.5 -177.736 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -68.68 -44.33 74.26 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 116.104 -0.498 . . . . 72.32 110.527 176.339 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 57' ' ' CYS . . . . . . . . . . . . . 52.2 t -57.98 -35.91 71.87 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 115.878 -0.601 . . . . 72.4 110.92 -179.259 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 37.7 t80 -57.41 -33.94 68.39 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-O 121.109 0.481 . . . . 61.11 109.921 -178.03 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 7.4 tt -70.71 -44.39 66.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.618 -0.719 . . . . 73.31 109.449 177.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 60' ' ' SER . . . . . 0.4 ' O ' ' HB3' ' B' ' 63' ' ' LYS . 1.8 m -55.69 -46.26 77.65 Favored 'General case' 0 C--O 1.241 0.626 0 CA-C-O 121.432 0.634 . . . . 73.23 110.275 177.475 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -60.93 -49.5 77.19 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 115.436 -0.802 . . . . 44.1 110.045 177.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 62' ' ' MET . . . . . . . . . . . . . 71.3 mmm -64.11 -22.61 67.0 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.895 -0.593 . . . . 71.0 111.005 177.656 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . 0.4 ' HB3' ' O ' ' B' ' 60' ' ' SER . 27.0 ttpp -71.63 -44.69 63.92 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.676 -0.49 . . . . 72.03 109.676 176.475 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 39.9 t80 -63.37 -41.86 98.84 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-O 121.115 0.483 . . . . 73.11 110.044 174.045 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 41.7 t -59.36 -49.05 84.94 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.156 0 CA-C-N 115.671 -0.695 . . . . 75.05 110.645 177.025 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -56.61 -32.79 65.63 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.002 -0.545 . . . . 74.13 110.612 -178.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -67.12 -32.48 80.51 Favored Glycine 0 CA--C 1.518 0.245 0 CA-C-N 115.426 -0.806 . . . . 75.04 112.57 -178.686 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -97.87 -12.58 21.96 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 121.508 0.67 . . . . 64.5 109.637 -179.373 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -95.12 -0.11 53.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.237 -0.892 . . . . 65.21 110.733 177.689 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 2.4 mptp? 63.1 24.25 14.35 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 115.756 -0.656 . . . . 73.12 111.816 175.681 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -118.56 169.57 9.68 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.16 -0.473 . . . . 74.24 110.516 -178.667 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 17.3 p -126.42 141.08 52.02 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.986 -0.552 . . . . 74.12 109.985 176.551 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 95.9 mt -96.35 137.93 21.57 Favored Pre-proline 0 C--N 1.327 -0.403 0 CA-C-N 116.533 -0.303 . . . . 75.15 110.429 -179.1 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 74' ' ' PRO . . . . . 0.475 ' HD2' HD13 ' B' ' 103' ' ' LEU . 31.9 Cg_exo -60.38 131.62 39.42 Favored 'Trans proline' 0 C--N 1.349 0.56 0 C-N-CA 122.644 2.229 . . . . 74.32 112.064 177.359 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -77.21 -15.6 59.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.837 0.351 . . . . 71.53 111.888 -176.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -84.9 5.09 30.38 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-O 121.08 0.467 . . . . 60.22 111.295 -178.141 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 77' ' ' THR . . . . . 0.49 ' HA ' ' HD3' ' B' ' 104' ' ' PRO . 13.5 t -75.19 158.54 32.84 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-O 121.0 0.429 . . . . 73.25 111.469 -176.371 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 7.4 m -149.9 149.16 30.03 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 115.76 -0.655 . . . . 71.23 110.133 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 76.6 t -130.85 122.89 53.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 N-CA-C 109.801 -0.444 . . . . 54.24 109.801 175.01 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 80' ' ' THR . . . . . 0.524 ' HA ' ' HA ' ' A' ' 10' ' ' THR . 23.4 m -106.91 110.23 22.33 Favored 'General case' 0 C--N 1.32 -0.678 0 C-N-CA 120.87 -0.332 . . . . 75.2 110.845 -179.044 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -96.84 118.12 32.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.987 -0.551 . . . . 73.43 110.153 178.27 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 82' ' ' GLU . . . . . 0.483 ' HG2' ' HD3' ' A' ' 6' ' ' LYS . 32.8 tt0 -120.98 107.72 13.0 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.217 -0.66 . . . . 71.23 109.217 179.27 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . 0.411 ' O ' ' HG3' ' A' ' 6' ' ' LYS . 19.8 m -102.37 146.21 10.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.053 -0.521 . . . . 71.44 111.175 -172.68 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 84' ' ' GLY . . . . . . . . . . . . . . . -144.15 166.96 27.01 Favored Glycine 0 N--CA 1.445 -0.761 0 CA-C-N 115.827 -0.624 . . . . 52.45 112.269 -178.549 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -142.46 135.99 27.68 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 N-CA-C 109.047 -0.723 . . . . 73.1 109.047 -179.874 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -148.99 169.86 29.4 Favored Glycine 0 CA--C 1.519 0.332 0 O-C-N 123.867 0.73 . . . . 52.3 111.535 -179.061 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 87' ' ' PRO . . . . . 0.707 ' HD3' ' HG ' ' A' ' 4' ' ' LEU . 15.2 Cg_exo -68.4 132.66 26.17 Favored 'Trans proline' 0 C--O 1.237 0.472 0 C-N-CA 122.674 2.25 . . . . 70.05 111.985 -177.875 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 88' ' ' ASN . . . . . 0.408 ' HB2' ' HB1' ' B' ' 94' ' ' ALA . 53.3 t-20 -93.14 140.59 29.34 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.078 -0.712 . . . . 72.3 109.078 176.493 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -64.12 -15.5 59.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.092 0.472 . . . . 71.21 111.075 -178.653 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -67.31 -19.31 65.46 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 115.644 -0.707 . . . . 74.05 110.36 175.626 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.06 27.52 6.22 Favored Glycine 0 N--CA 1.454 -0.157 0 CA-C-N 115.741 -0.663 . . . . 72.2 112.194 -179.58 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . -142.66 -141.62 3.9 Favored Glycine 0 C--N 1.331 0.284 0 N-CA-C 111.404 -0.678 . . . . 70.13 111.404 178.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 93' ' ' PHE . . . . . 0.412 ' HE1' ' CZ ' ' A' ' 64' ' ' PHE . 17.7 m-85 -111.39 159.26 18.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.902 0.382 . . . . 73.12 110.595 177.895 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 94' ' ' ALA . . . . . 0.408 ' HB1' ' HB2' ' B' ' 88' ' ' ASN . . . -140.68 135.56 31.76 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.721 -0.672 . . . . 62.21 109.458 177.494 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -97.2 148.92 22.59 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.125 0.488 . . . . 74.21 110.918 -177.707 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 96' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -134.8 110.48 9.22 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.106 -0.952 . . . . 73.53 109.054 179.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 97' ' ' VAL . . . . . 0.713 ' HB ' HG23 ' B' ' 134' ' ' VAL . 58.5 t -111.29 110.8 33.52 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.937 0 CA-C-O 120.716 0.293 . . . . 65.34 110.694 -178.783 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -96.68 117.25 30.6 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.418 -0.355 . . . . 74.42 110.152 178.384 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 81.5 mt -107.56 110.79 22.78 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.786 -0.45 . . . . 75.14 109.786 178.051 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 100' ' ' ARG . . . . . 0.474 ' HA ' ' O ' ' B' ' 137' ' ' VAL . 90.9 mtt180 -99.4 119.77 38.51 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.781 -0.452 . . . . 70.24 109.781 -177.701 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 101' ' ' VAL . . . . . . . . . . . . . 93.7 t -102.23 109.28 25.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 116.028 -0.533 . . . . 60.12 111.073 -175.058 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -108.89 101.4 10.5 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.958 -0.386 . . . . 53.32 109.958 175.535 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 103' ' ' LEU . . . . . 0.705 HD23 HD21 ' B' ' 106' ' ' LEU . 25.6 tp -112.79 117.23 46.8 Favored Pre-proline 0 C--N 1.326 -0.432 0 N-CA-C 108.862 -0.792 . . . . 72.24 108.862 177.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 104' ' ' PRO . . . . . 0.521 ' HD2' HD12 ' B' ' 103' ' ' LEU . 33.8 Cg_endo -63.78 141.41 78.51 Favored 'Trans proline' 0 C--O 1.237 0.455 0 C-N-CA 122.799 2.333 . . . . 74.24 112.685 -174.394 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 105' ' ' GLY . . . . . . . . . . . . . . . 69.58 8.47 60.06 Favored Glycine 0 N--CA 1.45 -0.427 0 CA-C-N 114.757 -1.11 . . . . 72.34 113.118 179.561 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 106' ' ' LEU . . . . . 0.705 HD21 HD23 ' B' ' 103' ' ' LEU . 25.5 tp -102.65 136.42 42.51 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-O 121.304 0.573 . . . . 65.44 111.129 -178.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 41.6 m-20 -75.29 142.81 43.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.216 -0.902 . . . . 63.12 110.578 176.172 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -61.1 -40.56 94.2 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.721 0.296 . . . . 74.55 110.942 177.671 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -56.57 -48.74 76.7 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.19 -0.459 . . . . 64.51 110.641 -179.739 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 110' ' ' ALA . . . . . 0.52 ' O ' ' HG ' ' B' ' 114' ' ' LEU . . . -70.97 -38.62 72.78 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.924 -0.58 . . . . 72.03 109.976 178.102 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 111' ' ' ALA . . . . . 0.429 ' O ' HG21 ' B' ' 115' ' ' VAL . . . -55.03 -39.67 69.39 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.58 -0.736 . . . . 64.14 110.981 -178.319 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 112' ' ' LYS . . . . . . . . . . . . . 33.9 mmtp -51.94 -47.53 64.7 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 116.103 -0.499 . . . . 74.45 111.077 179.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 113' ' ' THR . . . . . . . . . . . . . 1.3 t -82.09 -34.11 29.49 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 116.376 -0.374 . . . . 72.03 110.94 -175.262 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 114' ' ' LEU . . . . . 0.52 ' HG ' ' O ' ' B' ' 110' ' ' ALA . 38.0 mt -62.99 -44.51 95.83 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-O 121.19 0.519 . . . . 72.05 109.994 179.198 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 115' ' ' VAL . . . . . 0.565 HG23 HG13 ' B' ' 138' ' ' VAL . 73.6 t -62.32 -35.1 67.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 115.444 -0.798 . . . . 63.55 110.293 177.427 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -64.01 -61.25 2.39 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 116.155 -0.475 . . . . 75.43 110.897 179.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 117' ' ' ARG . . . . . . . . . . . . . 7.5 ptm85 -60.18 -40.35 89.7 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.29 -0.413 . . . . 70.2 111.007 -177.02 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -59.15 -46.45 88.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.243 0.545 . . . . 61.11 110.285 175.726 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 47.3 m80 -80.16 4.12 18.42 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.911 -0.586 . . . . 74.31 111.592 179.517 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 16.3 t-80 -101.86 -20.24 14.97 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.544 -0.298 . . . . 73.32 110.724 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 35.2 m -106.44 -29.92 2.66 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.417 0 N-CA-C 112.383 0.512 . . . . 73.14 112.383 -176.475 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 122' ' ' CYS . . . . . 0.464 ' HA ' ' HD3' ' B' ' 123' ' ' PRO . 75.6 m -67.45 129.93 93.49 Favored Pre-proline 0 CA--C 1.539 0.553 0 N-CA-C 111.665 0.246 . . . . 74.53 111.665 -175.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 123' ' ' PRO . . . . . 0.464 ' HD3' ' HA ' ' B' ' 122' ' ' CYS . 36.7 Cg_exo -62.11 -26.06 77.8 Favored 'Trans proline' 0 C--N 1.356 0.944 0 C-N-CA 123.569 2.846 . . . . 65.25 113.541 -176.659 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 124' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 . . . . . 0 N--CA 1.469 0.513 0 CA-C-O 120.656 0.265 . . . . 65.35 110.312 176.498 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 128' ' ' THR . . . . . 0.409 ' HG1' HG21 ' B' ' 134' ' ' VAL . 0.9 OUTLIER . . . . . 0 C--O 1.225 -0.213 0 N-CA-C 109.344 -0.614 . . . . 64.4 109.344 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 129' ' ' ARG . . . . . 0.419 ' HG3' ' N ' ' B' ' 130' ' ' ASN . 16.9 ptm180 -99.87 -47.26 5.1 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-O 121.607 0.718 . . . . 75.21 109.21 -178.011 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 130' ' ' ASN . . . . . 0.419 ' N ' ' HG3' ' B' ' 129' ' ' ARG . 85.3 m-20 -79.54 -26.59 41.4 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 114.788 -1.096 . . . . 74.14 111.761 -175.433 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 131' ' ' ASN . . . . . 0.655 HD21 HG12 ' B' ' 132' ' ' VAL . 7.5 t30 -100.57 -37.28 8.85 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 116.129 -0.487 . . . . 75.43 111.695 -173.377 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 132' ' ' VAL . . . . . 0.655 HG12 HD21 ' B' ' 131' ' ' ASN . 15.5 m -131.4 177.85 6.4 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.656 0 CA-C-O 120.549 0.214 . . . . 62.31 111.061 -177.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 133' ' ' ALA . . . . . . . . . . . . . . . -92.0 99.9 12.65 Favored 'General case' 0 C--O 1.24 0.589 0 CA-C-O 121.488 0.661 . . . . 72.23 111.877 -173.464 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 134' ' ' VAL . . . . . 0.713 HG23 ' HB ' ' B' ' 97' ' ' VAL . 83.1 t -124.25 108.48 20.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.063 -0.971 . . . . 64.53 110.465 176.58 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 2.7 ttt85 -77.77 108.57 11.09 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.356 -0.838 . . . . 74.32 110.391 178.165 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 78.9 mt -81.76 119.41 23.84 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.033 -0.53 . . . . 72.41 110.3 176.195 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 137' ' ' VAL . . . . . 0.474 ' O ' ' HA ' ' B' ' 100' ' ' ARG . 0.1 OUTLIER -127.71 121.88 57.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.64 -0.709 . . . . 74.23 109.656 -178.95 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 138' ' ' VAL . . . . . 0.565 HG13 HG23 ' B' ' 115' ' ' VAL . 2.4 m -97.01 138.21 22.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 N-CA-C 109.383 -0.599 . . . . 70.52 109.383 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 139' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.162 0 CA-C-O 118.599 -0.715 . . . . 71.35 110.878 -175.566 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.6 ptm . . . . . 0 N--CA 1.484 1.231 0 CA-C-O 120.874 0.369 . . . . 71.43 110.071 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 47.5 t30 -98.62 86.72 3.63 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.045 -0.525 . . . . 75.52 109.871 178.535 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.491 HG23 ' HB2' ' A' ' 6' ' ' LYS . 28.8 mm -64.32 116.4 3.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.978 -0.556 . . . . 51.02 110.927 177.527 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.675 ' HG ' ' HD3' ' B' ' 87' ' ' PRO . 88.5 mt -75.74 -43.62 45.85 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.453 -0.794 . . . . 74.21 110.069 178.866 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 46.9 t80 -138.85 130.7 27.78 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.979 -0.555 . . . . 73.42 110.063 -176.491 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.491 ' HB2' HG23 ' A' ' 3' ' ' ILE . 28.4 ttmt -143.78 131.22 21.01 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.137 0.494 . . . . 62.42 111.064 176.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 5.8 t -121.36 166.3 14.27 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 114.995 -1.002 . . . . 73.02 109.27 175.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -136.96 147.68 46.48 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.707 0.289 . . . . 64.34 110.78 -175.006 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -139.85 124.06 17.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.247 -0.433 . . . . 73.03 110.585 179.488 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 7.8 t -96.79 130.82 43.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.321 -0.4 . . . . 73.43 110.029 179.185 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 10.9 p -123.14 138.05 54.75 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.238 0.542 . . . . 74.42 111.626 -176.669 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.411 HG22 ' N ' ' A' ' 13' ' ' GLY . 6.7 m -109.59 167.28 10.25 Favored 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 123.317 0.647 . . . . 72.12 109.911 177.288 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.411 ' N ' HG22 ' A' ' 12' ' ' THR . . . -78.32 5.73 54.21 Favored Glycine 0 CA--C 1.526 0.731 0 C-N-CA 120.923 -0.656 . . . . 62.44 113.553 176.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 30.05 -129.6 0.13 Allowed Glycine 0 C--N 1.344 0.98 0 O-C-N 123.646 0.262 . . . . 62.02 113.364 -174.646 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 31.8 mmt180 -88.8 -38.23 14.8 Favored 'General case' 0 C--O 1.236 0.368 0 N-CA-C 107.88 -1.156 . . . . 73.04 107.88 164.769 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.514 ' HB3' ' HA ' ' A' ' 31' ' ' SER . 24.9 t0 -125.42 -42.66 1.95 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 114.991 -1.004 . . . . 74.22 109.608 173.544 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.44 ' O ' ' HG3' ' A' ' 29' ' ' LYS . . . -165.97 163.65 36.91 Favored Glycine 0 C--N 1.342 0.892 0 C-N-CA 120.62 -0.8 . . . . 73.12 111.352 169.32 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.612 ' HA ' ' HA ' ' A' ' 29' ' ' LYS . 51.9 ttt180 -149.49 148.18 29.1 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.379 -0.6 . . . . 73.24 109.379 177.585 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -142.1 124.0 15.27 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.871 0.367 . . . . 71.12 110.267 -175.756 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 25.6 m -130.68 111.31 12.07 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.945 -0.571 . . . . 65.23 110.026 179.512 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.448 ' HB2' ' HB3' ' A' ' 26' ' ' LEU . 11.4 t -74.05 114.45 12.39 Favored 'General case' 0 C--O 1.246 0.887 0 N-CA-C 107.709 -1.219 . . . . 62.3 107.709 177.853 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.424 ' C ' ' H ' ' A' ' 24' ' ' GLN . 9.7 t60 -53.37 -33.99 55.82 Favored 'General case' 0 N--CA 1.474 0.773 0 O-C-N 126.155 2.159 . . . . 71.44 112.868 -164.789 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 26.6 p-10 -80.48 18.67 0.88 Allowed 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 121.512 0.672 . . . . 73.43 110.07 -178.14 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.424 ' H ' ' C ' ' A' ' 22' ' ' HIS . 29.9 mm-40 70.65 23.89 4.53 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 114.734 -1.121 . . . . 72.53 110.645 173.186 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.425 ' HA ' ' HD3' ' A' ' 25' ' ' LYS . 69.6 mmtt -84.7 -26.78 27.48 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.673 -0.694 . . . . 73.44 110.447 175.545 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.455 HD12 HG22 ' A' ' 28' ' ' VAL . 58.3 tp -144.54 145.63 31.93 Favored 'General case' 0 C--O 1.224 -0.253 0 C-N-CA 119.37 -0.932 . . . . 74.42 111.882 -178.685 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -160.46 92.77 0.99 Allowed 'General case' 0 N--CA 1.466 0.328 0 O-C-N 123.806 0.691 . . . . 74.5 109.859 173.031 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.56 ' O ' ' HG3' ' A' ' 18' ' ' ARG . 4.1 m -148.78 177.04 0.92 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.535 0 CA-C-O 121.117 0.484 . . . . 62.12 111.626 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.612 ' HA ' ' HA ' ' A' ' 18' ' ' ARG . 22.4 ttpt -125.43 141.62 51.96 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.086 -0.961 . . . . 62.42 109.669 178.242 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.771 ' HA ' ' H ' ' A' ' 44' ' ' THR . 0.0 OUTLIER -122.87 154.64 38.02 Favored 'General case' 0 C--O 1.253 1.263 0 CA-C-O 121.283 0.563 . . . . 73.21 110.607 176.253 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.514 ' HA ' ' HB3' ' A' ' 16' ' ' ASP . 50.0 m -163.05 126.69 2.85 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 114.779 -1.1 . . . . 75.34 109.85 -173.738 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.41 132.72 95.23 Favored Pre-proline 0 C--O 1.237 0.419 0 N-CA-C 109.774 -0.454 . . . . 52.21 109.774 175.134 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_endo -75.54 34.55 0.41 Allowed 'Trans proline' 0 CA--C 1.533 0.444 0 C-N-CA 123.182 2.588 . . . . 73.33 112.467 -176.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.475 ' O ' ' N ' ' A' ' 36' ' ' LEU . 5.7 ttt180 52.35 -92.17 0.03 OUTLIER 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 123.308 0.643 . . . . 64.52 111.492 -174.259 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 33.4 mm-40 56.34 -73.26 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.604 0 O-C-N 123.728 0.643 . . . . 75.14 112.348 178.513 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.475 ' N ' ' O ' ' A' ' 34' ' ' ARG . 1.2 mm? -85.32 -15.62 42.72 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.867 0.365 . . . . 73.53 110.022 -176.012 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 128.26 43.84 0.22 Allowed Glycine 0 C--N 1.333 0.376 0 CA-C-N 115.788 -0.642 . . . . 72.22 112.438 179.58 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -94.6 -131.27 6.24 Favored Glycine 0 CA--C 1.522 0.516 0 C-N-CA 121.329 -0.463 . . . . 73.44 112.359 -179.176 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -99.04 -49.6 4.46 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-O 120.976 0.417 . . . . 63.22 110.771 -178.444 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 82.98 88.85 0.72 Allowed Glycine 0 N--CA 1.451 -0.335 0 CA-C-N 115.831 -0.622 . . . . 45.53 112.707 177.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -156.81 170.88 21.46 Favored 'General case' 0 C--O 1.234 0.277 0 N-CA-C 110.304 -0.258 . . . . 51.12 110.304 179.007 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -83.09 72.95 10.1 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-O 121.872 0.844 . . . . 71.23 110.853 179.601 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -132.57 -170.4 12.5 Favored Glycine 0 C--N 1.318 -0.437 0 CA-C-N 114.856 -1.065 . . . . 55.55 111.081 175.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.771 ' H ' ' HA ' ' A' ' 30' ' ' LEU . 38.8 m -93.05 140.71 29.2 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 110.056 -0.35 . . . . 74.01 110.056 177.791 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.634 ' HB2' ' HB3' ' A' ' 48' ' ' GLN . 1.2 m-20 -68.25 144.51 96.78 Favored Pre-proline 0 C--N 1.326 -0.428 0 CA-C-N 116.213 -0.449 . . . . 72.33 109.974 177.463 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_exo -60.63 -60.53 0.25 Allowed 'Trans proline' 0 CA--C 1.535 0.572 0 C-N-CA 122.964 2.442 . . . . 63.04 112.838 -177.374 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -65.97 -30.65 71.24 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 120.988 0.423 . . . . 62.13 110.499 -177.121 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.634 ' HB3' ' HB2' ' A' ' 45' ' ' ASN . 27.7 tt0 -65.63 -38.63 89.94 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-N 115.777 -0.647 . . . . 74.41 110.352 175.25 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -64.99 -51.06 63.76 Favored 'General case' 0 C--O 1.234 0.285 0 N-CA-C 109.144 -0.687 . . . . 71.11 109.144 178.277 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 36.4 t80 -58.21 -43.26 87.57 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-N 116.039 -0.528 . . . . 65.21 110.581 177.656 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -53.09 -53.15 54.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.114 -0.494 . . . . 52.03 110.888 177.199 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.64 -43.91 97.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.751 -0.659 . . . . 73.32 111.102 179.635 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -65.05 -42.94 96.42 Favored Glycine 0 C--N 1.332 0.309 0 CA-C-N 116.129 -0.487 . . . . 45.35 112.642 -178.448 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.465 ' CE2' HD12 ' A' ' 99' ' ' LEU . 1.9 t80 -69.32 -46.93 65.93 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.962 -0.384 . . . . 74.55 109.962 -179.726 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.5 t -57.19 -47.17 81.92 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.413 -0.588 . . . . 73.1 109.413 179.547 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.549 ' HB2' ' HB2' ' B' ' 19' ' ' ALA . . . -64.75 -40.22 94.94 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-N 115.846 -0.616 . . . . 72.41 110.946 177.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 44.5 t -57.04 -37.3 71.58 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 116.073 -0.512 . . . . 74.4 110.115 177.752 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -60.84 -35.1 75.69 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 115.748 -0.66 . . . . 74.24 109.977 179.677 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.429 ' O ' ' HD3' ' A' ' 63' ' ' LYS . 4.4 mm? -75.29 -0.44 19.64 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 115.974 -0.557 . . . . 74.12 111.903 -179.752 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 21.7 t -114.16 -46.08 3.02 Favored 'General case' 0 C--O 1.243 0.72 0 N-CA-C 109.282 -0.636 . . . . 74.4 109.282 175.419 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.439 ' O ' HG21 ' A' ' 65' ' ' VAL . . . -53.24 -45.96 68.95 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 115.505 -0.771 . . . . 64.15 110.204 175.393 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' MET . . . . . 0.507 ' SD ' ' HB1' ' A' ' 118' ' ' ALA . 80.8 mmm -61.32 -32.27 72.13 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.312 -0.404 . . . . 61.32 111.347 178.628 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.429 ' HD3' ' O ' ' A' ' 59' ' ' LEU . 1.4 mptm? -64.67 -51.78 60.75 Favored 'General case' 0 C--O 1.234 0.25 0 N-CA-C 109.82 -0.437 . . . . 62.32 109.82 176.687 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 41.2 t80 -62.44 -41.89 99.07 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 116.293 -0.412 . . . . 70.35 110.384 179.357 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.439 HG21 ' O ' ' A' ' 61' ' ' ALA . 55.8 t -58.39 -47.43 87.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 51.41 110.422 177.222 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -61.14 -29.27 69.68 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.094 0.474 . . . . 55.45 110.129 178.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -70.93 -34.43 65.4 Favored Glycine 0 N--CA 1.45 -0.373 0 CA-C-N 115.356 -0.838 . . . . 65.01 112.33 -179.162 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -91.56 -20.54 21.57 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 121.408 0.623 . . . . 73.33 109.629 -178.026 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 10.2 m-80 -90.72 1.42 56.87 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 114.939 -1.028 . . . . 73.35 110.275 178.32 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.0 mptp? 53.63 40.62 31.68 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 115.596 -0.729 . . . . 70.5 110.866 175.749 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -129.81 169.12 15.56 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 114.878 -1.055 . . . . 65.11 110.367 178.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 14.7 p -126.13 134.09 51.43 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.202 -0.454 . . . . 71.13 110.225 177.024 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -109.48 142.0 24.77 Favored Pre-proline 0 N--CA 1.465 0.305 0 CA-C-N 116.714 -0.221 . . . . 64.52 110.971 178.225 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -54.59 139.21 75.97 Favored 'Trans proline' 0 C--N 1.351 0.673 0 C-N-CA 123.194 2.596 . . . . 75.32 112.876 -179.548 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -77.35 -6.16 52.27 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 121.221 0.534 . . . . 74.43 111.167 179.386 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -88.51 4.14 47.75 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.626 -0.715 . . . . 72.44 111.22 -177.352 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 10.3 t -76.53 154.24 34.74 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.841 -0.618 . . . . 74.0 111.576 -176.676 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 53.6 m -149.09 150.12 32.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.635 -0.711 . . . . 72.13 110.145 -179.573 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 72.8 t -130.1 130.96 66.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 N-CA-C 108.943 -0.762 . . . . 73.54 108.943 177.743 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' THR . . . . . 0.519 ' HA ' ' HA ' ' B' ' 10' ' ' THR . 11.8 m -114.85 115.77 27.5 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.754 0.312 . . . . 61.0 111.023 -178.122 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -93.34 105.73 17.77 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 116.03 -0.532 . . . . 75.0 110.626 177.654 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.504 ' HG2' ' HD3' ' B' ' 6' ' ' LYS . 36.9 tt0 -101.86 108.7 20.26 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.485 -0.561 . . . . 75.53 109.485 178.271 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.442 ' O ' ' HG3' ' B' ' 6' ' ' LYS . 19.2 m -112.4 146.75 16.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.97 0.414 . . . . 74.25 111.335 -173.601 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . 0.405 ' HA2' ' HA ' ' B' ' 6' ' ' LYS . . . -143.41 167.15 26.62 Favored Glycine 0 N--CA 1.445 -0.72 0 CA-C-N 115.813 -0.631 . . . . 64.22 112.088 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.508 HD11 ' CD2' ' A' ' 93' ' ' PHE . 0.0 OUTLIER -138.2 132.85 43.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 N-CA-C 109.111 -0.7 . . . . 71.32 109.111 -177.952 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -141.68 169.98 24.98 Favored Glycine 0 CA--C 1.516 0.123 0 O-C-N 124.079 0.862 . . . . 64.2 110.955 179.602 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . 0.694 ' HD3' ' HG ' ' B' ' 4' ' ' LEU . 60.0 Cg_endo -80.82 134.31 9.56 Favored 'Trans proline' 0 N--CA 1.455 -0.747 0 C-N-CA 122.174 1.916 . . . . 75.13 112.169 -177.457 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . 0.463 ' HB2' ' HB3' ' A' ' 94' ' ' ALA . 51.4 t30 -86.08 150.61 24.32 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.586 -0.734 . . . . 63.43 110.014 -179.884 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -62.31 -19.87 63.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.113 -0.494 . . . . 74.31 111.548 -177.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -67.28 -23.2 65.65 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 116.174 -0.467 . . . . 62.35 111.044 177.251 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 103.99 35.06 3.54 Favored Glycine 0 N--CA 1.455 -0.095 0 N-CA-C 111.272 -0.731 . . . . 52.42 111.272 -175.335 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -144.27 -144.35 4.18 Favored Glycine 0 N--CA 1.45 -0.397 0 N-CA-C 111.17 -0.772 . . . . 74.12 111.17 -179.756 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.508 ' CD2' HD11 ' A' ' 85' ' ' ILE . 42.1 m-85 -109.79 160.99 15.87 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 117.116 0.458 . . . . 72.25 110.772 179.465 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . 0.463 ' HB3' ' HB2' ' A' ' 88' ' ' ASN . . . -145.06 138.01 26.4 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.264 -0.88 . . . . 73.43 108.929 177.539 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -103.71 140.95 36.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.14 0.495 . . . . 75.45 111.406 -176.609 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -130.26 126.09 36.43 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 114.806 -1.088 . . . . 62.1 108.763 -179.484 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.694 HG13 HG23 ' A' ' 134' ' ' VAL . 0.7 OUTLIER -132.54 119.29 38.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-O 121.621 0.724 . . . . 41.42 111.499 -178.883 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.433 ' CD ' HH21 ' A' ' 135' ' ' ARG . 29.9 tt0 -108.89 130.46 55.43 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.491 -0.777 . . . . 52.25 110.128 -179.536 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.465 HD12 ' CE2' ' A' ' 54' ' ' TYR . 94.9 mt -114.19 117.47 31.29 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.421 -0.354 . . . . 73.33 110.794 -176.125 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . 0.535 ' HA ' ' O ' ' A' ' 137' ' ' VAL . 35.7 ttt180 -99.53 117.53 34.13 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.303 -0.628 . . . . 73.43 109.303 177.216 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 46.8 t -105.71 98.37 6.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 N-CA-C 110.284 -0.265 . . . . 72.23 110.284 -174.623 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -92.0 101.52 14.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.902 0.382 . . . . 73.1 110.798 -178.104 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 6.1 mt -111.64 117.5 48.7 Favored Pre-proline 0 C--N 1.326 -0.428 0 CA-C-N 115.928 -0.578 . . . . 73.31 109.662 176.226 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 68.0 Cg_endo -73.84 150.04 43.54 Favored 'Trans proline' 0 N--CA 1.462 -0.36 0 C-N-CA 122.764 2.309 . . . . 73.52 112.702 -177.159 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 68.97 15.16 69.05 Favored Glycine 0 CA--C 1.522 0.485 0 CA-C-N 115.391 -0.822 . . . . 54.45 112.955 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.47 HD23 ' HA ' ' A' ' 111' ' ' ALA . 40.1 tp -116.47 143.15 45.94 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-O 120.823 0.344 . . . . 65.03 111.222 -174.074 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -77.57 163.48 26.23 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 116.057 -0.519 . . . . 72.42 110.448 176.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . 0.503 ' O ' ' HG3' ' A' ' 112' ' ' LYS . . . -68.29 -44.75 74.81 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.65 -0.705 . . . . 74.35 109.834 169.812 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -59.87 -48.13 82.95 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 115.562 -0.744 . . . . 64.13 110.939 -177.203 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . 0.548 ' O ' HG22 ' A' ' 113' ' ' THR . . . -70.74 -42.57 70.32 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.897 -0.592 . . . . 73.25 110.114 178.702 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . 0.47 ' HA ' HD23 ' A' ' 106' ' ' LEU . . . -54.46 -39.87 67.88 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.157 -0.474 . . . . 54.13 111.613 179.761 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . 0.503 ' HG3' ' O ' ' A' ' 108' ' ' ALA . 68.5 mttm -53.33 -42.78 67.09 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 116.699 -0.228 . . . . 74.23 111.345 -179.849 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' THR . . . . . 0.548 HG22 ' O ' ' A' ' 110' ' ' ALA . 2.8 t -81.13 -38.63 26.89 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 120.923 0.392 . . . . 74.22 110.659 -177.6 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.4 ' HG ' ' O ' ' A' ' 110' ' ' ALA . 49.0 mt -64.58 -43.74 92.88 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.301 -0.409 . . . . 61.01 110.756 -177.904 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 92.1 t -66.84 -32.64 58.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.123 -0.49 . . . . 72.22 110.225 177.415 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -62.33 -61.5 2.41 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 116.395 -0.366 . . . . 65.51 110.11 178.233 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 14.6 ptm180 -59.14 -42.02 89.69 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-N 115.748 -0.66 . . . . 65.24 110.983 -178.034 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . 0.507 ' HB1' ' SD ' ' A' ' 62' ' ' MET . . . -60.4 -46.64 89.27 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 121.307 0.575 . . . . 63.41 110.425 177.49 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . 0.47 ' HE1' ' HB3' ' A' ' 129' ' ' ARG . 48.4 t-80 -85.13 9.87 13.74 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 115.706 -0.679 . . . . 74.13 110.414 -179.034 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 4.9 t60 -108.63 -36.12 6.26 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 116.119 -0.491 . . . . 75.14 110.439 178.28 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 33.3 m -82.2 -34.84 12.61 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.397 0 N-CA-C 112.23 0.455 . . . . 74.54 112.23 -176.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' CYS . . . . . 0.542 ' HB2' ' HG ' ' A' ' 125' ' ' SER . 76.6 m -69.13 131.27 90.7 Favored Pre-proline 0 CA--C 1.536 0.416 0 CA-C-N 116.799 -0.182 . . . . 72.12 111.055 -176.855 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 13.0 Cg_endo -55.19 -51.33 10.4 Favored 'Trans proline' 0 C--N 1.355 0.901 0 C-N-CA 123.065 2.51 . . . . 75.04 112.37 -177.469 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 22.7 m-85 -54.03 -43.53 70.23 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 121.181 0.515 . . . . 65.44 109.722 178.008 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' SER . . . . . 0.542 ' HG ' ' HB2' ' A' ' 122' ' ' CYS . 70.3 m -59.24 -40.76 86.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.213 -0.903 . . . . 65.33 112.183 -174.398 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 93.6 m-20 -72.25 -48.65 41.06 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.299 0.571 . . . . 73.42 110.094 179.266 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -70.16 -1.74 11.03 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.689 -0.687 . . . . 54.1 111.927 -179.154 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' THR . . . . . 0.623 HG21 HG21 ' A' ' 134' ' ' VAL . 2.6 t -112.99 -21.01 11.32 Favored 'General case' 0 N--CA 1.452 -0.33 0 N-CA-C 109.978 -0.378 . . . . 73.21 109.978 -178.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . 0.47 ' HB3' ' HE1' ' A' ' 119' ' ' HIS . 17.7 ptt180 -101.64 -47.7 4.55 Favored 'General case' 0 CA--C 1.517 -0.315 0 N-CA-C 109.183 -0.673 . . . . 72.04 109.183 -176.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 15.8 m120 -78.61 -36.57 43.99 Favored 'General case' 0 N--CA 1.446 -0.669 0 CA-C-N 115.284 -0.871 . . . . 71.52 110.192 -177.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -96.84 -22.91 16.64 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 115.878 -0.601 . . . . 72.12 111.718 -175.733 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . 0.61 HG11 ' H ' ' A' ' 133' ' ' ALA . 11.5 t -132.77 175.2 11.93 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.646 0 N-CA-C 109.938 -0.393 . . . . 70.22 109.938 -174.057 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . 0.61 ' H ' HG11 ' A' ' 132' ' ' VAL . . . -99.17 95.85 7.37 Favored 'General case' 0 C--O 1.243 0.756 0 CA-C-O 121.572 0.701 . . . . 45.42 112.202 -175.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . 0.694 HG23 HG13 ' A' ' 97' ' ' VAL . 95.1 t -116.35 129.35 72.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 114.888 -1.051 . . . . 75.02 111.025 176.117 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . 0.433 HH21 ' CD ' ' A' ' 98' ' ' GLU . 1.9 tmm_? -105.55 123.38 47.81 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 108.668 -0.864 . . . . 74.34 108.668 175.591 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . 0.409 HD21 ' HB2' ' A' ' 99' ' ' LEU . 39.0 mt -94.57 133.82 37.79 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.265 0.555 . . . . 50.04 111.211 -177.282 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . 0.535 ' O ' ' HA ' ' A' ' 100' ' ' ARG . 0.1 OUTLIER -133.46 115.23 22.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.326 -0.852 . . . . 74.42 109.242 175.291 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 2.5 m -88.38 138.71 18.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 N-CA-C 109.834 -0.432 . . . . 71.15 109.834 -177.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.321 -0.673 0 CA-C-N 116.264 -0.425 . . . . 73.13 110.885 -176.124 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 15.9 ptt? . . . . . 0 C--O 1.234 0.262 0 CA-C-O 120.927 0.394 . . . . 72.42 111.0 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 41.8 t30 -72.94 76.0 1.18 Allowed 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 115.889 -0.596 . . . . 61.35 110.604 176.145 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . 0.505 HG23 ' HB2' ' B' ' 6' ' ' LYS . 33.9 mm -73.42 132.7 33.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.901 -0.59 . . . . 72.42 111.82 175.753 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . 0.694 ' HG ' ' HD3' ' A' ' 87' ' ' PRO . 87.6 mt -91.39 -44.27 9.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.465 -0.789 . . . . 75.25 110.039 174.768 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 5' ' ' TYR . . . . . . . . . . . . . 35.0 t80 -136.05 129.52 32.08 Favored 'General case' 0 C--O 1.224 -0.282 0 CA-C-N 116.026 -0.534 . . . . 75.45 110.24 -178.662 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . 0.505 ' HB2' HG23 ' B' ' 3' ' ' ILE . 30.4 ttmt -137.52 141.23 41.45 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.087 0.47 . . . . 65.01 111.148 177.676 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 10.1 t -137.64 170.55 15.88 Favored 'General case' 0 C--O 1.237 0.439 0 CA-C-N 115.453 -0.794 . . . . 73.02 109.279 177.441 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -133.46 145.5 50.29 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.155 0.502 . . . . 64.22 111.178 -176.054 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . 0.423 ' HA ' ' H ' ' B' ' 22' ' ' HIS . . . -141.37 118.29 11.16 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.771 -0.65 . . . . 71.2 109.481 176.225 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 10' ' ' THR . . . . . 0.519 ' HA ' ' HA ' ' A' ' 80' ' ' THR . 12.5 t -101.13 156.21 17.55 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.32 -0.4 . . . . 64.31 110.083 -175.42 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 58.9 p -137.74 113.43 9.63 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.774 0.321 . . . . 74.14 110.819 -177.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 4.9 m -102.84 160.54 14.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.043 -0.526 . . . . 73.24 110.607 -177.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -77.64 72.8 2.15 Favored Glycine 0 CA--C 1.521 0.436 0 C-N-CA 120.976 -0.631 . . . . 71.12 111.917 173.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -57.52 -92.74 0.01 OUTLIER Glycine 0 C--N 1.34 0.771 0 C-N-CA 121.74 -0.267 . . . . 73.4 112.642 179.595 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 12.3 tpt180 -88.62 -55.56 3.66 Favored 'General case' 0 N--CA 1.462 0.15 0 N-CA-C 108.28 -1.007 . . . . 65.14 108.28 172.635 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 16' ' ' ASP . . . . . 0.401 ' O ' ' NZ ' ' A' ' 63' ' ' LYS . 24.1 t0 -126.2 -41.95 1.88 Allowed 'General case' 0 C--O 1.236 0.349 0 CA-C-N 114.639 -1.164 . . . . 65.33 108.23 167.383 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -150.79 151.38 23.39 Favored Glycine 0 N--CA 1.446 -0.648 0 CA-C-N 115.623 -0.717 . . . . 74.22 111.769 171.642 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 18' ' ' ARG . . . . . 0.495 ' HA ' ' HA ' ' B' ' 29' ' ' LYS . 16.3 ttp180 -134.5 145.72 49.05 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 108.71 -0.848 . . . . 74.4 108.71 175.029 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 19' ' ' ALA . . . . . 0.549 ' HB2' ' HB2' ' A' ' 56' ' ' ALA . . . -127.65 123.62 36.01 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 108.808 -0.812 . . . . 64.31 108.808 177.367 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 23.8 m -137.52 113.01 9.4 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 116.274 -0.421 . . . . 75.11 110.649 -172.706 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 21' ' ' SER . . . . . 0.511 ' HB3' ' N ' ' B' ' 26' ' ' LEU . 43.7 t -69.82 111.38 5.52 Favored 'General case' 0 C--O 1.246 0.9 0 N-CA-C 107.458 -1.312 . . . . 74.21 107.458 175.007 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 22' ' ' HIS . . . . . 0.434 ' C ' ' H ' ' B' ' 24' ' ' GLN . 10.4 t-80 -48.34 -37.45 16.66 Favored 'General case' 0 N--CA 1.469 0.515 0 O-C-N 126.106 2.129 . . . . 73.12 113.178 -165.204 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -80.66 26.08 0.41 Allowed 'General case' 0 C--N 1.317 -0.833 0 CA-C-O 120.94 0.4 . . . . 63.54 110.895 -175.456 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 24' ' ' GLN . . . . . 0.434 ' H ' ' C ' ' B' ' 22' ' ' HIS . 28.0 mm-40 68.4 15.72 9.23 Favored 'General case' 0 CA--C 1.518 -0.279 0 CA-C-N 115.455 -0.793 . . . . 71.43 110.512 176.59 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -74.92 -34.35 62.11 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 115.67 -0.695 . . . . 41.25 109.837 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . 0.511 ' N ' ' HB3' ' B' ' 21' ' ' SER . 50.7 tp -148.68 147.67 29.17 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 120.312 -0.555 . . . . 73.34 111.784 -176.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -156.66 101.19 1.98 Allowed 'General case' 0 N--CA 1.464 0.27 0 O-C-N 123.803 0.69 . . . . 53.33 109.589 174.25 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 28' ' ' VAL . . . . . 0.493 ' O ' ' HG3' ' B' ' 18' ' ' ARG . 3.3 m -139.29 177.94 4.26 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.448 0 CA-C-N 116.011 -0.54 . . . . 74.12 110.767 179.501 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . 0.495 ' HA ' ' HA ' ' B' ' 18' ' ' ARG . 16.8 ttmt -140.02 144.47 36.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.006 0.432 . . . . 74.12 111.221 -174.733 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . 0.581 ' N ' HD13 ' B' ' 30' ' ' LEU . 0.0 OUTLIER -134.08 175.25 9.65 Favored 'General case' 0 C--O 1.249 1.038 0 CA-C-N 115.485 -0.78 . . . . 72.32 110.701 176.107 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 41.0 p -170.91 144.39 2.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.714 -0.676 . . . . 62.35 110.433 -176.553 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -74.65 114.09 30.73 Favored Pre-proline 0 C--O 1.24 0.585 0 O-C-N 123.46 0.475 . . . . 75.13 111.488 -179.486 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 33' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -59.83 144.26 99.48 Favored 'Trans proline' 0 C--N 1.354 0.829 0 C-N-CA 122.588 2.192 . . . . 72.21 110.737 174.362 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 34' ' ' ARG . . . . . 0.582 ' HB2' ' N ' ' B' ' 40' ' ' GLY . 36.1 ttt85 -84.82 3.74 36.35 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.818 -0.353 . . . . 71.43 111.846 -171.641 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -53.72 -24.75 15.8 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-O 120.791 0.329 . . . . 72.42 111.774 177.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 72.6 mt -113.94 23.1 13.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.411 -0.359 . . . . 63.52 111.023 -177.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 81.65 31.77 32.18 Favored Glycine 0 C--N 1.332 0.323 0 C-N-CA 120.98 -0.628 . . . . 51.22 111.616 -176.317 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -86.8 -131.54 3.13 Favored Glycine 0 CA--C 1.519 0.307 0 CA-C-N 115.208 -0.496 . . . . 64.12 112.631 -177.595 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -105.67 -39.53 6.05 Favored 'General case' 0 N--CA 1.462 0.159 0 N-CA-C 112.084 0.402 . . . . 71.25 112.084 -173.376 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 40' ' ' GLY . . . . . 0.582 ' N ' ' HB2' ' B' ' 34' ' ' ARG . . . 102.35 31.59 5.21 Favored Glycine 0 C--N 1.328 0.136 0 C-N-CA 120.694 -0.765 . . . . 53.13 113.689 177.626 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -96.24 175.69 6.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.799 0.333 . . . . 75.21 110.708 177.634 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -109.34 9.54 25.69 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-O 121.049 0.452 . . . . 74.14 111.153 -173.593 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -71.78 -156.2 2.53 Favored Glycine 0 CA--C 1.522 0.518 0 CA-C-N 115.168 -0.924 . . . . 72.12 113.506 -177.687 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 44' ' ' THR . . . . . 0.549 ' H ' ' HA ' ' B' ' 30' ' ' LEU . 22.8 m -106.56 156.93 18.07 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 122.52 0.328 . . . . 70.51 110.95 -173.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 45' ' ' ASN . . . . . 0.484 ' HB2' ' HB2' ' B' ' 48' ' ' GLN . 40.4 m-80 -86.38 144.33 37.91 Favored Pre-proline 0 CA--C 1.534 0.359 0 N-CA-C 109.814 -0.439 . . . . 71.14 109.814 176.376 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 46' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' B' ' 45' ' ' ASN . 26.7 Cg_exo -63.29 -49.72 4.37 Favored 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 122.677 2.251 . . . . 54.41 112.272 179.616 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -63.88 -32.12 73.54 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 121.709 0.766 . . . . 73.03 109.681 -178.075 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . 0.484 ' HB2' ' HB2' ' B' ' 45' ' ' ASN . 64.9 tt0 -62.74 -42.5 99.7 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 114.25 -1.341 . . . . 65.22 110.213 177.746 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -68.7 -48.64 63.36 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 115.709 -0.678 . . . . 73.15 109.904 179.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -56.3 -46.7 79.67 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 116.303 -0.408 . . . . 74.53 110.723 178.642 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . 0.47 ' HB3' ' HB3' ' B' ' 81' ' ' ALA . . . -63.66 -52.23 61.61 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.284 -0.416 . . . . 63.22 111.597 -178.791 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.93 -54.16 48.14 Favored 'General case' 0 C--O 1.239 0.511 0 CA-C-O 121.222 0.534 . . . . 74.31 110.528 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -59.55 -50.61 65.91 Favored Glycine 0 N--CA 1.449 -0.482 0 CA-C-N 115.433 -0.803 . . . . 73.22 112.351 -179.538 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 6.2 t80 -59.73 -48.43 81.72 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.505 0.152 . . . . 73.43 110.939 -178.108 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 77.3 p -57.55 -51.59 68.85 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 109.895 -0.409 . . . . 71.55 109.895 -179.277 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.06 -43.26 91.71 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-O 121.072 0.463 . . . . 72.32 111.21 178.524 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 57' ' ' CYS . . . . . . . . . . . . . 97.3 m -64.75 -36.03 82.98 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.818 -0.628 . . . . 72.4 110.9 -178.051 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 30.3 t80 -60.92 -23.21 65.08 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 116.453 -0.34 . . . . 61.11 110.768 -174.361 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . 0.46 ' O ' ' HG3' ' B' ' 63' ' ' LYS . 8.7 mp -65.82 -45.81 80.9 Favored 'General case' 0 N--CA 1.463 0.202 0 N-CA-C 109.743 -0.466 . . . . 73.31 109.743 175.298 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 60' ' ' SER . . . . . 0.532 ' HA ' ' HD3' ' B' ' 63' ' ' LYS . 35.6 t -59.89 -43.54 94.72 Favored 'General case' 0 C--O 1.239 0.538 0 CA-C-O 121.332 0.587 . . . . 73.23 109.5 176.025 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 61' ' ' ALA . . . . . 0.414 ' O ' HG21 ' B' ' 65' ' ' VAL . . . -57.92 -41.54 82.91 Favored 'General case' 0 N--CA 1.457 -0.101 0 CA-C-N 115.484 -0.78 . . . . 44.1 110.123 176.408 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 62' ' ' MET . . . . . 0.501 ' SD ' ' HB2' ' B' ' 118' ' ' ALA . 81.9 mmm -67.75 -31.84 72.03 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-N 116.107 -0.497 . . . . 71.0 110.968 178.364 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . 0.532 ' HD3' ' HA ' ' B' ' 60' ' ' SER . 62.0 mtpt -65.96 -41.17 91.57 Favored 'General case' 0 C--O 1.234 0.242 0 N-CA-C 109.803 -0.443 . . . . 72.03 109.803 177.393 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 61.1 t80 -68.93 -46.83 67.23 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 116.227 -0.442 . . . . 73.11 110.276 175.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 65' ' ' VAL . . . . . 0.414 HG21 ' O ' ' B' ' 61' ' ' ALA . 42.0 t -54.86 -48.55 74.05 Favored 'Isoleucine or valine' 0 C--O 1.233 0.205 0 CA-C-N 116.193 -0.458 . . . . 75.05 110.54 178.38 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -58.53 -32.16 68.6 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.939 -0.573 . . . . 74.13 110.214 178.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -67.33 -31.57 77.4 Favored Glycine 0 N--CA 1.449 -0.473 0 CA-C-N 115.34 -0.845 . . . . 75.04 112.214 -178.5 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -98.99 -13.04 20.07 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 121.382 0.61 . . . . 64.5 109.827 -179.555 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -92.82 1.48 57.26 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.353 -0.84 . . . . 65.21 110.508 176.524 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 63.34 29.55 15.68 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 115.503 -0.771 . . . . 73.12 111.297 175.102 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -127.12 166.06 18.37 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.969 -0.56 . . . . 74.24 110.657 179.565 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 11.1 p -124.93 134.62 52.58 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.308 -0.405 . . . . 74.12 110.715 179.451 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 73' ' ' LEU . . . . . 0.472 HD21 HD23 ' B' ' 103' ' ' LEU . 95.2 mt -109.59 144.26 29.5 Favored Pre-proline 0 C--N 1.33 -0.242 0 CA-C-N 116.33 -0.395 . . . . 75.15 110.894 -179.466 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 74' ' ' PRO . . . . . 0.557 ' HD2' HD11 ' B' ' 103' ' ' LEU . 23.5 Cg_exo -66.07 144.09 74.45 Favored 'Trans proline' 0 C--N 1.35 0.649 0 C-N-CA 123.053 2.502 . . . . 74.32 112.909 179.849 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -76.74 -22.08 54.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.603 0.716 . . . . 71.53 111.009 178.732 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -80.72 22.84 0.56 Allowed 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.161 -0.927 . . . . 60.22 111.493 -172.5 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 77' ' ' THR . . . . . 0.522 ' HA ' ' HD3' ' B' ' 104' ' ' PRO . 9.9 t -87.94 162.09 17.08 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-N 115.997 -0.547 . . . . 73.25 112.118 -175.296 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 1.2 p -150.92 152.37 33.52 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 115.238 -0.892 . . . . 71.23 110.697 -177.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 79' ' ' VAL . . . . . 0.412 ' CG2' HD11 ' B' ' 59' ' ' LEU . 59.8 t -136.78 157.86 36.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 N-CA-C 108.781 -0.822 . . . . 54.24 108.781 178.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 85.6 m -135.73 122.04 20.46 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 122.021 -0.424 . . . . 75.2 110.64 174.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 81' ' ' ALA . . . . . 0.47 ' HB3' ' HB3' ' B' ' 51' ' ' ALA . . . -104.05 111.08 23.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.681 -0.691 . . . . 73.43 109.894 178.249 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -113.99 110.85 20.7 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.647 -0.501 . . . . 71.23 109.647 -177.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . 0.412 ' O ' ' HG3' ' A' ' 6' ' ' LYS . 93.6 t -103.32 136.61 35.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.198 -0.455 . . . . 71.44 111.24 -174.089 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 84' ' ' GLY . . . . . . . . . . . . . . . -136.32 162.65 25.11 Favored Glycine 0 N--CA 1.441 -0.981 0 N-CA-C 111.522 -0.631 . . . . 52.45 111.522 177.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -145.23 134.84 18.3 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.827 0 N-CA-C 109.155 -0.683 . . . . 73.1 109.155 178.695 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -147.4 170.02 28.26 Favored Glycine 0 C--O 1.23 -0.128 0 N-CA-C 111.078 -0.809 . . . . 52.3 111.078 -179.477 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 87' ' ' PRO . . . . . 0.675 ' HD3' ' HG ' ' A' ' 4' ' ' LEU . 23.6 Cg_exo -61.93 129.99 29.42 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.379 2.053 . . . . 70.05 111.714 -177.724 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 88' ' ' ASN . . . . . 0.462 ' HB2' ' C ' ' B' ' 93' ' ' PHE . 47.9 t-20 -81.96 147.45 29.23 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.786 -0.643 . . . . 72.3 109.936 -178.798 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -61.34 -23.47 65.77 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.181 0.515 . . . . 71.21 110.162 177.404 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -67.07 -22.78 65.83 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 115.208 -0.906 . . . . 74.05 110.889 175.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.29 10.11 34.71 Favored Glycine 0 CA--C 1.52 0.36 0 CA-C-N 115.971 -0.559 . . . . 72.2 112.238 -175.544 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . -117.11 -126.55 3.8 Favored Glycine 0 CA--C 1.52 0.351 0 N-CA-C 111.545 -0.622 . . . . 70.13 111.545 177.262 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 93' ' ' PHE . . . . . 0.462 ' C ' ' HB2' ' B' ' 88' ' ' ASN . 18.4 m-85 -123.04 148.36 45.66 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.024 0.44 . . . . 73.12 110.617 179.148 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -128.59 127.73 42.85 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.714 -0.676 . . . . 62.21 109.361 179.767 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -96.28 143.02 27.73 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.044 0.45 . . . . 74.21 110.989 -177.202 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 96' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -128.6 110.3 12.12 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 114.958 -1.019 . . . . 73.53 109.264 -178.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 97' ' ' VAL . . . . . . . . . . . . . 51.7 t -114.23 110.73 33.16 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.041 0 CA-C-O 120.732 0.301 . . . . 65.34 110.245 -178.279 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -101.35 111.55 23.8 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.377 -0.374 . . . . 74.42 110.256 -177.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 88.9 mt -103.86 107.1 17.83 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-N 116.238 -0.437 . . . . 75.14 110.205 179.277 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 100' ' ' ARG . . . . . 0.513 ' HA ' HG12 ' B' ' 137' ' ' VAL . 53.2 ttt180 -99.42 119.8 38.57 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.015 -0.539 . . . . 70.24 109.933 -179.122 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 101' ' ' VAL . . . . . . . . . . . . . 93.7 t -103.68 106.41 20.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.351 -0.386 . . . . 60.12 111.322 -174.695 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -104.1 101.19 10.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.902 0.382 . . . . 53.32 110.264 176.55 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 103' ' ' LEU . . . . . 0.802 HD21 HD22 ' B' ' 106' ' ' LEU . 32.0 tp -110.84 122.66 37.5 Favored Pre-proline 0 C--N 1.329 -0.309 0 N-CA-C 108.783 -0.821 . . . . 72.24 108.783 178.823 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 104' ' ' PRO . . . . . 0.522 ' HD3' ' HA ' ' B' ' 77' ' ' THR . 70.7 Cg_endo -73.01 150.96 49.52 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.224 1.949 . . . . 74.24 112.348 -176.389 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 105' ' ' GLY . . . . . . . . . . . . . . . 66.72 14.78 63.37 Favored Glycine 0 CA--C 1.521 0.423 0 CA-C-N 115.539 -0.755 . . . . 72.34 112.886 -179.014 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 106' ' ' LEU . . . . . 0.802 HD22 HD21 ' B' ' 103' ' ' LEU . 26.6 tp -113.79 136.91 52.34 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-O 121.209 0.528 . . . . 65.44 111.133 -177.201 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -75.48 148.23 39.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.231 -0.895 . . . . 63.12 110.176 175.478 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 108' ' ' ALA . . . . . 0.404 ' O ' ' HG3' ' B' ' 112' ' ' LYS . . . -66.11 -41.52 90.46 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.878 0.371 . . . . 74.55 110.891 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -59.38 -46.82 87.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.027 -0.533 . . . . 64.51 110.295 178.727 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 110' ' ' ALA . . . . . 0.573 ' O ' HG21 ' B' ' 113' ' ' THR . . . -67.78 -39.91 84.04 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.692 -0.686 . . . . 72.03 110.24 178.126 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 111' ' ' ALA . . . . . 0.474 ' HA ' HD23 ' B' ' 106' ' ' LEU . . . -55.07 -43.94 74.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.851 -0.613 . . . . 64.14 110.829 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 112' ' ' LYS . . . . . 0.404 ' HG3' ' O ' ' B' ' 108' ' ' ALA . 53.9 mtpt -53.35 -42.31 66.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.687 -0.688 . . . . 74.45 111.663 178.732 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 113' ' ' THR . . . . . 0.573 HG21 ' O ' ' B' ' 110' ' ' ALA . 1.3 t -79.69 -35.22 39.44 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-O 120.709 0.29 . . . . 72.03 110.663 -176.326 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 114' ' ' LEU . . . . . 0.498 ' HG ' ' O ' ' B' ' 110' ' ' ALA . 51.4 mt -66.08 -49.18 68.51 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-O 120.935 0.398 . . . . 72.05 110.201 -179.257 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 115' ' ' VAL . . . . . 0.543 HG23 HG11 ' B' ' 138' ' ' VAL . 73.5 t -58.75 -40.38 79.49 Favored 'Isoleucine or valine' 0 C--O 1.239 0.534 0 CA-C-N 115.806 -0.634 . . . . 63.55 110.25 176.477 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -58.93 -61.44 2.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.405 -0.816 . . . . 75.43 111.053 -178.733 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 117' ' ' ARG . . . . . 0.437 ' HG2' ' O ' ' B' ' 113' ' ' THR . 15.9 ptm180 -61.38 -44.12 97.7 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 115.869 -0.605 . . . . 70.2 110.984 -177.141 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 118' ' ' ALA . . . . . 0.501 ' HB2' ' SD ' ' B' ' 62' ' ' MET . . . -58.6 -49.76 76.31 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-O 120.978 0.418 . . . . 61.11 111.363 -177.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 119' ' ' HIS . . . . . 0.459 ' CE1' HG13 ' B' ' 115' ' ' VAL . 65.6 m80 -74.83 -5.2 42.23 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.218 -0.446 . . . . 74.31 111.934 -175.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 13.6 t-80 -103.77 -34.73 8.46 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-O 120.61 0.243 . . . . 73.32 110.699 179.676 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 32.9 m -81.5 -30.33 10.85 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.26 0 CA-C-O 120.952 0.406 . . . . 73.14 110.416 178.08 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 122' ' ' CYS . . . . . . . . . . . . . 53.0 t -123.26 77.57 52.82 Favored Pre-proline 0 C--N 1.331 -0.234 0 N-CA-C 109.615 -0.513 . . . . 74.53 109.615 176.043 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 123' ' ' PRO . . . . . . . . . . . . . 87.2 Cg_endo -101.26 107.56 0.04 OUTLIER 'Trans proline' 0 N--CA 1.45 -1.046 0 C-N-CA 123.392 2.728 . . . . 65.25 113.198 -177.565 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 124' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.282 0 N-CA-C 108.938 -0.764 . . . . 65.35 108.938 170.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 128' ' ' THR . . . . . 0.405 ' O ' ' HB ' ' B' ' 132' ' ' VAL . 0.6 OUTLIER . . . . . 0 CA--C 1.534 0.338 0 CA-C-O 120.754 0.311 . . . . 64.4 110.608 . . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 129' ' ' ARG . . . . . . . . . . . . . 10.6 ptp180 -125.57 -40.51 2.08 Favored 'General case' 0 N--CA 1.463 0.193 0 N-CA-C 111.741 0.274 . . . . 75.21 111.741 -176.151 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 130' ' ' ASN . . . . . . . . . . . . . 55.7 m-80 -78.67 -36.84 43.14 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 121.145 0.498 . . . . 74.14 109.71 174.502 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 131' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -81.95 -43.84 17.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.679 -0.691 . . . . 75.43 110.832 -179.474 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 132' ' ' VAL . . . . . 0.405 ' HB ' ' O ' ' B' ' 128' ' ' THR . 21.6 t -98.07 155.67 3.72 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.301 0 CA-C-N 116.082 -0.508 . . . . 62.31 110.49 -177.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 133' ' ' ALA . . . . . . . . . . . . . . . -79.68 103.1 9.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.308 0.575 . . . . 72.23 111.279 -177.481 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 134' ' ' VAL . . . . . . . . . . . . . 46.8 t -123.73 110.46 25.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.483 -0.78 . . . . 64.53 110.039 177.202 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 82.1 mtt180 -76.62 114.43 15.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.97 -0.559 . . . . 74.32 110.407 -179.231 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 33.7 mt -91.46 109.1 20.39 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.335 -0.617 . . . . 72.41 109.335 170.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 137' ' ' VAL . . . . . 0.513 HG12 ' HA ' ' B' ' 100' ' ' ARG . 0.2 OUTLIER -125.95 128.88 72.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.731 -0.668 . . . . 74.23 110.441 -175.216 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 138' ' ' VAL . . . . . 0.543 HG11 HG23 ' B' ' 115' ' ' VAL . 3.1 m -98.71 138.35 23.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 115.937 -0.574 . . . . 70.52 110.076 -179.292 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 139' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.045 0 CA-C-N 115.704 -0.68 . . . . 71.35 110.511 -176.631 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.508 ' SD ' ' HB2' ' B' ' 96' ' ' ASP . 25.7 ptm . . . . . 0 N--CA 1.487 1.42 0 CA-C-O 121.03 0.443 . . . . 71.43 110.791 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . 0.41 ' O ' ' HA3' ' B' ' 86' ' ' GLY . 49.7 t30 -91.11 84.15 5.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.807 -0.633 . . . . 75.52 109.631 -178.868 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.509 HG21 ' HB2' ' A' ' 6' ' ' LYS . 27.0 mm -76.67 131.49 34.75 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-N 115.838 -0.619 . . . . 51.02 112.367 -178.429 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.667 ' HG ' ' HD3' ' B' ' 87' ' ' PRO . 81.7 mt -90.93 -44.06 9.6 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-N 115.216 -0.902 . . . . 74.21 109.723 172.307 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 23.6 t80 -136.04 129.63 32.27 Favored 'General case' 0 C--O 1.221 -0.403 0 CA-C-N 115.582 -0.735 . . . . 73.42 109.911 -177.537 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.509 ' HB2' HG21 ' A' ' 3' ' ' ILE . 28.1 ttmt -142.28 132.65 24.99 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.026 0.441 . . . . 62.42 110.125 174.698 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 12.3 t -134.53 149.8 50.7 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.389 -0.823 . . . . 73.02 109.865 -178.309 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.454 ' HA ' ' HA ' ' B' ' 82' ' ' GLU . . . -112.57 151.3 30.21 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-O 121.128 0.49 . . . . 64.34 111.685 -174.02 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.462 ' HA ' ' H ' ' A' ' 22' ' ' HIS . . . -143.66 126.88 16.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.847 -0.615 . . . . 73.03 110.08 176.287 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.474 HG23 ' HB ' ' A' ' 20' ' ' THR . 4.8 t -99.41 137.06 38.45 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.465 -0.334 . . . . 73.43 110.114 178.68 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 58.7 p -126.06 113.52 17.2 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.122 0.487 . . . . 74.42 110.495 179.138 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 4.9 m -106.4 161.91 14.16 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.169 -0.469 . . . . 72.12 110.746 -178.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -79.52 72.93 2.46 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 121.017 -0.611 . . . . 62.44 111.727 174.463 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -60.08 -101.78 0.01 OUTLIER Glycine 0 C--N 1.338 0.667 0 C-N-CA 121.455 -0.402 . . . . 62.02 112.368 178.258 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 10.3 tpt180 -82.72 -54.6 5.01 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 108.985 -0.746 . . . . 73.04 108.985 174.504 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.508 ' HB3' ' HA ' ' A' ' 31' ' ' SER . 22.0 t70 -125.62 -41.8 1.98 Allowed 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 107.764 -1.199 . . . . 74.22 107.764 169.176 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -154.56 159.33 28.86 Favored Glycine 0 N--CA 1.445 -0.733 0 CA-C-N 115.273 -0.876 . . . . 73.12 110.912 170.38 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.586 ' HA ' ' HA ' ' A' ' 29' ' ' LYS . 56.4 ttp180 -137.6 147.69 45.24 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 109.346 -0.612 . . . . 73.24 109.346 176.799 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.437 ' HB2' ' HB1' ' B' ' 56' ' ' ALA . . . -130.44 123.55 30.03 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.855 -0.424 . . . . 71.12 109.855 177.104 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.474 ' HB ' HG23 ' A' ' 10' ' ' THR . 27.9 m -133.27 111.01 10.49 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.69 -0.686 . . . . 65.23 110.039 -179.221 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.466 ' HB3' ' N ' ' A' ' 26' ' ' LEU . 44.8 t -68.47 108.73 3.39 Favored 'General case' 0 C--O 1.246 0.875 0 N-CA-C 107.49 -1.3 . . . . 62.3 107.49 177.53 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.462 ' H ' ' HA ' ' A' ' 9' ' ' ALA . 31.8 t60 -56.16 -23.52 35.44 Favored 'General case' 0 N--CA 1.47 0.528 0 O-C-N 125.783 1.927 . . . . 71.44 112.563 -165.19 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.439 ' CB ' ' HE3' ' A' ' 25' ' ' LYS . 4.2 m-20 -80.3 19.46 0.76 Allowed 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 109.708 -0.479 . . . . 73.43 109.708 179.578 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.449 ' H ' ' C ' ' A' ' 22' ' ' HIS . 29.7 mm-40 69.87 16.59 7.72 Favored 'General case' 0 CA--C 1.519 -0.229 0 CA-C-N 115.192 -0.913 . . . . 72.53 110.03 176.66 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.439 ' HE3' ' CB ' ' A' ' 23' ' ' ASP . 95.1 mttt -78.62 -35.33 45.71 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-N 115.113 -0.949 . . . . 73.44 111.003 -178.646 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.466 ' N ' ' HB3' ' A' ' 21' ' ' SER . 56.0 tp -145.69 147.85 32.4 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 120.141 -0.624 . . . . 74.42 111.634 -175.541 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -156.96 94.89 1.47 Allowed 'General case' 0 N--CA 1.463 0.219 0 O-C-N 123.558 0.536 . . . . 74.5 110.413 177.026 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 4.3 m -145.01 177.3 1.78 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.422 0 CA-C-N 116.264 -0.425 . . . . 62.12 110.685 177.181 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.657 ' HZ1' ' HB3' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -131.42 147.32 52.55 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.249 -0.432 . . . . 62.42 110.733 -176.904 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.651 ' HA ' ' H ' ' A' ' 44' ' ' THR . 0.0 OUTLIER -130.32 165.78 21.78 Favored 'General case' 0 C--O 1.244 0.773 0 CA-C-N 116.205 -0.452 . . . . 73.21 110.802 178.8 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.508 ' HA ' ' HB3' ' A' ' 16' ' ' ASP . 47.2 m -161.09 177.44 10.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.874 -0.603 . . . . 75.34 110.278 -175.304 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.438 ' O ' ' HA3' ' A' ' 38' ' ' GLY . . . -88.79 149.05 42.96 Favored Pre-proline 0 C--N 1.326 -0.454 0 CA-C-N 115.885 -0.598 . . . . 52.21 110.139 179.857 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.507 ' HG3' ' ND2' ' A' ' 45' ' ' ASN . 31.3 Cg_exo -61.35 125.12 16.12 Favored 'Trans proline' 0 C--O 1.234 0.306 0 C-N-CA 122.584 2.189 . . . . 73.33 112.38 -179.316 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.423 ' HG2' ' HA2' ' A' ' 40' ' ' GLY . 0.5 OUTLIER -52.2 -27.75 15.8 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 120.847 0.356 . . . . 64.52 110.834 173.586 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 17.3 mp0 -56.78 -34.76 67.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.567 -0.742 . . . . 75.14 110.569 176.657 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 72.4 mt -107.53 14.97 25.27 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.846 -0.615 . . . . 73.53 110.809 -176.616 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.32 36.44 8.83 Favored Glycine 0 CA--C 1.519 0.309 0 C-N-CA 121.06 -0.59 . . . . 72.22 112.576 179.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.438 ' HA3' ' O ' ' A' ' 32' ' ' ALA . . . -66.7 -7.63 42.61 Favored Glycine 0 C--N 1.334 0.451 0 C-N-CA 121.559 -0.353 . . . . 73.44 113.559 -179.823 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . 77.07 -0.65 2.92 Favored 'General case' 0 N--CA 1.448 -0.572 0 C-N-CA 123.737 0.815 . . . . 63.22 111.352 172.367 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.423 ' HA2' ' HG2' ' A' ' 34' ' ' ARG . . . 102.76 102.23 2.67 Favored Glycine 0 N--CA 1.433 -1.5 0 CA-C-N 115.107 -0.951 . . . . 45.53 113.787 163.795 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -164.55 146.14 8.28 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.85 -0.426 . . . . 51.12 109.85 173.411 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -101.24 35.82 2.15 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.867 -0.606 . . . . 71.23 110.517 -177.626 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -82.64 -123.9 0.82 Allowed Glycine 0 CA--C 1.521 0.428 0 CA-C-N 115.703 -0.68 . . . . 55.55 112.559 -179.372 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.651 ' H ' ' HA ' ' A' ' 30' ' ' LEU . 92.5 m -140.87 151.31 44.19 Favored 'General case' 0 N--CA 1.45 -0.46 0 N-CA-C 109.964 -0.384 . . . . 74.01 109.964 -178.566 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.507 ' ND2' ' HG3' ' A' ' 33' ' ' PRO . 1.1 m-20 -84.73 139.5 37.74 Favored Pre-proline 0 CA--C 1.534 0.332 0 N-CA-C 110.044 -0.354 . . . . 72.33 110.044 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.598 ' HB3' ' SG ' ' B' ' 57' ' ' CYS . 38.4 Cg_exo -58.86 -59.75 0.43 Allowed 'Trans proline' 0 CA--C 1.536 0.596 0 C-N-CA 123.204 2.603 . . . . 63.04 113.176 -177.044 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.428 ' CD ' ' H ' ' A' ' 47' ' ' GLU . 2.8 mp0 -56.16 -39.7 72.71 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-O 121.733 0.778 . . . . 62.13 109.48 -179.052 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.436 ' HB3' ' HB2' ' A' ' 45' ' ' ASN . 25.5 tt0 -61.76 -41.11 97.27 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 114.426 -1.261 . . . . 74.41 110.813 178.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.456 HD12 ' HA3' ' B' ' 53' ' ' GLY . 2.5 tm? -65.27 -49.35 69.88 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 115.74 -0.664 . . . . 71.11 109.701 -178.702 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 61.2 t80 -60.61 -44.2 96.58 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 116.346 -0.388 . . . . 65.21 110.369 177.69 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.441 ' HB3' HG11 ' A' ' 83' ' ' VAL . . . -54.08 -53.01 58.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 52.03 111.436 177.855 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.39 -45.59 93.0 Favored 'General case' 0 C--O 1.236 0.342 0 CA-C-N 116.083 -0.508 . . . . 73.32 110.613 -179.514 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.502 ' HA3' HD11 ' B' ' 49' ' ' LEU . . . -65.13 -37.4 94.08 Favored Glycine 0 N--CA 1.449 -0.463 0 CA-C-N 115.784 -0.644 . . . . 45.35 112.46 -179.812 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.424 ' HE1' ' SG ' ' A' ' 122' ' ' CYS . 4.7 t80 -75.24 -37.78 60.87 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 122.25 0.22 . . . . 74.55 110.739 -177.446 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.506 ' HB3' ' HB3' ' A' ' 81' ' ' ALA . 17.0 p -66.3 -44.02 84.67 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.012 0.434 . . . . 73.1 109.845 177.273 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.507 ' HB1' HD23 ' B' ' 30' ' ' LEU . . . -64.24 -40.2 95.54 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 115.857 -0.61 . . . . 72.41 110.301 175.283 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.729 ' SG ' ' HB3' ' B' ' 46' ' ' PRO . 44.0 t -62.7 -36.65 83.64 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.606 -0.724 . . . . 74.4 110.274 176.625 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -64.0 -40.7 96.95 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.988 -0.551 . . . . 74.24 109.623 -178.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 85.6 mt -65.01 -43.34 92.81 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.569 -0.742 . . . . 74.12 110.285 176.542 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 34.7 m -62.24 -44.67 96.02 Favored 'General case' 0 C--O 1.239 0.544 0 CA-C-N 115.841 -0.618 . . . . 74.4 110.198 178.214 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -60.76 -47.2 87.37 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-N 115.315 -0.857 . . . . 64.15 110.05 178.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 85.2 mmm -62.23 -34.61 76.83 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.253 -0.43 . . . . 61.32 110.954 178.701 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 8.3 ttpm? -65.42 -43.41 90.64 Favored 'General case' 0 C--O 1.233 0.214 0 N-CA-C 109.969 -0.382 . . . . 62.32 109.969 178.559 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 77.4 t80 -67.04 -49.09 66.3 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 116.18 -0.464 . . . . 70.35 110.602 177.332 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 53.4 t -55.65 -48.34 77.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.041 -0.527 . . . . 51.41 110.892 -179.431 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -56.39 -31.2 63.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.092 0.473 . . . . 55.45 110.488 178.364 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -71.51 -31.71 65.32 Favored Glycine 0 CA--C 1.518 0.243 0 CA-C-N 115.424 -0.807 . . . . 65.01 112.448 -178.344 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -96.2 -12.89 23.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.424 0.631 . . . . 73.33 109.365 179.705 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.406 ' HB3' ' HG2' ' A' ' 71' ' ' GLN . 0.9 OUTLIER -90.47 -5.2 56.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.143 -0.935 . . . . 73.35 110.274 175.88 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 58.33 26.55 14.15 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 115.724 -0.671 . . . . 70.5 110.904 178.155 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.457 HE22 HD21 ' A' ' 73' ' ' LEU . 2.3 pt20 -117.38 161.36 19.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.772 -0.649 . . . . 65.11 109.978 179.296 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 3.4 p -115.83 139.28 50.34 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.909 0.385 . . . . 71.13 110.982 -179.661 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.457 HD21 HE22 ' A' ' 71' ' ' GLN . 94.0 mt -109.4 137.86 20.38 Favored Pre-proline 0 C--N 1.326 -0.415 0 CA-C-N 115.957 -0.565 . . . . 64.52 109.575 178.152 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . 0.59 ' HB2' ' HG2' ' A' ' 104' ' ' PRO . 32.2 Cg_exo -59.78 138.81 85.19 Favored 'Trans proline' 0 C--N 1.349 0.569 0 C-N-CA 122.722 2.281 . . . . 75.32 112.44 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -77.16 2.18 16.12 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.205 0.446 . . . . 74.43 112.205 -176.685 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.411 ' HB3' ' HG3' ' A' ' 104' ' ' PRO . 27.8 t70 -95.06 1.51 55.07 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.371 0.605 . . . . 72.44 110.707 -178.844 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 9.6 t -72.36 152.72 41.89 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.722 -0.672 . . . . 74.0 111.685 -175.431 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 29.5 m -154.2 150.67 28.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.792 -0.64 . . . . 72.13 110.049 -178.564 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 79.2 t -129.49 121.33 52.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 N-CA-C 110.008 -0.367 . . . . 73.54 110.008 177.273 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 21.0 m -102.74 111.07 23.22 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.096 -0.502 . . . . 61.0 110.316 179.207 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.506 ' HB3' ' HB3' ' A' ' 55' ' ' SER . . . -93.69 106.49 18.46 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.052 -0.522 . . . . 75.0 109.975 178.078 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.421 ' HA ' ' HA ' ' B' ' 8' ' ' ALA . 34.8 tt0 -110.15 108.59 18.8 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.491 -0.559 . . . . 75.53 109.491 -178.823 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.441 HG11 ' HB3' ' A' ' 51' ' ' ALA . 21.8 m -108.9 144.96 16.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.978 0.418 . . . . 74.25 111.049 -173.725 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . 0.432 ' HA2' ' HA ' ' B' ' 6' ' ' LYS . . . -142.3 165.93 26.55 Favored Glycine 0 N--CA 1.446 -0.689 0 CA-C-N 115.722 -0.672 . . . . 64.22 111.868 -179.346 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -145.45 131.65 14.21 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 N-CA-C 109.773 -0.454 . . . . 71.32 109.773 -178.384 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -148.47 169.9 29.02 Favored Glycine 0 N--CA 1.453 -0.193 0 CA-C-N 115.251 -0.886 . . . . 64.2 111.422 177.329 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . 0.703 ' HD3' ' HG ' ' B' ' 4' ' ' LEU . 2.8 Cg_endo -79.29 123.01 5.37 Favored 'Trans proline' 0 N--CA 1.458 -0.577 0 C-N-CA 122.89 2.393 . . . . 75.13 111.75 -179.3 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . 0.48 ' HB2' ' HB1' ' A' ' 94' ' ' ALA . 47.7 t30 -70.95 149.24 46.89 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.126 -0.488 . . . . 63.43 110.092 177.26 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -62.05 -19.01 62.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.294 -0.412 . . . . 74.31 111.357 -177.19 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -67.19 -21.8 65.77 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.041 -0.527 . . . . 62.35 111.135 178.05 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.24 35.17 3.45 Favored Glycine 0 C--N 1.328 0.109 0 N-CA-C 111.49 -0.644 . . . . 52.42 111.49 -176.254 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -144.41 -154.66 6.2 Favored Glycine 0 N--CA 1.451 -0.343 0 N-CA-C 111.082 -0.807 . . . . 74.12 111.082 179.457 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 37.4 m-85 -100.38 166.25 11.05 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 117.097 0.448 . . . . 72.25 110.485 178.19 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . 0.48 ' HB1' ' HB2' ' A' ' 88' ' ' ASN . . . -152.22 126.26 9.14 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.755 -0.657 . . . . 73.43 109.462 175.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -99.91 122.46 42.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.739 -0.664 . . . . 75.45 110.307 -178.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -110.09 112.02 23.75 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.344 -0.844 . . . . 62.1 109.686 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.426 ' O ' ' HA ' ' A' ' 134' ' ' VAL . 60.1 t -111.46 110.83 33.63 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.795 0 CA-C-N 116.133 -0.485 . . . . 41.42 110.363 -178.769 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -101.15 109.28 21.13 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.594 -0.521 . . . . 52.25 109.594 179.767 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 74.8 mt -100.41 112.57 24.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.489 -0.323 . . . . 73.33 110.429 -177.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . 0.54 ' HA ' ' O ' ' A' ' 137' ' ' VAL . 98.1 mtt180 -99.27 113.76 26.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.486 . . . . 73.43 109.992 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 44.1 t -107.36 97.8 6.13 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-N 116.304 -0.407 . . . . 72.23 110.316 -175.482 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -91.83 101.35 13.93 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.843 0.354 . . . . 73.1 110.1 179.722 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.757 HD22 HD22 ' A' ' 106' ' ' LEU . 25.8 tp -115.07 107.32 50.11 Favored Pre-proline 0 C--N 1.328 -0.364 0 N-CA-C 108.567 -0.901 . . . . 73.31 108.567 177.304 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . 0.59 ' HG2' ' HB2' ' A' ' 74' ' ' PRO . 55.7 Cg_endo -70.73 148.97 59.96 Favored 'Trans proline' 0 C--O 1.233 0.265 0 C-N-CA 122.881 2.387 . . . . 73.52 112.788 -171.667 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 77.57 4.19 84.34 Favored Glycine 0 CA--C 1.518 0.277 0 CA-C-N 115.463 -0.79 . . . . 54.45 112.245 -179.074 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.757 HD22 HD22 ' A' ' 103' ' ' LEU . 18.2 tp -113.96 141.34 47.52 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 122.784 0.434 . . . . 65.03 111.045 -175.81 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -78.29 143.38 37.04 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 115.808 -0.633 . . . . 72.42 110.62 176.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -58.88 -37.77 77.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.322 -0.399 . . . . 74.35 111.021 178.406 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -57.28 -47.68 80.84 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 115.958 -0.565 . . . . 64.13 111.32 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . 0.538 ' O ' HG23 ' A' ' 113' ' ' THR . . . -75.94 -37.21 58.93 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-O 121.299 0.571 . . . . 73.25 110.172 179.243 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . 0.421 ' HA ' HD23 ' A' ' 106' ' ' LEU . . . -55.5 -39.62 70.68 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.439 -0.801 . . . . 54.13 110.717 179.768 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 57.0 mmtt -54.73 -42.25 71.35 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.99 -0.55 . . . . 74.23 111.35 177.379 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' THR . . . . . 0.538 HG23 ' O ' ' A' ' 110' ' ' ALA . 0.8 OUTLIER -77.21 -34.89 56.01 Favored 'General case' 0 CA--C 1.529 0.17 0 CA-C-O 120.711 0.291 . . . . 74.22 110.527 -177.695 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 56.2 mt -65.77 -49.8 67.05 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-O 120.878 0.371 . . . . 61.01 110.52 179.751 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . 0.428 HG23 HG12 ' A' ' 138' ' ' VAL . 57.4 t -65.46 -33.12 61.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.142 -0.481 . . . . 72.22 110.352 178.481 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -60.68 -61.05 2.87 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.885 -0.598 . . . . 65.51 110.031 178.72 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 6.4 ptm180 -61.15 -39.12 88.89 Favored 'General case' 0 CA--C 1.527 0.092 0 CA-C-N 115.953 -0.567 . . . . 65.24 110.488 -177.708 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -60.22 -52.62 64.54 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-O 120.899 0.38 . . . . 63.41 111.1 179.556 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 82.8 t60 -73.03 -14.1 61.35 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-O 120.965 0.412 . . . . 74.13 110.406 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 19.7 t60 -84.63 -31.42 24.24 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 115.855 -0.611 . . . . 75.14 110.689 178.331 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 32.8 m -96.5 -4.97 9.98 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.385 0 CA-C-N 116.711 -0.222 . . . . 74.54 111.303 -179.645 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' CYS . . . . . 0.424 ' SG ' ' HE1' ' A' ' 54' ' ' TYR . 50.9 t -65.12 114.74 16.31 Favored Pre-proline 0 CA--C 1.533 0.325 0 CA-C-N 116.273 -0.421 . . . . 72.12 110.094 178.461 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_endo -85.95 24.13 0.78 Allowed 'Trans proline' 0 C--N 1.35 0.634 0 C-N-CA 123.101 2.534 . . . . 75.04 113.938 -171.621 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' TYR . . . . . 0.524 ' O ' ' HB2' ' A' ' 125' ' ' SER . 7.4 m-85 -69.08 -35.58 76.66 Favored 'General case' 0 N--CA 1.464 0.245 0 C-N-CA 120.932 -0.307 . . . . 65.44 110.278 175.135 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' SER . . . . . 0.524 ' HB2' ' O ' ' A' ' 124' ' ' TYR . 22.6 t 166.37 148.96 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.15 0 O-C-N 124.129 0.893 . . . . 65.33 109.41 175.49 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' ASN . . . . . 0.544 ' O ' ' HG2' ' A' ' 129' ' ' ARG . 96.4 m-20 -63.83 -31.35 72.49 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 108.473 -0.936 . . . . 73.42 108.473 170.009 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . 0.444 ' O ' HG23 ' A' ' 132' ' ' VAL . . . -61.59 -3.1 0.92 Allowed 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.038 -0.983 . . . . 54.1 112.209 179.594 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' THR . . . . . 0.428 HG23 ' O ' ' A' ' 125' ' ' SER . 4.3 t -87.39 -7.56 57.59 Favored 'General case' 0 CA--C 1.519 -0.237 0 N-CA-C 108.212 -1.032 . . . . 73.21 108.212 -174.08 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . 0.544 ' HG2' ' O ' ' A' ' 126' ' ' ASN . 8.6 ptp85 -132.98 -46.66 0.85 Allowed 'General case' 0 N--CA 1.438 -1.044 0 CA-C-N 114.498 -1.228 . . . . 72.04 111.074 -177.511 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 6.5 m120 -78.97 -35.7 42.65 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-O 120.817 0.341 . . . . 71.52 111.751 -176.02 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -99.01 -38.18 9.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 72.12 110.79 -173.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . 0.444 HG23 ' O ' ' A' ' 127' ' ' ALA . 95.6 t -100.12 134.17 40.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.79 0.329 . . . . 70.22 110.34 -174.759 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -77.0 94.71 4.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.226 0.536 . . . . 45.42 110.446 -179.581 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . 0.426 ' HA ' ' O ' ' A' ' 97' ' ' VAL . 52.8 t -111.74 109.61 29.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.623 -0.717 . . . . 75.02 110.35 178.191 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 17.2 mtm180 -83.66 111.57 19.25 Favored 'General case' 0 C--O 1.236 0.391 0 N-CA-C 109.529 -0.545 . . . . 74.34 109.529 178.413 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . 0.416 HD23 ' HA ' ' A' ' 136' ' ' LEU . 70.3 mt -87.86 102.57 14.82 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-O 121.575 0.702 . . . . 50.04 111.318 -177.66 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . 0.54 ' O ' ' HA ' ' A' ' 100' ' ' ARG . 0.2 OUTLIER -105.97 115.33 47.44 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-N 114.803 -1.09 . . . . 74.42 109.705 179.168 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . 0.428 HG12 HG23 ' A' ' 115' ' ' VAL . 5.7 m -94.21 138.84 19.64 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 CA-C-N 115.798 -0.637 . . . . 71.15 109.874 -178.416 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.312 -1.056 0 CA-C-N 115.331 -0.85 . . . . 73.13 110.862 -175.057 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 1' ' ' MET . . . . . 0.441 ' HE3' ' HB3' ' A' ' 94' ' ' ALA . 27.8 ptm . . . . . 0 C--O 1.236 0.361 0 CA-C-O 120.974 0.416 . . . . 72.42 110.924 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 36.3 t30 -99.26 83.82 2.91 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.734 -0.666 . . . . 61.35 109.797 179.525 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . 0.5 HG23 ' HB2' ' B' ' 6' ' ' LYS . 25.8 mm -71.5 125.39 29.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-O 121.241 0.543 . . . . 72.42 111.516 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . 0.703 ' HG ' ' HD3' ' A' ' 87' ' ' PRO . 87.1 mt -83.17 -45.43 13.92 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.317 -0.856 . . . . 75.25 109.534 174.43 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 5' ' ' TYR . . . . . . . . . . . . . 45.2 t80 -141.23 129.84 22.74 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.006 -0.543 . . . . 75.45 110.752 -179.351 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . 0.5 ' HB2' HG23 ' B' ' 3' ' ' ILE . 30.8 ttmt -138.04 136.94 37.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.283 -0.417 . . . . 65.01 110.349 175.611 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 10.3 t -133.63 162.39 32.05 Favored 'General case' 0 C--O 1.239 0.505 0 CA-C-N 115.798 -0.637 . . . . 73.02 109.922 178.451 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . 0.421 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . . . -124.19 148.44 47.26 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 121.454 0.645 . . . . 64.22 111.784 -173.617 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . 0.612 ' HA ' ' H ' ' B' ' 22' ' ' HIS . . . -133.89 136.0 44.03 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.565 -0.743 . . . . 71.2 109.689 175.79 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 31.9 m -117.68 108.54 15.54 Favored 'General case' 0 N--CA 1.443 -0.819 0 N-CA-C 109.118 -0.697 . . . . 64.31 109.118 -174.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 70.8 m -112.58 117.35 32.07 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 115.963 -0.562 . . . . 74.14 110.528 -176.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 2.9 m -98.92 156.5 16.86 Favored 'General case' 0 C--O 1.242 0.682 0 CA-C-N 115.904 -0.589 . . . . 73.24 111.349 -175.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -73.75 72.77 1.26 Allowed Glycine 0 N--CA 1.446 -0.691 0 CA-C-N 115.728 -0.669 . . . . 71.12 111.714 174.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -63.67 -175.68 3.63 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 121.308 -0.472 . . . . 73.4 112.345 176.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -49.77 -38.87 35.86 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 120.879 0.371 . . . . 65.14 110.449 -177.859 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -125.7 -43.32 1.87 Allowed 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 108.348 -0.982 . . . . 65.33 108.348 171.261 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -169.71 161.84 35.22 Favored Glycine 0 C--N 1.341 0.824 0 N-CA-C 111.034 -0.827 . . . . 74.22 111.034 160.033 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 18' ' ' ARG . . . . . 0.463 ' HD3' ' O ' ' B' ' 28' ' ' VAL . 15.2 tpp85 -137.75 130.2 29.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 117.391 0.595 . . . . 74.4 110.203 176.862 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 19' ' ' ALA . . . . . 0.421 ' HB2' ' HB3' ' A' ' 56' ' ' ALA . . . -127.63 129.96 48.14 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.21 0.529 . . . . 64.31 110.274 177.253 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 85.4 m -139.24 110.06 6.74 Favored 'General case' 0 C--N 1.317 -0.813 0 N-CA-C 109.575 -0.528 . . . . 75.11 109.575 176.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 21' ' ' SER . . . . . 0.484 ' HB3' ' N ' ' B' ' 26' ' ' LEU . 32.5 t -65.88 108.64 2.22 Favored 'General case' 0 C--O 1.248 1.002 0 N-CA-C 107.158 -1.423 . . . . 74.21 107.158 178.005 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 22' ' ' HIS . . . . . 0.612 ' H ' ' HA ' ' B' ' 9' ' ' ALA . 4.9 t-80 -48.44 -38.16 19.05 Favored 'General case' 0 N--CA 1.468 0.451 0 O-C-N 125.98 2.05 . . . . 73.12 113.202 -163.864 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -79.97 25.82 0.36 Allowed 'General case' 0 C--N 1.315 -0.924 0 CA-C-O 121.02 0.438 . . . . 63.54 110.903 -174.259 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 24' ' ' GLN . . . . . 0.438 ' H ' ' C ' ' B' ' 22' ' ' HIS . 31.6 mm-40 67.83 26.98 7.51 Favored 'General case' 0 C--N 1.342 0.264 0 CA-C-N 115.299 -0.864 . . . . 71.43 110.028 175.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . 0.527 ' HE2' ' HA ' ' B' ' 25' ' ' LYS . 12.0 mmpt? -87.76 -32.15 19.26 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-N 115.069 -0.968 . . . . 41.25 110.409 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . 0.484 ' N ' ' HB3' ' B' ' 21' ' ' SER . 39.7 tp -152.68 149.55 28.53 Favored 'General case' 0 CA--C 1.509 -0.604 0 C-N-CA 120.549 -0.46 . . . . 73.34 111.164 -178.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -157.59 90.75 1.11 Allowed 'General case' 0 N--CA 1.448 -0.555 0 CA-C-O 121.388 0.613 . . . . 53.33 111.067 -178.037 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 28' ' ' VAL . . . . . 0.463 ' O ' ' HD3' ' B' ' 18' ' ' ARG . 3.1 m -146.4 157.99 11.25 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.363 0 CA-C-O 121.737 0.779 . . . . 74.12 112.15 178.239 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . 0.444 ' HA ' ' HA ' ' B' ' 18' ' ' ARG . 15.0 tttp -95.5 139.06 32.31 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 114.641 -1.163 . . . . 74.12 108.888 169.224 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . 0.62 ' HB2' ' O ' ' B' ' 44' ' ' THR . 0.0 OUTLIER -122.44 172.19 8.52 Favored 'General case' 0 C--O 1.254 1.3 0 CA-C-O 120.941 0.4 . . . . 72.32 110.052 176.799 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 31' ' ' SER . . . . . 0.448 ' OG ' ' HB3' ' B' ' 41' ' ' ALA . 11.8 m -154.01 135.51 14.26 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-N 115.618 -0.719 . . . . 62.35 111.371 -171.287 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 32' ' ' ALA . . . . . 0.689 ' O ' ' HD3' ' B' ' 34' ' ' ARG . . . -58.0 157.58 15.56 Favored Pre-proline 0 C--O 1.224 -0.279 0 N-CA-C 109.276 -0.639 . . . . 75.13 109.276 175.262 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 33' ' ' PRO . . . . . 0.411 ' O ' ' N ' ' B' ' 35' ' ' GLU . 49.0 Cg_exo -58.24 4.93 0.09 OUTLIER 'Trans proline' 0 CA--C 1.543 0.936 0 C-N-CA 123.087 2.524 . . . . 72.21 116.014 -170.174 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 34' ' ' ARG . . . . . 0.689 ' HD3' ' O ' ' B' ' 32' ' ' ALA . 1.3 mpp_? 60.74 -69.25 0.04 OUTLIER 'General case' 0 N--CA 1.475 0.825 0 CA-C-N 118.625 0.648 . . . . 71.43 112.384 -175.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . 0.411 ' N ' ' O ' ' B' ' 33' ' ' PRO . 11.6 mm-40 -36.73 -37.82 0.15 Allowed 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 124.009 0.924 . . . . 72.42 112.541 179.119 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . 0.435 HD22 HD11 ' B' ' 85' ' ' ILE . 2.8 mp -101.34 -27.94 12.89 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.95 -0.568 . . . . 63.52 111.125 -173.152 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 154.39 56.5 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.659 -0.781 . . . . 51.22 113.097 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . 0.421 ' HA2' ' HB1' ' B' ' 32' ' ' ALA . . . -104.8 -140.39 10.37 Favored Glycine 0 N--CA 1.438 -1.23 0 N-CA-C 110.022 -1.231 . . . . 64.12 110.022 170.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -134.5 -23.89 1.61 Allowed 'General case' 0 C--N 1.311 -1.078 0 N-CA-C 112.029 0.381 . . . . 71.25 112.029 -177.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 40' ' ' GLY . . . . . 0.495 ' HA2' ' HG2' ' B' ' 34' ' ' ARG . . . 113.04 101.12 2.49 Favored Glycine 0 CA--C 1.51 -0.273 0 C-N-CA 120.092 -1.051 . . . . 53.13 111.956 -176.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . 0.448 ' HB3' ' OG ' ' B' ' 31' ' ' SER . . . -173.26 171.23 4.1 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-O 120.833 0.349 . . . . 75.21 110.988 -179.006 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -103.81 20.09 18.73 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.884 -0.598 . . . . 74.14 110.135 -178.73 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -77.94 -168.16 31.52 Favored Glycine 0 N--CA 1.451 -0.311 0 CA-C-N 115.207 -0.906 . . . . 72.12 112.699 -179.191 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 44' ' ' THR . . . . . 0.62 ' O ' ' HB2' ' B' ' 30' ' ' LEU . 14.5 p -104.41 140.47 37.87 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 110.161 -0.311 . . . . 70.51 110.161 -177.294 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 45' ' ' ASN . . . . . 0.403 ' HB2' ' OE2' ' B' ' 47' ' ' GLU . 0.0 OUTLIER -92.13 152.99 43.15 Favored Pre-proline 0 C--N 1.324 -0.524 0 N-CA-C 109.886 -0.413 . . . . 71.14 109.886 178.741 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 46' ' ' PRO . . . . . 0.729 ' HB3' ' SG ' ' A' ' 57' ' ' CYS . 97.0 Cg_exo -45.62 -60.72 0.75 Allowed 'Trans proline' 0 C--N 1.352 0.731 0 C-N-CA 123.757 2.971 . . . . 54.41 114.252 -172.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 47' ' ' GLU . . . . . 0.448 ' HB2' HG23 ' B' ' 83' ' ' VAL . 0.0 OUTLIER -63.95 -31.34 72.49 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.163 -0.472 . . . . 73.03 110.683 -174.475 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . 0.4 ' HB2' HD21 ' B' ' 45' ' ' ASN . 30.1 tt0 -65.64 -46.6 78.58 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.629 -0.714 . . . . 65.22 110.482 179.018 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 49' ' ' LEU . . . . . 0.502 HD11 ' HA3' ' A' ' 53' ' ' GLY . 1.6 tm? -66.12 -44.59 83.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.565 -0.743 . . . . 73.15 109.513 -178.442 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 31.3 t80 -63.92 -42.26 97.44 Favored 'General case' 0 C--O 1.223 -0.303 0 CA-C-N 115.904 -0.589 . . . . 74.53 111.247 179.108 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.1 -51.28 70.27 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 120.842 0.353 . . . . 63.22 110.905 178.013 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -58.27 -50.54 73.21 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 115.996 -0.547 . . . . 74.31 110.909 178.745 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . 0.456 ' HA3' HD12 ' A' ' 49' ' ' LEU . . . -61.21 -45.61 96.16 Favored Glycine 0 N--CA 1.447 -0.574 0 CA-C-N 115.723 -0.671 . . . . 73.22 112.296 179.775 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 54' ' ' TYR . . . . . 0.486 ' OH ' HG23 ' B' ' 128' ' ' THR . 1.8 t80 -59.81 -47.43 85.75 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 122.464 0.306 . . . . 73.43 110.62 -178.687 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 55' ' ' SER . . . . . 0.644 ' HB3' ' HB1' ' B' ' 81' ' ' ALA . 23.1 p -62.57 -50.31 71.79 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-O 120.753 0.311 . . . . 71.55 110.464 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 56' ' ' ALA . . . . . 0.437 ' HB1' ' HB2' ' A' ' 19' ' ' ALA . . . -58.96 -39.86 82.96 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 116.098 -0.501 . . . . 72.32 111.182 179.057 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 57' ' ' CYS . . . . . 0.598 ' SG ' ' HB3' ' A' ' 46' ' ' PRO . 74.2 m -70.6 -36.48 73.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.938 -0.574 . . . . 72.4 110.099 178.778 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 59.8 t80 -64.7 -34.24 77.84 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.0 -0.545 . . . . 61.11 110.055 -177.567 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -56.52 -46.13 80.74 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.162 -0.681 . . . . 73.31 109.162 176.495 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 60' ' ' SER . . . . . 0.509 ' HA ' ' HE3' ' B' ' 63' ' ' LYS . 7.6 t -78.29 -33.42 49.48 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 115.923 -0.581 . . . . 73.23 110.63 -178.682 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -64.0 -50.75 67.28 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.287 -0.415 . . . . 44.1 110.365 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 62' ' ' MET . . . . . 0.687 ' HG3' HD12 ' B' ' 73' ' ' LEU . 16.5 tpt -66.26 -27.42 67.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.88 -0.6 . . . . 71.0 109.913 177.504 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . 0.509 ' HE3' ' HA ' ' B' ' 60' ' ' SER . 21.3 ttpp -65.85 -35.12 79.77 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 115.87 -0.605 . . . . 72.03 110.186 174.304 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 52.0 t80 -73.5 -40.21 64.25 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 121.002 0.429 . . . . 73.11 109.857 173.159 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 48.0 t -55.9 -43.92 76.23 Favored 'Isoleucine or valine' 0 C--O 1.232 0.154 0 CA-C-N 115.88 -0.6 . . . . 75.05 110.333 177.206 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -55.77 -30.68 61.68 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.844 -0.617 . . . . 74.13 110.518 178.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -68.82 -36.64 82.61 Favored Glycine 0 N--CA 1.451 -0.339 0 CA-C-N 115.657 -0.701 . . . . 75.04 112.224 -179.015 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -92.25 -16.32 26.31 Favored 'General case' 0 CA--C 1.52 -0.176 0 CA-C-O 121.713 0.768 . . . . 64.5 109.303 -178.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -91.39 -3.16 57.0 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 114.916 -1.038 . . . . 65.21 110.552 178.219 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 61.35 30.19 18.92 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 115.905 -0.589 . . . . 73.12 111.488 176.473 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -122.81 169.46 11.08 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.792 -0.64 . . . . 74.24 110.234 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 36.8 p -123.5 143.36 50.22 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.254 -0.43 . . . . 74.12 110.155 177.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 73' ' ' LEU . . . . . 0.687 HD12 ' HG3' ' B' ' 62' ' ' MET . 96.3 mt -109.27 137.97 20.36 Favored Pre-proline 0 C--N 1.326 -0.431 0 CA-C-N 116.481 -0.327 . . . . 75.15 110.202 179.133 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 74' ' ' PRO . . . . . 0.632 ' HD2' HD12 ' B' ' 103' ' ' LEU . 27.5 Cg_exo -64.14 146.92 91.35 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.879 2.386 . . . . 74.32 112.573 178.651 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -73.55 -16.62 61.26 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.664 0.745 . . . . 71.53 111.202 178.372 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -89.66 15.24 9.9 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 114.813 -1.085 . . . . 60.22 111.302 -170.094 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 77' ' ' THR . . . . . 0.478 ' HB ' HD11 ' B' ' 103' ' ' LEU . 10.2 t -90.51 165.5 13.76 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-O 121.087 0.47 . . . . 73.25 112.139 -174.147 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 15.9 m -155.71 149.29 25.02 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 115.65 -0.705 . . . . 71.23 109.913 178.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 69.1 t -125.56 127.05 71.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 N-CA-C 109.383 -0.599 . . . . 54.24 109.383 174.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 5.9 m -108.06 108.24 19.25 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 120.915 0.388 . . . . 75.2 110.364 179.627 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 81' ' ' ALA . . . . . 0.644 ' HB1' ' HB3' ' B' ' 55' ' ' SER . . . -93.32 106.7 18.63 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.937 -0.574 . . . . 73.43 109.593 178.123 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 82' ' ' GLU . . . . . 0.454 ' HA ' ' HA ' ' A' ' 8' ' ' ALA . 30.4 tt0 -109.18 107.58 17.9 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 109.001 -0.741 . . . . 71.23 109.001 178.203 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . 0.615 HG21 HG22 ' B' ' 97' ' ' VAL . 9.4 p -103.45 142.72 16.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.921 -0.581 . . . . 71.44 110.654 -173.38 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 84' ' ' GLY . . . . . 0.404 ' HA2' ' HA ' ' A' ' 6' ' ' LYS . . . -137.26 166.8 24.9 Favored Glycine 0 N--CA 1.438 -1.23 0 N-CA-C 111.489 -0.644 . . . . 52.45 111.489 178.687 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 85' ' ' ILE . . . . . 0.435 HD11 HD22 ' B' ' 36' ' ' LEU . 0.0 OUTLIER -147.95 137.98 16.68 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.935 0 N-CA-C 109.338 -0.616 . . . . 73.1 109.338 -179.436 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 86' ' ' GLY . . . . . 0.438 ' HA2' ' HG ' ' A' ' 4' ' ' LEU . . . -151.0 169.84 30.74 Favored Glycine 0 CA--C 1.517 0.208 0 O-C-N 123.899 0.75 . . . . 52.3 111.376 -178.858 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 87' ' ' PRO . . . . . 0.667 ' HD3' ' HG ' ' A' ' 4' ' ' LEU . 1.1 Cg_endo -80.27 126.17 6.11 Favored 'Trans proline' 0 N--CA 1.457 -0.654 0 C-N-CA 122.642 2.228 . . . . 70.05 111.748 -176.535 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 88' ' ' ASN . . . . . . . . . . . . . 24.0 t-20 -83.29 144.98 29.35 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.186 -0.672 . . . . 72.3 109.186 173.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -62.03 -16.16 49.76 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.486 -0.325 . . . . 71.21 111.837 -175.596 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -67.76 -22.5 65.21 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-O 121.374 0.607 . . . . 74.05 110.775 177.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.49 35.49 3.31 Favored Glycine 0 N--CA 1.452 -0.273 0 CA-C-N 115.718 -0.673 . . . . 72.2 112.03 -177.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . -143.51 -171.09 13.57 Favored Glycine 0 N--CA 1.45 -0.392 0 N-CA-C 111.026 -0.83 . . . . 70.13 111.026 177.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 93' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -100.86 144.14 30.17 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 117.206 0.503 . . . . 73.12 110.49 177.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -126.7 132.09 51.23 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.929 -0.578 . . . . 62.21 109.659 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -96.81 132.82 42.15 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.165 -0.47 . . . . 74.21 110.692 -177.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 96' ' ' ASP . . . . . 0.508 ' HB2' ' SD ' ' A' ' 1' ' ' MET . 35.4 t70 -121.19 110.05 15.71 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.16 -0.927 . . . . 73.53 109.273 178.35 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 97' ' ' VAL . . . . . 0.677 ' HB ' HG21 ' B' ' 134' ' ' VAL . 45.3 t -108.65 110.53 32.39 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.962 0 C-N-CA 120.688 -0.405 . . . . 65.34 110.895 -176.613 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 98' ' ' GLU . . . . . 0.443 ' HG2' ' HD3' ' B' ' 135' ' ' ARG . 46.3 mt-10 -88.28 102.7 15.1 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.465 -0.568 . . . . 74.42 109.465 175.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 99' ' ' LEU . . . . . 0.408 ' HA ' HD12 ' B' ' 99' ' ' LEU . 13.5 tp -97.75 106.76 19.11 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.329 -0.619 . . . . 75.14 109.329 -179.09 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 100' ' ' ARG . . . . . 0.606 ' HA ' ' O ' ' B' ' 137' ' ' VAL . 74.3 mtt180 -101.47 117.54 35.15 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.451 -0.795 . . . . 70.24 111.024 -173.205 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 101' ' ' VAL . . . . . . . . . . . . . 88.5 t -102.58 107.56 22.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.886 -0.597 . . . . 60.12 110.867 -176.422 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 102' ' ' ALA . . . . . 0.42 ' HA ' ' HB3' ' B' ' 139' ' ' ALA . . . -103.59 101.52 11.39 Favored 'General case' 0 C--O 1.236 0.343 0 N-CA-C 109.756 -0.461 . . . . 53.32 109.756 176.377 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 103' ' ' LEU . . . . . 0.745 HD23 HD22 ' B' ' 106' ' ' LEU . 27.3 tp -119.34 118.19 32.64 Favored Pre-proline 0 C--N 1.327 -0.39 0 N-CA-C 109.634 -0.506 . . . . 72.24 109.634 -177.664 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 104' ' ' PRO . . . . . 0.501 ' HD2' HD11 ' B' ' 103' ' ' LEU . 60.6 Cg_endo -72.07 151.53 55.81 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.597 2.198 . . . . 74.24 112.043 -177.525 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 105' ' ' GLY . . . . . . . . . . . . . . . 72.11 15.04 76.48 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.863 -0.684 . . . . 72.34 111.971 -178.308 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 106' ' ' LEU . . . . . 0.745 HD22 HD23 ' B' ' 103' ' ' LEU . 34.2 tp -129.92 139.1 51.19 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.081 0.467 . . . . 65.44 111.33 -176.58 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -86.75 147.04 26.02 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.484 -0.78 . . . . 63.12 110.587 175.127 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -59.64 -37.56 79.01 Favored 'General case' 0 C--O 1.237 0.428 0 CA-C-N 116.29 -0.414 . . . . 74.55 111.111 -179.539 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -55.95 -51.68 66.82 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 115.896 -0.593 . . . . 64.51 110.934 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 110' ' ' ALA . . . . . 0.575 ' O ' HG23 ' B' ' 113' ' ' THR . . . -71.46 -35.76 70.96 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 115.949 -0.569 . . . . 72.03 110.477 177.678 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 111' ' ' ALA . . . . . 0.409 ' O ' HG23 ' B' ' 115' ' ' VAL . . . -54.73 -40.05 68.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.977 -0.556 . . . . 64.14 110.664 -179.875 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 112' ' ' LYS . . . . . . . . . . . . . 62.1 mttp -55.32 -39.61 70.18 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.156 -0.475 . . . . 74.45 111.46 178.567 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 113' ' ' THR . . . . . 0.575 HG23 ' O ' ' B' ' 110' ' ' ALA . 1.0 OUTLIER -79.77 -34.04 40.12 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 110.285 -0.265 . . . . 72.03 110.285 -178.67 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 114' ' ' LEU . . . . . 0.479 ' HA ' ' HD3' ' B' ' 117' ' ' ARG . 40.5 mt -65.93 -40.27 91.27 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-O 120.99 0.424 . . . . 72.05 110.494 179.059 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 115' ' ' VAL . . . . . 0.644 HG22 HG12 ' B' ' 138' ' ' VAL . 95.4 t -68.62 -32.64 55.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.868 -0.606 . . . . 63.55 110.416 177.808 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -65.04 -59.78 3.76 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 116.112 -0.495 . . . . 75.43 110.41 177.515 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 117' ' ' ARG . . . . . 0.479 ' HD3' ' HA ' ' B' ' 114' ' ' LEU . 8.8 ptm180 -58.06 -38.8 77.01 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 115.893 -0.594 . . . . 70.2 110.507 -179.275 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -59.71 -45.74 91.2 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.827 -0.624 . . . . 61.11 110.388 174.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 49.8 m80 -80.94 13.81 2.52 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 116.009 -0.542 . . . . 74.31 111.686 177.111 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 45.4 t-80 -104.37 -38.72 6.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.812 0.339 . . . . 73.32 110.973 176.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 29.5 m -88.03 -42.4 14.94 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.479 0 N-CA-C 112.792 0.664 . . . . 73.14 112.792 -173.736 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 122' ' ' CYS . . . . . . . . . . . . . 58.5 m -82.44 134.95 47.33 Favored Pre-proline 0 CA--C 1.537 0.45 0 O-C-N 122.279 -0.263 . . . . 74.53 111.31 -174.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 123' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_exo -53.44 -58.05 1.63 Allowed 'Trans proline' 0 C--N 1.355 0.896 0 C-N-CA 123.257 2.638 . . . . 65.25 113.147 -179.22 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 124' ' ' TYR . . . . . 0.474 ' O ' ' HB ' ' B' ' 128' ' ' THR . 6.7 m-85 . . . . . 0 N--CA 1.471 0.586 0 CA-C-O 120.956 0.408 . . . . 65.35 110.898 -178.481 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 128' ' ' THR . . . . . 0.486 HG23 ' OH ' ' B' ' 54' ' ' TYR . 1.9 t . . . . . 0 C--O 1.226 -0.181 0 N-CA-C 109.21 -0.663 . . . . 64.4 109.21 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 129' ' ' ARG . . . . . 0.439 ' HG3' ' N ' ' B' ' 130' ' ' ASN . 23.5 ptt180 -106.58 -47.93 3.65 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 115.758 -0.656 . . . . 75.21 109.981 -177.577 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 130' ' ' ASN . . . . . 0.439 ' N ' ' HG3' ' B' ' 129' ' ' ARG . 86.2 m-20 -78.87 -18.93 53.12 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.287 -0.87 . . . . 74.14 111.742 -177.515 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 131' ' ' ASN . . . . . 0.423 HD22 ' HB2' ' A' ' 126' ' ' ASN . 13.7 t-20 -113.92 -38.49 4.2 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.15 -0.477 . . . . 75.43 110.812 -177.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 132' ' ' VAL . . . . . 0.513 HG12 ' H ' ' B' ' 133' ' ' ALA . 14.5 t -114.91 170.8 4.86 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.341 0 CA-C-N 115.929 -0.578 . . . . 62.31 109.74 -175.354 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 133' ' ' ALA . . . . . 0.513 ' H ' HG12 ' B' ' 132' ' ' VAL . . . -97.61 88.92 4.48 Favored 'General case' 0 C--O 1.243 0.717 0 CA-C-O 121.828 0.823 . . . . 72.23 111.613 -177.21 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 134' ' ' VAL . . . . . 0.677 HG21 ' HB ' ' B' ' 97' ' ' VAL . 77.7 t -117.56 114.51 45.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 114.979 -1.01 . . . . 64.53 110.871 177.818 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 135' ' ' ARG . . . . . 0.443 ' HD3' ' HG2' ' B' ' 98' ' ' GLU . 74.8 ttt180 -72.49 100.0 2.62 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.136 -0.938 . . . . 74.32 109.163 173.707 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 78.8 mt -76.65 107.24 8.8 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.15 -0.477 . . . . 72.41 109.922 176.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 137' ' ' VAL . . . . . 0.606 ' O ' ' HA ' ' B' ' 100' ' ' ARG . 0.2 OUTLIER -122.83 118.24 54.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.455 -0.793 . . . . 74.23 110.343 -174.713 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 138' ' ' VAL . . . . . 0.644 HG12 HG22 ' B' ' 115' ' ' VAL . 3.1 m -99.62 138.54 23.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 115.533 -0.758 . . . . 70.52 110.747 -176.398 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 139' ' ' ALA . . . . . 0.42 ' HB3' ' HA ' ' B' ' 102' ' ' ALA . . . . . . . . 0 C--O 1.253 1.288 0 CA-C-O 118.551 -0.738 . . . . 71.35 110.45 -177.087 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.427 ' HE1' ' HB2' ' B' ' 94' ' ' ALA . 20.1 ptt? . . . . . 0 N--CA 1.486 1.344 0 N-CA-C 110.547 -0.168 . . . . 71.43 110.547 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 45.6 t30 -71.73 77.65 0.85 Allowed 'General case' 0 C--O 1.234 0.244 0 CA-C-O 121.298 0.571 . . . . 75.52 110.384 175.566 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.516 HG23 ' HB2' ' A' ' 6' ' ' LYS . 26.6 mm -71.29 136.37 25.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 115.339 -0.846 . . . . 51.02 111.103 174.473 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.688 ' HG ' ' HD3' ' B' ' 87' ' ' PRO . 86.5 mt -84.08 -46.78 11.61 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.044 -0.526 . . . . 74.21 109.799 175.526 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 34.1 t80 -137.34 128.22 27.32 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 116.059 -0.519 . . . . 73.42 110.296 -178.553 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.516 ' HB2' HG23 ' A' ' 3' ' ' ILE . 29.4 ttmt -136.02 142.09 44.41 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.222 0.534 . . . . 62.42 111.075 179.289 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.4 HG21 ' HB2' ' B' ' 48' ' ' GLN . 9.5 t -142.79 139.72 31.08 Favored 'General case' 0 C--O 1.238 0.458 0 CA-C-N 115.639 -0.709 . . . . 73.02 109.524 -178.471 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.512 ' HA ' ' HA ' ' B' ' 82' ' ' GLU . . . -110.63 147.76 33.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.925 0.393 . . . . 64.34 111.554 -174.58 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.729 ' HA ' ' HA ' ' A' ' 21' ' ' SER . . . -143.84 121.16 11.59 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 115.89 -0.596 . . . . 73.03 110.375 177.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.477 ' HA ' ' HA ' ' B' ' 80' ' ' THR . 13.5 t -99.92 130.07 46.06 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 116.091 -0.504 . . . . 73.43 109.927 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 52.6 p -117.47 113.45 22.06 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.955 -0.566 . . . . 74.42 110.006 179.443 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.6 m -97.11 163.47 12.92 Favored 'General case' 0 C--O 1.239 0.518 0 CA-C-N 115.998 -0.546 . . . . 72.12 111.377 -175.376 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.51 ' HA2' HD22 ' B' ' 59' ' ' LEU . . . -78.79 74.02 2.2 Favored Glycine 0 N--CA 1.449 -0.488 0 CA-C-N 115.893 -0.594 . . . . 62.44 112.065 175.114 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -68.47 -147.0 0.16 Allowed Glycine 0 CA--C 1.524 0.622 0 C-N-CA 121.153 -0.546 . . . . 62.02 112.089 172.744 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 17.7 tpp180 -62.06 -52.08 65.37 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 117.085 0.442 . . . . 73.04 110.289 177.692 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.536 ' HB3' ' HA ' ' A' ' 31' ' ' SER . 10.1 t0 -124.8 -42.86 2.03 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 108.62 -0.881 . . . . 74.22 108.62 177.877 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -164.81 152.76 22.58 Favored Glycine 0 C--N 1.339 0.744 0 C-N-CA 120.389 -0.91 . . . . 73.12 112.485 163.202 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.446 ' HD3' ' HB2' ' A' ' 29' ' ' LYS . 22.8 tpp180 -116.52 149.94 38.75 Favored 'General case' 0 N--CA 1.465 0.313 0 N-CA-C 109.076 -0.713 . . . . 73.24 109.076 175.007 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -146.88 123.83 11.35 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 120.747 0.308 . . . . 71.12 110.367 177.149 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 86.5 m -145.84 110.56 5.14 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.451 -0.341 . . . . 65.23 110.531 -176.542 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.729 ' HA ' ' HA ' ' A' ' 9' ' ' ALA . 30.7 t -71.1 112.07 6.95 Favored 'General case' 0 C--O 1.246 0.892 0 N-CA-C 107.642 -1.244 . . . . 62.3 107.642 177.62 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.415 ' C ' ' H ' ' A' ' 24' ' ' GLN . 66.9 t60 -63.77 -9.9 16.98 Favored 'General case' 0 N--CA 1.469 0.49 0 O-C-N 125.779 1.924 . . . . 71.44 111.992 -165.881 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.456 ' HB2' ' HE3' ' A' ' 25' ' ' LYS . 38.2 m-20 -80.26 12.64 2.78 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.264 -0.643 . . . . 73.43 109.264 172.793 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.415 ' H ' ' C ' ' A' ' 22' ' ' HIS . 33.5 mm-40 67.56 14.5 9.59 Favored 'General case' 0 C--N 1.34 0.152 0 CA-C-N 115.352 -0.84 . . . . 72.53 110.634 178.502 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.456 ' HE3' ' HB2' ' A' ' 23' ' ' ASP . 17.7 ptpt -92.71 -12.32 31.73 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 116.104 -0.498 . . . . 73.44 111.17 -177.846 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.448 ' HB3' ' CB ' ' A' ' 21' ' ' SER . 58.0 tp -146.64 139.57 25.37 Favored 'General case' 0 CA--C 1.505 -0.759 0 C-N-CA 119.595 -0.842 . . . . 74.42 111.247 173.654 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -153.02 91.66 1.56 Allowed 'General case' 0 N--CA 1.445 -0.678 0 CA-C-N 114.968 -1.015 . . . . 74.5 110.23 -178.571 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 3.3 m -145.72 178.43 1.31 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.207 0 CA-C-O 121.683 0.754 . . . . 62.12 111.523 179.044 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.446 ' HB2' ' HD3' ' A' ' 18' ' ' ARG . 1.3 tmtt? -139.89 143.22 36.57 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 114.792 -1.095 . . . . 62.42 108.837 177.621 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.509 ' HB2' ' O ' ' A' ' 44' ' ' THR . 0.0 OUTLIER -126.26 175.43 7.81 Favored 'General case' 0 C--O 1.251 1.138 0 CA-C-O 121.35 0.595 . . . . 73.21 111.522 -175.038 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.536 ' HA ' ' HB3' ' A' ' 16' ' ' ASP . 35.9 t -151.74 126.32 9.5 Favored 'General case' 0 N--CA 1.446 -0.645 0 CA-C-N 114.765 -1.107 . . . . 75.34 111.033 -176.163 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.632 ' HA ' ' HD2' ' A' ' 46' ' ' PRO . . . -61.23 142.27 93.55 Favored Pre-proline 0 N--CA 1.449 -0.5 0 N-CA-C 109.181 -0.674 . . . . 52.21 109.181 170.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 30.7 Cg_endo -62.28 93.74 0.13 Allowed 'Trans proline' 0 N--CA 1.459 -0.552 0 C-N-CA 121.741 1.627 . . . . 73.33 110.22 -178.107 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.495 ' HG3' ' N ' ' A' ' 40' ' ' GLY . 2.3 tmt_? -69.77 77.3 0.45 Allowed 'General case' 0 N--CA 1.455 -0.184 0 CA-C-O 122.005 0.907 . . . . 64.52 110.474 -173.172 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -136.59 -35.45 0.73 Allowed 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 113.958 -1.473 . . . . 75.14 108.539 175.47 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.4 mp -106.46 -52.97 2.7 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 115.143 -0.935 . . . . 73.53 110.144 -176.562 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -169.1 61.88 0.19 Allowed Glycine 0 C--N 1.337 0.595 0 C-N-CA 120.476 -0.869 . . . . 72.22 113.609 177.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -110.26 -140.24 8.52 Favored Glycine 0 C--N 1.336 0.583 0 N-CA-C 111.324 -0.711 . . . . 73.44 111.324 173.391 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -133.45 -22.72 1.93 Allowed 'General case' 0 N--CA 1.472 0.628 0 N-CA-C 111.99 0.367 . . . . 63.22 111.99 -176.245 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.495 ' N ' ' HG3' ' A' ' 34' ' ' ARG . . . 95.26 100.47 1.79 Allowed Glycine 0 C--N 1.332 0.324 0 C-N-CA 121.317 -0.468 . . . . 45.53 113.276 178.225 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.499 ' HB1' ' HB2' ' A' ' 31' ' ' SER . . . -168.07 168.98 11.5 Favored 'General case' 0 C--O 1.234 0.269 0 C-N-CA 122.56 0.344 . . . . 51.12 110.108 174.745 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -95.82 98.38 10.39 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.924 0.869 . . . . 71.23 109.171 172.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -156.82 -167.31 17.81 Favored Glycine 0 C--N 1.311 -0.852 0 CA-C-N 114.819 -1.082 . . . . 55.55 111.759 177.474 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.509 ' O ' ' HB2' ' A' ' 30' ' ' LEU . 20.6 p -91.27 146.64 23.65 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 110.126 -0.324 . . . . 74.01 110.126 -179.003 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 11.1 m120 -82.82 126.39 73.1 Favored Pre-proline 0 C--N 1.327 -0.398 0 N-CA-C 109.545 -0.539 . . . . 72.33 109.545 -177.641 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.632 ' HD2' ' HA ' ' A' ' 32' ' ' ALA . 9.6 Cg_endo -50.57 -44.4 40.28 Favored 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 123.209 2.606 . . . . 63.04 112.985 -176.884 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -60.57 -48.78 80.25 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-O 121.76 0.791 . . . . 62.13 109.187 179.174 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.561 ' OE1' HG22 ' B' ' 7' ' ' THR . 13.9 tp60 -68.05 -30.61 69.86 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 114.752 -1.113 . . . . 74.41 110.791 -179.258 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.504 HD11 ' HA3' ' B' ' 53' ' ' GLY . 2.5 tm? -66.48 -46.63 75.66 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.951 -0.759 . . . . 71.11 108.951 -178.439 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 18.4 t80 -60.96 -49.51 77.15 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.081 -0.509 . . . . 65.21 109.952 173.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.402 ' HB2' ' NE2' ' A' ' 48' ' ' GLN . . . -54.73 -41.97 71.01 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 115.987 -0.551 . . . . 52.03 111.077 178.875 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -71.33 -48.37 50.78 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 116.298 -0.41 . . . . 73.32 110.818 -178.251 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.503 ' HA3' HD11 ' B' ' 49' ' ' LEU . . . -60.71 -39.85 97.23 Favored Glycine 0 N--CA 1.451 -0.326 0 CA-C-N 115.896 -0.593 . . . . 45.35 111.996 179.715 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -72.03 -40.48 68.41 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 110.013 -0.366 . . . . 74.55 110.013 178.327 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 11.6 t -58.86 -40.05 83.16 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.138 0.494 . . . . 73.1 109.701 178.388 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.498 ' HB3' HD23 ' B' ' 30' ' ' LEU . . . -75.41 -41.2 56.63 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 115.762 -0.654 . . . . 72.41 110.664 177.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 40.1 t -58.64 -36.44 74.12 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.965 -0.561 . . . . 74.4 110.077 177.431 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 23.2 t80 -59.86 -36.69 77.39 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.839 -0.618 . . . . 74.24 110.204 -178.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 95.2 mt -64.03 -45.25 89.72 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.818 -0.628 . . . . 74.12 109.982 176.299 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.46 ' O ' ' HB3' ' A' ' 63' ' ' LYS . 9.2 t -67.33 -33.53 75.45 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-N 115.872 -0.604 . . . . 74.4 110.298 -179.703 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.44 -51.06 62.87 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.115 -0.493 . . . . 64.15 109.99 177.036 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.9 -32.17 73.39 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.254 -0.43 . . . . 61.32 110.619 177.108 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.46 ' HB3' ' O ' ' A' ' 60' ' ' SER . 40.2 tttp -58.36 -51.99 67.48 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.799 -0.637 . . . . 62.32 109.996 174.74 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 54.7 t80 -69.83 -42.92 72.99 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 115.73 -0.668 . . . . 70.35 110.921 -177.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 54.6 t -56.97 -52.08 60.36 Favored 'Isoleucine or valine' 0 C--O 1.233 0.196 0 CA-C-O 120.781 0.324 . . . . 51.41 110.194 178.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -57.95 -34.97 70.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.283 0.563 . . . . 55.45 109.639 177.338 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -68.47 -31.06 73.41 Favored Glycine 0 N--CA 1.451 -0.324 0 CA-C-N 114.907 -1.042 . . . . 65.01 112.251 -177.368 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -95.42 -15.23 23.15 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.192 -0.669 . . . . 73.33 109.192 -179.747 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -94.3 2.0 55.88 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 115.081 -0.963 . . . . 73.35 110.51 176.408 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.453 ' N ' ' HD3' ' A' ' 70' ' ' LYS . 19.6 mmtm 64.66 23.11 12.74 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.41 -0.814 . . . . 70.5 110.863 171.682 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -117.75 165.89 13.09 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.239 -0.892 . . . . 65.11 109.511 178.687 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 15.6 p -126.72 141.41 51.85 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 116.434 -0.348 . . . . 71.13 110.291 176.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.506 HD22 HD21 ' A' ' 103' ' ' LEU . 89.5 mt -107.85 144.07 28.59 Favored Pre-proline 0 C--N 1.324 -0.526 0 CA-C-N 115.953 -0.567 . . . . 64.52 109.542 179.558 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . 0.403 ' O ' HG23 ' A' ' 77' ' ' THR . 52.8 Cg_exo -56.5 134.31 63.55 Favored 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 122.738 2.292 . . . . 75.32 112.214 -179.35 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -76.98 -1.47 28.93 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-O 121.322 0.582 . . . . 74.43 110.936 179.384 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -85.55 2.61 44.18 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.458 -0.792 . . . . 72.44 110.689 179.16 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.496 ' HB ' HD13 ' A' ' 103' ' ' LEU . 10.3 t -77.52 160.68 28.46 Favored 'General case' 0 C--O 1.238 0.48 0 CA-C-N 115.574 -0.739 . . . . 74.0 111.919 -175.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 32.3 m -154.93 149.42 26.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.71 -0.677 . . . . 72.13 110.13 179.291 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 97.5 t -127.33 140.24 49.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 N-CA-C 108.687 -0.857 . . . . 73.54 108.687 176.526 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 60.6 m -128.6 114.65 16.96 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.784 0.325 . . . . 61.0 110.829 -178.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -94.57 104.59 16.54 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.038 -0.528 . . . . 75.0 110.048 177.003 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.512 ' HB3' ' HB3' ' A' ' 98' ' ' GLU . 42.3 tt0 -101.31 107.75 19.2 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.674 -0.693 . . . . 75.53 109.426 179.272 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.531 HG22 HG22 ' A' ' 97' ' ' VAL . 8.0 p -107.98 139.77 28.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 121.076 0.465 . . . . 74.25 111.465 -171.623 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -134.73 157.32 22.92 Favored Glycine 0 N--CA 1.446 -0.689 0 N-CA-C 111.338 -0.705 . . . . 64.22 111.338 176.01 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.405 HD13 ' CD2' ' A' ' 93' ' ' PHE . 0.0 OUTLIER -136.22 132.66 49.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 N-CA-C 109.505 -0.554 . . . . 71.32 109.505 -179.522 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . 0.511 ' HA2' ' HG ' ' B' ' 4' ' ' LEU . . . -145.77 170.0 27.11 Favored Glycine 0 C--N 1.333 0.405 0 O-C-N 123.926 0.766 . . . . 64.2 111.309 -176.175 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . 0.64 ' HD3' ' HG ' ' B' ' 4' ' ' LEU . 1.1 Cg_endo -79.86 128.9 7.81 Favored 'Trans proline' 0 N--CA 1.46 -0.45 0 C-N-CA 122.824 2.349 . . . . 75.13 111.999 -177.327 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . 0.502 ' HB2' ' HB3' ' A' ' 94' ' ' ALA . 51.5 t30 -79.52 147.94 32.0 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 109.551 -0.536 . . . . 63.43 109.551 174.662 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -62.8 -9.55 9.85 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.066 0.46 . . . . 74.31 111.775 -177.531 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -75.84 -21.1 57.59 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.961 -0.563 . . . . 62.35 111.267 177.284 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.2 23.09 8.27 Favored Glycine 0 CA--C 1.516 0.135 0 N-CA-C 111.601 -0.6 . . . . 52.42 111.601 -176.169 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -131.51 -159.0 9.32 Favored Glycine 0 N--CA 1.451 -0.338 0 N-CA-C 111.02 -0.832 . . . . 74.12 111.02 178.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.405 ' CD2' HD13 ' A' ' 85' ' ' ILE . 59.3 m-85 -104.75 155.47 18.86 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 117.068 0.434 . . . . 72.25 110.7 179.254 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . 0.502 ' HB3' ' HB2' ' A' ' 88' ' ' ASN . . . -142.46 141.59 32.19 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.499 -0.773 . . . . 73.43 109.495 179.831 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -102.32 146.87 27.41 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.069 0.462 . . . . 75.45 110.931 -178.333 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -134.9 110.33 9.07 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 108.205 -1.035 . . . . 62.1 108.205 176.085 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.827 ' HB ' HG23 ' A' ' 134' ' ' VAL . 45.5 t -112.14 110.64 32.94 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-O 121.057 0.456 . . . . 41.42 111.102 -177.133 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.512 ' HB3' ' HB3' ' A' ' 82' ' ' GLU . 32.3 tp10 -85.52 98.02 10.38 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 108.43 -0.952 . . . . 52.25 108.43 175.794 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 23.7 tp -96.63 107.04 19.41 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-O 121.07 0.462 . . . . 73.33 110.099 -176.797 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . 0.513 ' HA ' HG12 ' A' ' 137' ' ' VAL . 20.0 ttt85 -100.34 119.96 39.22 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.123 -0.944 . . . . 73.43 110.581 -172.664 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 46.8 t -111.16 102.18 13.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 N-CA-C 110.393 -0.225 . . . . 72.23 110.393 -176.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -98.9 101.63 13.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.799 0.333 . . . . 73.1 110.537 -179.197 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.85 HD22 HD22 ' A' ' 106' ' ' LEU . 36.1 tp -116.77 118.96 36.12 Favored Pre-proline 0 C--N 1.328 -0.346 0 N-CA-C 108.936 -0.765 . . . . 73.31 108.936 177.617 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . 0.517 ' HD2' HD13 ' A' ' 103' ' ' LEU . 66.0 Cg_endo -75.21 152.13 39.44 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.605 2.203 . . . . 73.52 112.473 -175.847 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 70.91 15.2 73.83 Favored Glycine 0 CA--C 1.521 0.432 0 CA-C-N 115.795 -0.639 . . . . 54.45 112.335 -179.063 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.85 HD22 HD22 ' A' ' 103' ' ' LEU . 31.8 tp -119.02 144.28 46.61 Favored 'General case' 0 C--O 1.236 0.377 0 C-N-CA 122.956 0.502 . . . . 65.03 111.165 -174.784 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -77.81 162.01 27.22 Favored 'General case' 0 CA--C 1.513 -0.47 0 CA-C-N 116.182 -0.463 . . . . 72.42 110.269 176.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . 0.509 ' O ' ' HG2' ' A' ' 112' ' ' LYS . . . -65.94 -45.7 80.84 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 115.269 -0.878 . . . . 74.35 109.981 170.04 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -62.92 -49.54 74.39 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 115.658 -0.701 . . . . 64.13 110.715 -177.052 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . 0.547 ' O ' HG21 ' A' ' 113' ' ' THR . . . -65.06 -41.87 94.73 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.654 -0.703 . . . . 73.25 109.724 179.461 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . 0.462 ' HA ' HD23 ' A' ' 106' ' ' LEU . . . -54.77 -45.99 74.33 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.842 -0.617 . . . . 54.13 111.008 176.465 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . 0.509 ' HG2' ' O ' ' A' ' 108' ' ' ALA . 32.5 mmtp -51.99 -38.09 55.49 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 115.794 -0.639 . . . . 74.23 111.324 178.837 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' THR . . . . . 0.547 HG21 ' O ' ' A' ' 110' ' ' ALA . 0.7 OUTLIER -82.07 -35.42 28.7 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 121.162 -0.215 . . . . 74.22 110.957 -177.787 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.488 ' HG ' ' O ' ' A' ' 110' ' ' ALA . 44.2 mt -63.16 -50.83 68.85 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 121.122 0.486 . . . . 61.01 109.979 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . 0.511 HG22 HG11 ' A' ' 138' ' ' VAL . 58.6 t -61.97 -32.82 55.47 Favored 'Isoleucine or valine' 0 C--O 1.238 0.488 0 CA-C-N 115.518 -0.764 . . . . 72.22 110.353 179.013 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -65.99 -60.69 2.59 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 115.967 -0.56 . . . . 65.51 110.891 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . 0.515 ' HG2' ' O ' ' A' ' 113' ' ' THR . 12.6 ptm180 -60.04 -38.35 82.47 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 116.395 -0.366 . . . . 65.24 110.129 -177.17 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -57.05 -49.99 74.14 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.874 -0.603 . . . . 63.41 110.075 175.445 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . 0.692 ' HB3' ' HD2' ' A' ' 129' ' ' ARG . 46.5 m80 -74.95 4.38 6.66 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.127 -0.488 . . . . 74.13 111.961 177.713 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 23.1 t-80 -108.5 -32.83 7.25 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.817 -0.174 . . . . 75.14 111.329 179.431 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . 0.41 HG21 ' O ' ' A' ' 117' ' ' ARG . 29.2 m -104.72 -19.68 6.24 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.535 0 N-CA-C 113.068 0.766 . . . . 74.54 113.068 -173.325 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' CYS . . . . . 0.517 ' HB2' ' HB2' ' A' ' 125' ' ' SER . 78.7 m -81.29 140.85 49.09 Favored Pre-proline 0 CA--C 1.54 0.578 0 O-C-N 122.319 -0.238 . . . . 72.12 111.33 -177.187 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 6.7 Cg_endo -46.87 -61.79 0.55 Allowed 'Trans proline' 0 C--N 1.358 1.049 0 C-N-CA 124.213 3.275 . . . . 75.04 114.028 -170.05 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -113.05 47.46 1.11 Allowed 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 121.716 0.77 . . . . 65.44 110.581 -179.814 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' SER . . . . . 0.558 ' O ' HG21 ' A' ' 128' ' ' THR . 68.5 m -115.05 -28.52 6.97 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.192 -0.913 . . . . 65.33 110.327 173.59 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 31.6 p-10 -72.21 -32.52 66.84 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 108.969 -0.752 . . . . 73.42 108.969 173.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . 0.511 ' O ' ' HB3' ' A' ' 131' ' ' ASN . . . -63.35 -17.33 62.48 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.003 -0.999 . . . . 54.1 112.047 177.848 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' THR . . . . . 0.558 HG21 ' O ' ' A' ' 125' ' ' SER . 1.0 OUTLIER -97.27 -11.84 23.65 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.268 -0.642 . . . . 73.21 109.268 -171.012 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . 0.692 ' HD2' ' HB3' ' A' ' 119' ' ' HIS . 15.4 ptm180 -114.06 -47.67 2.94 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.441 -0.8 . . . . 72.04 110.267 -176.663 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 83.6 m-20 -78.84 -26.03 44.1 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.55 -0.75 . . . . 71.52 111.505 -178.171 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 131' ' ' ASN . . . . . 0.511 ' HB3' ' O ' ' A' ' 127' ' ' ALA . 0.2 OUTLIER -115.31 -32.18 5.72 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 115.726 -0.67 . . . . 72.12 110.856 -173.136 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . 0.482 ' HB ' ' HA ' ' A' ' 128' ' ' THR . 65.5 t -116.85 154.43 18.49 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.392 0 CA-C-N 116.374 -0.375 . . . . 70.22 110.358 -175.861 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -87.26 95.21 9.9 Favored 'General case' 0 C--O 1.24 0.594 0 CA-C-O 121.733 0.778 . . . . 45.42 111.534 -178.54 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . 0.827 HG23 ' HB ' ' A' ' 97' ' ' VAL . 69.9 t -125.33 119.9 56.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.096 -0.957 . . . . 75.02 110.845 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 4.6 tpp180 -78.84 111.55 15.1 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.274 -0.639 . . . . 74.34 109.274 173.597 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . 0.433 ' HA ' HD22 ' A' ' 136' ' ' LEU . 75.7 mt -83.52 101.44 11.43 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.522 0.677 . . . . 50.04 110.71 178.439 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . 0.513 HG12 ' HA ' ' A' ' 100' ' ' ARG . 0.2 OUTLIER -110.29 114.58 47.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 114.816 -1.084 . . . . 74.42 110.081 -177.826 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . 0.511 HG11 HG22 ' A' ' 115' ' ' VAL . 3.2 m -93.69 138.83 19.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 115.607 -0.724 . . . . 71.15 109.852 -178.871 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.315 -0.902 0 CA-C-N 115.656 -0.702 . . . . 73.13 110.74 -176.16 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 19.4 ptt? . . . . . 0 C--O 1.236 0.361 0 CA-C-O 120.894 0.378 . . . . 72.42 110.859 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 44.0 t30 -75.64 72.23 2.58 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.418 0.628 . . . . 61.35 110.537 177.165 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . 0.495 HG21 ' HB2' ' B' ' 6' ' ' LYS . 31.9 mm -67.97 133.01 32.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.583 -0.735 . . . . 72.42 111.492 175.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . 0.64 ' HG ' ' HD3' ' A' ' 87' ' ' PRO . 86.6 mt -87.57 -49.76 6.97 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.584 -0.735 . . . . 75.25 109.849 174.377 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 5' ' ' TYR . . . . . . . . . . . . . 16.9 t80 -132.11 131.09 42.01 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.875 -0.602 . . . . 75.45 109.699 -178.004 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . 0.495 ' HB2' HG21 ' B' ' 3' ' ' ILE . 38.0 ttmt -135.85 149.57 49.09 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.056 0.455 . . . . 65.01 110.95 176.535 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 7' ' ' THR . . . . . 0.561 HG22 ' OE1' ' A' ' 48' ' ' GLN . 8.5 t -154.57 168.07 27.99 Favored 'General case' 0 CA--C 1.536 0.424 0 N-CA-C 108.636 -0.875 . . . . 73.02 108.636 178.352 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . 0.44 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . . . -136.24 150.84 49.15 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-O 121.14 0.495 . . . . 64.22 111.828 -174.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . 0.547 ' HA ' ' H ' ' B' ' 22' ' ' HIS . . . -136.44 125.21 23.94 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.986 -0.552 . . . . 71.2 110.483 175.453 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 61.3 m -105.85 116.26 31.64 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.543 -0.753 . . . . 64.31 110.221 -178.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 74.0 p -104.42 113.38 26.9 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 110.109 -0.33 . . . . 74.14 110.109 175.37 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 8.1 m -98.51 160.52 14.22 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.414 -0.357 . . . . 73.24 110.557 179.787 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -77.95 75.93 1.82 Allowed Glycine 0 N--CA 1.443 -0.835 0 C-N-CA 120.883 -0.675 . . . . 71.12 111.587 173.571 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -61.13 -107.53 0.01 OUTLIER Glycine 0 C--N 1.334 0.436 0 C-N-CA 121.355 -0.45 . . . . 73.4 112.122 174.075 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . 0.421 ' HD2' ' HA ' ' B' ' 15' ' ' ARG . 14.2 tpt180 -86.16 -54.53 4.41 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 117.332 0.566 . . . . 65.14 109.568 174.194 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -125.55 -42.86 1.92 Allowed 'General case' 0 N--CA 1.463 0.216 0 N-CA-C 109.231 -0.655 . . . . 65.33 109.231 171.646 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -153.61 146.47 14.82 Favored Glycine 0 C--N 1.336 0.566 0 N-CA-C 111.01 -0.836 . . . . 74.22 111.01 165.347 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 18' ' ' ARG . . . . . 0.456 ' HA ' ' HA ' ' B' ' 29' ' ' LYS . 0.9 OUTLIER -136.32 105.08 5.84 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 108.999 -0.741 . . . . 74.4 108.999 179.513 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -98.52 123.96 42.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.3 -0.409 . . . . 64.31 110.23 -174.427 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 22.6 m -130.27 114.58 15.82 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.242 -0.435 . . . . 75.11 111.015 -177.163 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 21' ' ' SER . . . . . 0.511 ' HB3' ' N ' ' B' ' 26' ' ' LEU . 34.7 t -66.48 108.04 2.26 Favored 'General case' 0 C--O 1.244 0.813 0 N-CA-C 106.781 -1.563 . . . . 74.21 106.781 174.181 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 22' ' ' HIS . . . . . 0.547 ' H ' ' HA ' ' B' ' 9' ' ' ALA . 51.1 t-80 -55.61 -21.31 17.04 Favored 'General case' 0 N--CA 1.467 0.393 0 O-C-N 125.679 1.862 . . . . 73.12 112.983 -162.419 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . 0.511 ' HB2' ' HE2' ' B' ' 25' ' ' LYS . 1.7 m-20 -80.28 19.48 0.75 Allowed 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 110.058 -0.349 . . . . 63.54 110.058 178.527 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 24' ' ' GLN . . . . . 0.432 ' H ' ' C ' ' B' ' 22' ' ' HIS . 30.4 mm-40 62.75 23.15 13.8 Favored 'General case' 0 C--O 1.231 0.122 0 CA-C-N 115.977 -0.556 . . . . 71.43 109.884 -178.112 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . 0.511 ' HE2' ' HB2' ' B' ' 23' ' ' ASP . 51.9 mtmt -86.93 -25.71 24.24 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 115.498 -0.774 . . . . 41.25 110.756 -179.603 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . 0.511 ' N ' ' HB3' ' B' ' 21' ' ' SER . 48.0 tp -149.33 147.76 28.71 Favored 'General case' 0 CA--C 1.508 -0.647 0 C-N-CA 120.66 -0.416 . . . . 73.34 110.976 177.766 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 13.1 p-10 -158.85 90.85 1.01 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.5 -0.773 . . . . 53.33 110.302 -177.566 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 8.1 m -141.17 176.32 4.73 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.466 0 CA-C-O 121.573 0.701 . . . . 74.12 112.19 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . 0.753 ' HB3' ' HZ3' ' B' ' 29' ' ' LYS . 4.0 ttpm? -125.82 142.98 51.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 114.671 -1.15 . . . . 74.12 110.689 -177.474 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . 0.772 ' HA ' ' H ' ' B' ' 44' ' ' THR . 0.0 OUTLIER -130.66 166.76 20.01 Favored 'General case' 0 C--O 1.248 1.0 0 CA-C-N 116.057 -0.519 . . . . 72.32 110.134 174.183 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 31' ' ' SER . . . . . 0.505 ' OG ' ' HB2' ' B' ' 41' ' ' ALA . 34.1 m -150.73 149.6 30.0 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 115.801 -0.636 . . . . 62.35 111.204 -178.637 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 32' ' ' ALA . . . . . 0.443 ' HB2' ' HG ' ' A' ' 60' ' ' SER . . . -75.74 140.63 71.31 Favored Pre-proline 0 C--O 1.239 0.551 0 CA-C-N 115.784 -0.644 . . . . 75.13 110.868 177.503 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 33' ' ' PRO . . . . . 0.453 ' HG3' HD21 ' B' ' 45' ' ' ASN . 43.9 Cg_exo -56.03 117.59 4.25 Favored 'Trans proline' 0 C--N 1.352 0.726 0 C-N-CA 122.897 2.398 . . . . 72.21 111.584 179.707 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 34' ' ' ARG . . . . . 0.408 ' HB2' ' CA ' ' B' ' 40' ' ' GLY . 62.9 ttt180 -71.33 -16.36 62.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.348 0.594 . . . . 71.43 110.751 -175.376 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 5.9 mp0 -57.72 -27.37 62.91 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 114.827 -1.079 . . . . 72.42 110.124 178.16 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 4.8 mp -111.95 19.23 18.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.217 -0.901 . . . . 63.52 110.056 -173.104 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 83.34 65.1 1.6 Allowed Glycine 0 C--N 1.332 0.33 0 N-CA-C 111.505 -0.638 . . . . 51.22 111.505 -176.455 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -120.26 -131.46 4.13 Favored Glycine 0 C--N 1.329 0.194 0 C-N-CA 121.133 -0.556 . . . . 64.12 112.507 -174.477 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -120.61 -35.04 3.46 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 120.851 0.358 . . . . 71.25 110.798 179.384 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 40' ' ' GLY . . . . . 0.408 ' CA ' ' HB2' ' B' ' 34' ' ' ARG . . . 70.15 29.14 70.7 Favored Glycine 0 C--N 1.333 0.38 0 C-N-CA 121.055 -0.593 . . . . 53.13 113.183 178.357 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . 0.505 ' HB2' ' OG ' ' B' ' 31' ' ' SER . . . -82.1 157.35 24.12 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.801 -0.444 . . . . 75.21 109.801 176.506 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -74.27 74.16 1.82 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.705 0.764 . . . . 74.14 110.513 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -133.0 -160.03 9.36 Favored Glycine 0 N--CA 1.453 -0.212 0 CA-C-N 114.994 -1.003 . . . . 72.12 111.565 178.105 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 44' ' ' THR . . . . . 0.772 ' H ' ' HA ' ' B' ' 30' ' ' LEU . 51.9 p -113.47 164.87 13.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.788 0.294 . . . . 70.51 110.81 -178.816 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 45' ' ' ASN . . . . . 0.453 HD21 ' HG3' ' B' ' 33' ' ' PRO . 12.2 m120 -85.9 127.06 63.8 Favored Pre-proline 0 C--N 1.329 -0.298 0 N-CA-C 109.708 -0.479 . . . . 71.14 109.708 178.613 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 46' ' ' PRO . . . . . . . . . . . . . 14.6 Cg_endo -56.36 -50.76 11.0 Favored 'Trans proline' 0 C--N 1.35 0.637 0 C-N-CA 122.814 2.343 . . . . 54.41 112.26 -178.346 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -55.69 -37.07 67.85 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-O 121.256 0.551 . . . . 73.03 110.428 179.461 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . 0.449 ' OE1' ' HB2' ' A' ' 21' ' ' SER . 0.9 OUTLIER -65.45 -42.42 92.37 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.672 -0.694 . . . . 65.22 110.12 177.952 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 49' ' ' LEU . . . . . 0.503 HD11 ' HA3' ' A' ' 53' ' ' GLY . 2.3 tm? -61.86 -43.46 98.79 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.692 -0.685 . . . . 73.15 109.372 -178.123 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 25.3 t80 -62.51 -45.98 90.53 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 115.866 -0.606 . . . . 74.53 110.487 175.645 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . 0.492 ' HB2' HG12 ' B' ' 83' ' ' VAL . . . -56.51 -53.21 60.2 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.216 -0.447 . . . . 63.22 111.606 179.473 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -61.06 -40.34 93.28 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 116.05 -0.523 . . . . 74.31 110.367 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . 0.504 ' HA3' HD11 ' A' ' 49' ' ' LEU . . . -62.29 -48.04 85.35 Favored Glycine 0 N--CA 1.448 -0.531 0 CA-C-N 115.642 -0.708 . . . . 73.22 112.429 177.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -63.54 -44.14 95.05 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 110.283 -0.265 . . . . 73.43 110.283 -178.285 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 55' ' ' SER . . . . . 0.511 ' OG ' ' HB3' ' B' ' 81' ' ' ALA . 30.5 m -63.9 -51.97 62.07 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.777 0.323 . . . . 71.55 110.774 -179.041 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 56' ' ' ALA . . . . . 0.492 ' HB3' HD22 ' A' ' 30' ' ' LEU . . . -62.48 -35.41 79.26 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.168 -0.469 . . . . 72.32 110.556 179.023 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 57' ' ' CYS . . . . . 0.544 ' SG ' ' HB2' ' A' ' 46' ' ' PRO . 45.7 t -68.91 -37.08 78.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.848 -0.615 . . . . 72.4 110.273 177.74 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 30.6 t80 -67.92 -25.98 65.74 Favored 'General case' 0 N--CA 1.452 -0.36 0 N-CA-C 109.5 -0.556 . . . . 61.11 109.5 -176.233 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . 0.51 HD22 ' HA2' ' A' ' 13' ' ' GLY . 66.1 tp -62.21 -52.79 62.36 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 115.684 -0.689 . . . . 73.31 109.944 174.004 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 60' ' ' SER . . . . . 0.428 ' O ' ' HB3' ' B' ' 63' ' ' LYS . 19.1 t -66.94 -37.51 84.43 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 115.916 -0.584 . . . . 73.23 110.519 -179.249 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -62.45 -46.91 86.38 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.969 0.414 . . . . 44.1 110.192 176.701 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 62' ' ' MET . . . . . 0.667 ' HA ' ' HE1' ' B' ' 62' ' ' MET . 3.1 tpt -64.02 -33.79 76.54 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.738 -0.665 . . . . 71.0 109.786 178.456 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . 0.428 ' HB3' ' O ' ' B' ' 60' ' ' SER . 46.7 tptt -60.19 -51.99 67.22 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 115.413 -0.812 . . . . 72.03 110.205 176.66 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 81.6 t80 -64.35 -45.01 89.65 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 115.582 -0.735 . . . . 73.11 110.772 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 55.4 t -57.5 -41.86 79.73 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-N 116.311 -0.404 . . . . 75.05 110.629 178.419 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -53.8 -31.17 48.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.119 -0.492 . . . . 74.13 110.693 176.518 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -67.23 -39.51 92.27 Favored Glycine 0 C--N 1.331 0.296 0 CA-C-N 115.824 -0.625 . . . . 75.04 111.989 -179.5 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -90.44 -9.9 45.78 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.633 0.73 . . . . 64.5 109.38 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 69' ' ' ASN . . . . . 0.515 ' HB3' ' HG2' ' B' ' 71' ' ' GLN . 0.9 OUTLIER -92.23 -1.17 57.28 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 114.85 -1.068 . . . . 65.21 110.37 174.315 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 1.8 mptp? 61.19 24.44 14.54 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 115.944 -0.571 . . . . 73.12 111.365 174.691 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . 0.515 ' HG2' ' HB3' ' B' ' 69' ' ' ASN . 3.1 pt20 -124.61 161.24 26.66 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.003 -0.544 . . . . 74.24 110.669 -176.538 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 14.9 p -119.9 132.72 55.63 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.938 -0.574 . . . . 74.12 109.929 175.596 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -109.24 147.2 35.49 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.308 -0.405 . . . . 75.15 110.66 -179.051 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 74' ' ' PRO . . . . . 0.654 ' HD2' HD11 ' B' ' 103' ' ' LEU . 31.2 Cg_exo -59.99 137.06 73.56 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.699 2.266 . . . . 74.32 112.447 178.84 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -76.9 -24.66 52.5 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.758 0.79 . . . . 71.53 110.882 178.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 37.1 m-20 -80.74 21.9 0.63 Allowed 'General case' 0 C--N 1.313 -0.988 0 CA-C-N 114.599 -1.182 . . . . 60.22 111.488 -171.74 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 77' ' ' THR . . . . . 0.517 ' HB ' HD13 ' B' ' 103' ' ' LEU . 7.6 t -88.92 172.98 8.76 Favored 'General case' 0 C--O 1.237 0.421 0 C-N-CA 122.656 0.382 . . . . 73.25 111.791 -175.348 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 16.6 m -152.63 149.27 28.26 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-O 121.057 0.456 . . . . 71.23 110.964 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 72.9 t -131.42 121.05 47.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 N-CA-C 109.069 -0.715 . . . . 54.24 109.069 174.078 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 80' ' ' THR . . . . . 0.477 ' HA ' ' HA ' ' A' ' 10' ' ' THR . 23.7 m -107.18 109.22 20.98 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 116.439 -0.346 . . . . 75.2 110.851 -177.761 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 81' ' ' ALA . . . . . 0.511 ' HB3' ' OG ' ' B' ' 55' ' ' SER . . . -96.66 114.81 26.48 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.435 -0.348 . . . . 73.43 110.393 178.275 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 82' ' ' GLU . . . . . 0.512 ' HA ' ' HA ' ' A' ' 8' ' ' ALA . 41.8 tt0 -112.53 107.99 16.93 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.454 -0.572 . . . . 71.23 109.454 177.759 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . 0.568 HG11 HG22 ' B' ' 97' ' ' VAL . 27.3 m -104.17 146.59 11.4 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.258 0 CA-C-N 116.214 -0.448 . . . . 71.44 111.271 -174.754 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 84' ' ' GLY . . . . . . . . . . . . . . . -142.28 161.95 27.25 Favored Glycine 0 N--CA 1.442 -0.957 0 CA-C-N 115.858 -0.61 . . . . 52.45 111.607 178.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -132.7 130.79 59.51 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 N-CA-C 108.659 -0.867 . . . . 73.1 108.659 178.091 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 86' ' ' GLY . . . . . 0.449 ' HA2' ' HG ' ' A' ' 4' ' ' LEU . . . -150.5 169.71 30.4 Favored Glycine 0 N--CA 1.451 -0.322 0 CA-C-N 115.706 -0.679 . . . . 52.3 111.511 -178.414 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 87' ' ' PRO . . . . . 0.688 ' HD3' ' HG ' ' A' ' 4' ' ' LEU . 7.8 Cg_exo -71.89 125.38 10.95 Favored 'Trans proline' 0 C--N 1.344 0.3 0 C-N-CA 122.792 2.328 . . . . 70.05 111.77 -178.444 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 88' ' ' ASN . . . . . 0.445 ' HB2' ' HB3' ' B' ' 94' ' ' ALA . 51.9 t-20 -77.24 146.33 36.99 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.149 -0.686 . . . . 72.3 109.149 176.171 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -62.66 -13.55 33.23 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-O 121.202 0.525 . . . . 71.21 110.863 178.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -67.41 -22.61 65.53 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 115.329 -0.851 . . . . 74.05 111.254 175.492 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.1 23.41 8.14 Favored Glycine 0 C--O 1.235 0.21 0 N-CA-C 111.66 -0.576 . . . . 72.2 111.66 -176.12 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . -137.36 -144.33 4.73 Favored Glycine 0 N--CA 1.452 -0.253 0 N-CA-C 111.107 -0.797 . . . . 70.13 111.107 178.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 93' ' ' PHE . . . . . . . . . . . . . 63.2 m-85 -111.04 167.91 9.89 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 117.117 0.459 . . . . 73.12 110.533 178.156 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 94' ' ' ALA . . . . . 0.445 ' HB3' ' HB2' ' B' ' 88' ' ' ASN . . . -153.14 132.83 13.09 Favored 'General case' 0 C--O 1.239 0.534 0 CA-C-N 115.896 -0.593 . . . . 62.21 109.889 179.08 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -95.45 121.66 37.36 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.834 -0.621 . . . . 74.21 110.05 177.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 96' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -109.97 111.73 23.3 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.18 -0.918 . . . . 73.53 109.481 -178.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 97' ' ' VAL . . . . . 0.568 HG22 HG11 ' B' ' 83' ' ' VAL . 63.7 t -114.03 110.65 32.88 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.828 0 CA-C-N 115.979 -0.555 . . . . 65.34 110.65 -174.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 98' ' ' GLU . . . . . 0.443 ' HG2' ' HB3' ' B' ' 135' ' ' ARG . 43.6 mt-10 -95.47 106.99 19.12 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.726 -0.472 . . . . 74.42 109.726 178.135 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 84.4 mt -94.0 106.62 18.59 Favored 'General case' 0 C--O 1.235 0.299 0 N-CA-C 109.487 -0.561 . . . . 75.14 109.487 179.653 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 100' ' ' ARG . . . . . 0.529 ' HA ' ' O ' ' B' ' 137' ' ' VAL . 77.6 ttt180 -99.42 122.94 43.23 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.672 -0.695 . . . . 70.24 110.073 -175.047 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 101' ' ' VAL . . . . . . . . . . . . . 89.7 t -110.5 118.72 57.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.353 -0.385 . . . . 60.12 110.941 -173.684 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -120.72 101.49 7.76 Favored 'General case' 0 C--O 1.238 0.449 0 CA-C-N 116.152 -0.476 . . . . 53.32 109.86 175.753 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 103' ' ' LEU . . . . . 0.688 HD22 HD22 ' B' ' 106' ' ' LEU . 42.1 tp -113.99 117.58 43.68 Favored Pre-proline 0 C--N 1.328 -0.356 0 N-CA-C 109.096 -0.705 . . . . 72.24 109.096 179.004 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 104' ' ' PRO . . . . . 0.523 ' HD2' HD13 ' B' ' 103' ' ' LEU . 32.8 Cg_endo -62.26 145.5 96.07 Favored 'Trans proline' 0 C--O 1.237 0.45 0 C-N-CA 122.677 2.252 . . . . 74.24 111.793 -179.051 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 105' ' ' GLY . . . . . . . . . . . . . . . 68.78 15.12 68.56 Favored Glycine 0 CA--C 1.52 0.391 0 CA-C-N 115.617 -0.72 . . . . 72.34 112.458 -177.225 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 106' ' ' LEU . . . . . 0.688 HD22 HD22 ' B' ' 103' ' ' LEU . 50.2 tp -121.39 139.63 53.19 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 120.996 0.427 . . . . 65.44 110.955 -179.813 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -82.65 167.58 18.12 Favored 'General case' 0 CA--C 1.516 -0.355 0 CA-C-N 115.708 -0.678 . . . . 63.12 110.634 179.6 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -68.44 -45.48 72.42 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.055 -0.52 . . . . 74.55 109.829 168.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -59.67 -47.38 85.84 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.505 -0.77 . . . . 64.51 110.64 -178.042 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 110' ' ' ALA . . . . . 0.456 ' O ' HG23 ' B' ' 113' ' ' THR . . . -70.99 -42.92 69.02 Favored 'General case' 0 C--O 1.238 0.462 0 CA-C-N 116.128 -0.487 . . . . 72.03 110.29 179.349 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -54.53 -37.82 65.85 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 115.856 -0.611 . . . . 64.14 111.324 178.226 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 112' ' ' LYS . . . . . . . . . . . . . 23.4 mmmt -51.08 -45.95 61.62 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 116.049 -0.523 . . . . 74.45 111.357 179.381 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 113' ' ' THR . . . . . 0.456 HG23 ' O ' ' B' ' 110' ' ' ALA . 1.6 t -82.16 -37.27 26.4 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.368 -0.378 . . . . 72.03 110.627 -177.026 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 33.9 mt -62.36 -45.96 90.83 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-O 120.752 0.311 . . . . 72.05 110.92 -178.218 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 115' ' ' VAL . . . . . 0.559 HG21 HG12 ' B' ' 138' ' ' VAL . 84.2 t -63.21 -37.55 79.75 Favored 'Isoleucine or valine' 0 C--O 1.243 0.724 0 CA-C-N 116.278 -0.419 . . . . 63.55 110.198 177.66 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 116' ' ' ASP . . . . . 0.591 ' O ' ' HB2' ' B' ' 120' ' ' HIS . 17.3 t70 -61.05 -61.51 2.52 Favored 'General case' 0 CA--C 1.52 -0.18 0 CA-C-N 115.836 -0.62 . . . . 75.43 109.883 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 117' ' ' ARG . . . . . 0.461 ' O ' HG23 ' B' ' 121' ' ' VAL . 16.0 ptm180 -57.38 -38.69 74.66 Favored 'General case' 0 N--CA 1.461 0.121 0 CA-C-N 116.296 -0.411 . . . . 70.2 110.61 -177.814 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -56.26 -56.11 25.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.842 -0.617 . . . . 61.11 110.986 178.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 79.0 m-70 -76.99 -14.05 59.89 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-O 120.675 0.274 . . . . 74.31 111.057 179.36 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 120' ' ' HIS . . . . . 0.591 ' HB2' ' O ' ' B' ' 116' ' ' ASP . 2.5 t-160 -77.57 -39.88 44.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.039 -0.528 . . . . 73.32 110.093 -177.457 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 121' ' ' VAL . . . . . 0.461 HG23 ' O ' ' B' ' 117' ' ' ARG . 32.4 m -95.21 -38.6 8.99 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.242 0 CA-C-N 116.135 -0.484 . . . . 73.14 111.455 -177.255 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 122' ' ' CYS . . . . . . . . . . . . . 77.0 m -126.99 82.5 67.94 Favored Pre-proline 0 CA--C 1.533 0.293 0 CA-C-O 120.89 0.376 . . . . 74.53 111.671 -177.075 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 123' ' ' PRO . . . . . . . . . . . . . 62.7 Cg_endo -96.11 158.56 1.37 Allowed 'Trans proline' 0 N--CA 1.454 -0.819 0 C-N-CA 122.951 2.434 . . . . 65.25 111.716 171.746 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 124' ' ' TYR . . . . . 0.524 ' HE2' ' SG ' ' B' ' 57' ' ' CYS . 0.1 OUTLIER . . . . . 0 N--CA 1.465 0.281 0 CA-C-O 121.669 0.747 . . . . 65.35 109.275 174.495 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 128' ' ' THR . . . . . . . . . . . . . 1.7 t . . . . . 0 N--CA 1.467 0.381 0 N-CA-C 109.06 -0.719 . . . . 64.4 109.06 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 129' ' ' ARG . . . . . . . . . . . . . 23.6 ptt85 -126.16 -43.23 1.81 Allowed 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 115.072 -0.967 . . . . 75.21 110.833 -177.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 130' ' ' ASN . . . . . . . . . . . . . 14.9 m120 -77.06 -48.04 18.93 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 116.157 -0.474 . . . . 74.14 111.212 178.459 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 131' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -73.99 -43.84 56.72 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 116.132 -0.485 . . . . 75.43 110.907 -176.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 132' ' ' VAL . . . . . . . . . . . . . 56.1 t -88.27 134.36 28.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.89 -0.595 . . . . 62.31 109.671 178.235 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 133' ' ' ALA . . . . . . . . . . . . . . . -72.3 86.61 1.11 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.589 0.709 . . . . 72.23 110.417 -179.128 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 134' ' ' VAL . . . . . . . . . . . . . 46.6 t -100.43 119.68 48.87 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.758 0 CA-C-N 115.093 -0.958 . . . . 64.53 110.791 -179.524 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 135' ' ' ARG . . . . . 0.443 ' HB3' ' HG2' ' B' ' 98' ' ' GLU . 0.1 OUTLIER -88.8 108.32 19.44 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.561 -0.745 . . . . 74.32 109.424 175.386 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 136' ' ' LEU . . . . . 0.41 HD22 ' HA ' ' B' ' 136' ' ' LEU . 54.3 mt -79.36 113.04 17.18 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.067 0.461 . . . . 72.41 110.11 175.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 137' ' ' VAL . . . . . 0.529 ' O ' ' HA ' ' B' ' 100' ' ' ARG . 0.2 OUTLIER -122.86 115.57 46.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.681 -0.691 . . . . 74.23 110.499 -177.614 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 138' ' ' VAL . . . . . 0.559 HG12 HG21 ' B' ' 115' ' ' VAL . 3.0 m -101.12 138.49 25.16 Favored 'Isoleucine or valine' 0 C--O 1.238 0.455 0 CA-C-N 115.786 -0.643 . . . . 70.52 109.865 -179.761 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 139' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.176 0 CA-C-O 118.594 -0.717 . . . . 71.35 110.817 -177.008 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.581 ' SD ' ' HB2' ' B' ' 96' ' ' ASP . 28.7 ptm . . . . . 0 N--CA 1.484 1.258 0 CA-C-O 120.935 0.398 . . . . 71.43 110.719 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 49.5 t30 -100.86 83.92 2.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.817 -0.628 . . . . 75.52 109.808 -179.125 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.495 HG22 ' HB2' ' A' ' 6' ' ' LYS . 29.6 mm -66.44 129.06 30.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.889 -0.596 . . . . 51.02 111.958 -178.495 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.735 ' HG ' ' HD3' ' B' ' 87' ' ' PRO . 88.3 mt -86.29 -43.44 12.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.58 -0.736 . . . . 74.21 109.742 174.201 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . 0.623 ' HE2' ' HG2' ' B' ' 35' ' ' GLU . 58.7 t80 -141.08 135.5 31.04 Favored 'General case' 0 CA--C 1.518 -0.273 0 CA-C-N 116.056 -0.52 . . . . 73.42 110.03 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.495 ' HB2' HG22 ' A' ' 3' ' ' ILE . 31.2 ttmt -145.49 139.62 26.95 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.933 0.397 . . . . 62.42 110.549 177.128 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 7.1 t -139.18 -180.0 6.19 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.454 -0.794 . . . . 73.02 109.092 177.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -151.5 148.44 28.04 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.886 0.374 . . . . 64.34 110.354 -178.003 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -137.92 131.96 31.69 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.115 -0.493 . . . . 73.03 109.988 -179.733 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 8.9 t -102.29 121.72 42.83 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.113 0.482 . . . . 73.43 109.817 -178.751 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 75.2 p -107.37 113.51 26.92 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.12 -0.491 . . . . 74.42 110.297 -179.02 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.3 m -85.76 151.95 23.43 Favored 'General case' 0 C--O 1.241 0.651 0 CA-C-N 116.235 -0.439 . . . . 72.12 110.627 -178.138 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -78.84 67.83 3.14 Favored Glycine 0 N--CA 1.444 -0.793 0 CA-C-N 115.825 -0.625 . . . . 62.44 111.812 177.118 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.89 -159.59 0.42 Allowed Glycine 0 C--N 1.336 0.568 0 C-N-CA 121.008 -0.615 . . . . 62.02 112.764 176.052 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.579 ' HA ' ' NE ' ' A' ' 15' ' ' ARG . 1.5 mmp_? -47.76 -49.42 28.5 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 116.64 0.22 . . . . 73.04 111.277 -179.367 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.55 ' HB3' ' HA ' ' A' ' 31' ' ' SER . 33.8 t70 -125.74 -42.78 1.9 Allowed 'General case' 0 CA--C 1.518 -0.269 0 N-CA-C 109.111 -0.7 . . . . 74.22 109.111 171.841 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -163.62 158.5 30.99 Favored Glycine 0 N--CA 1.446 -0.653 0 C-N-CA 120.271 -0.966 . . . . 73.12 112.192 167.325 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.448 ' HA ' ' HA ' ' A' ' 29' ' ' LYS . 24.8 ttt85 -133.92 152.99 52.06 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 108.862 -0.792 . . . . 73.24 108.862 172.846 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -146.19 124.29 12.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.767 0.318 . . . . 71.12 110.633 -176.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.446 HG21 ' HB2' ' A' ' 27' ' ' ASP . 25.5 m -133.71 114.17 13.14 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.971 -0.559 . . . . 65.23 110.248 -177.289 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.511 ' CB ' ' HB3' ' A' ' 26' ' ' LEU . 18.0 t -74.64 115.46 14.23 Favored 'General case' 0 C--O 1.249 1.055 0 N-CA-C 107.36 -1.348 . . . . 62.3 107.36 175.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.414 ' C ' ' H ' ' A' ' 24' ' ' GLN . 78.1 t60 -63.0 -19.6 64.51 Favored 'General case' 0 C--N 1.351 0.649 0 O-C-N 126.383 2.302 . . . . 71.44 113.021 -163.408 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.41 ' OD1' ' HE3' ' A' ' 25' ' ' LYS . 9.4 p30 -80.43 13.21 2.55 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.637 0.732 . . . . 73.43 109.253 174.229 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.414 ' H ' ' C ' ' A' ' 22' ' ' HIS . 30.2 mm-40 69.88 20.15 6.79 Favored 'General case' 0 CA--C 1.515 -0.367 0 CA-C-N 114.283 -1.326 . . . . 72.53 111.417 172.238 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.431 ' HD2' ' OE1' ' B' ' 48' ' ' GLN . 14.2 ptpt -91.79 -13.23 31.84 Favored 'General case' 0 N--CA 1.451 -0.42 0 C-N-CA 120.331 -0.548 . . . . 73.44 110.415 176.834 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.511 ' HB3' ' CB ' ' A' ' 21' ' ' SER . 67.8 tp -141.9 142.55 33.07 Favored 'General case' 0 C--N 1.349 0.582 0 C-N-CA 119.081 -1.048 . . . . 74.42 110.631 175.42 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.446 ' HB2' HG21 ' A' ' 20' ' ' THR . 30.3 t70 -164.4 90.52 0.57 Allowed 'General case' 0 C--N 1.33 -0.25 0 O-C-N 123.635 0.585 . . . . 74.5 109.453 176.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.419 HG22 HD13 ' A' ' 26' ' ' LEU . 11.0 m -147.42 178.07 1.02 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.427 0 CA-C-N 115.852 -0.613 . . . . 62.12 111.608 -176.128 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.448 ' HA ' ' HA ' ' A' ' 18' ' ' ARG . 0.0 OUTLIER -118.61 151.45 37.9 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.157 -0.929 . . . . 62.42 110.485 178.108 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.612 ' HA ' ' H ' ' A' ' 44' ' ' THR . 0.0 OUTLIER -130.1 155.36 46.31 Favored 'General case' 0 C--O 1.257 1.498 0 N-CA-C 109.483 -0.562 . . . . 73.21 109.483 167.723 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.55 ' HA ' ' HB3' ' A' ' 16' ' ' ASP . 73.1 m -164.24 131.11 3.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.673 -0.694 . . . . 75.34 111.547 -175.44 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.433 ' HA ' ' HD3' ' A' ' 33' ' ' PRO . . . -72.87 133.66 81.92 Favored Pre-proline 0 C--O 1.241 0.632 0 CA-C-N 115.273 -0.876 . . . . 52.21 110.65 177.314 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' A' ' 32' ' ' ALA . 33.8 Cg_exo -60.31 148.48 90.02 Favored 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 122.909 2.406 . . . . 73.33 112.177 -179.083 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 6.6 mmt85 -69.76 -3.31 14.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.223 -0.444 . . . . 64.52 111.501 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.404 ' HB3' HD22 ' A' ' 36' ' ' LEU . 9.7 tp10 -57.71 -31.55 66.53 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-O 121.045 0.45 . . . . 75.14 110.408 175.389 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.479 HD22 ' N ' ' A' ' 36' ' ' LEU . 2.2 mm? -100.58 6.2 44.11 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 115.76 -0.655 . . . . 73.53 110.324 178.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 75.46 37.57 40.73 Favored Glycine 0 N--CA 1.451 -0.363 0 N-CA-C 111.386 -0.686 . . . . 72.22 111.386 -171.647 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -76.44 -123.2 0.18 Allowed Glycine 0 C--N 1.337 0.599 0 C-N-CA 121.44 -0.409 . . . . 73.44 113.231 -178.156 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -104.17 -38.85 6.74 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 120.874 0.369 . . . . 63.22 111.28 -173.488 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 99.79 66.65 0.84 Allowed Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 121.081 -0.581 . . . . 45.53 111.862 -178.244 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -167.89 137.29 2.58 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.944 -0.391 . . . . 51.12 109.944 -178.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -86.26 57.63 4.6 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.388 0.613 . . . . 71.23 111.061 -178.427 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -85.02 -141.01 5.31 Favored Glycine 0 C--N 1.331 0.27 0 N-CA-C 110.817 -0.913 . . . . 55.55 110.817 174.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.612 ' H ' ' HA ' ' A' ' 30' ' ' LEU . 4.4 p -111.35 151.96 27.83 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.042 -0.725 . . . . 74.01 109.042 175.217 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.67 ' HB2' ' HB3' ' A' ' 48' ' ' GLN . 66.7 m-20 -86.23 133.03 41.56 Favored Pre-proline 0 C--N 1.324 -0.506 0 N-CA-C 109.373 -0.602 . . . . 72.33 109.373 -178.033 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -56.95 -53.15 5.36 Favored 'Trans proline' 0 C--N 1.35 0.625 0 C-N-CA 123.101 2.534 . . . . 63.04 113.242 -174.618 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.492 ' OE1' ' HB3' ' A' ' 45' ' ' ASN . 0.0 OUTLIER -69.3 -31.72 70.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.53 -0.305 . . . . 62.13 110.385 -179.222 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.67 ' HB3' ' HB2' ' A' ' 45' ' ' ASN . 0.8 OUTLIER -63.89 -37.53 87.72 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-O 121.111 0.481 . . . . 74.41 110.336 173.948 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.452 HD11 ' HA3' ' B' ' 53' ' ' GLY . 2.8 tm? -66.73 -52.67 41.71 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 115.746 -0.661 . . . . 71.11 109.307 179.312 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 54.0 t80 -59.26 -40.0 84.64 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.07 -0.514 . . . . 65.21 110.531 177.21 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.37 -52.92 62.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 52.03 110.847 178.586 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.62 -47.36 85.91 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-N 116.091 -0.504 . . . . 73.32 110.665 -179.589 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.408 ' O ' ' SG ' ' A' ' 57' ' ' CYS . . . -58.83 -53.18 48.41 Favored Glycine 0 N--CA 1.45 -0.386 0 CA-C-N 115.685 -0.689 . . . . 45.35 112.294 179.039 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -62.16 -37.3 84.7 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 122.719 0.408 . . . . 74.55 110.441 -179.224 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 32.5 t -59.68 -53.16 61.21 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.102 0.477 . . . . 73.1 110.145 178.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.448 ' HB2' HD23 ' B' ' 30' ' ' LEU . . . -69.85 -35.41 74.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.886 -0.597 . . . . 72.41 111.041 -178.796 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.41 ' SG ' ' HB3' ' B' ' 46' ' ' PRO . 88.8 m -65.32 -36.28 83.58 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.126 -0.488 . . . . 74.4 110.018 177.771 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 33.2 t80 -62.11 -38.06 87.47 Favored 'General case' 0 C--O 1.233 0.232 0 N-CA-C 109.179 -0.675 . . . . 74.24 109.179 179.411 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 47.9 tp -66.08 -51.43 58.17 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 115.174 -0.921 . . . . 74.12 110.632 178.677 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.539 ' HA ' ' HZ2' ' A' ' 63' ' ' LYS . 74.7 m -63.81 -34.97 79.1 Favored 'General case' 0 C--O 1.238 0.449 0 CA-C-O 120.705 0.288 . . . . 74.4 111.138 179.017 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -59.51 -46.47 88.75 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.266 -0.642 . . . . 64.15 109.266 174.647 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 83.6 mmm -64.53 -32.85 74.67 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.645 -0.707 . . . . 61.32 111.084 176.372 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.539 ' HZ2' ' HA ' ' A' ' 60' ' ' SER . 24.2 mtmm -62.6 -41.27 98.87 Favored 'General case' 0 N--CA 1.465 0.309 0 N-CA-C 109.81 -0.441 . . . . 62.32 109.81 177.242 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 44.7 t80 -71.28 -47.86 54.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.208 -0.451 . . . . 70.35 110.385 177.272 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 41.0 t -52.76 -46.57 51.12 Favored 'Isoleucine or valine' 0 C--O 1.237 0.44 0 CA-C-O 121.122 0.487 . . . . 51.41 111.116 179.257 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -56.83 -32.9 66.21 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.022 -0.535 . . . . 55.45 110.563 179.345 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -71.41 -28.2 70.11 Favored Glycine 0 CA--C 1.518 0.219 0 CA-C-N 115.642 -0.708 . . . . 65.01 112.717 -176.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -97.27 -14.91 21.06 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.32 0.581 . . . . 73.33 109.524 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 16.7 m-80 -93.42 -3.92 52.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.197 -0.91 . . . . 73.35 110.316 173.657 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 3.0 mptp? 59.39 23.37 11.88 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 115.547 -0.752 . . . . 70.5 111.496 177.169 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -108.55 162.19 14.36 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.14 -0.936 . . . . 65.11 109.373 176.364 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 17.0 p -124.78 131.46 53.45 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 116.495 -0.321 . . . . 71.13 110.625 -177.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -109.45 137.85 20.4 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-N 116.143 -0.48 . . . . 64.52 110.312 177.338 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 10.4 Cg_endo -56.43 132.89 54.57 Favored 'Trans proline' 0 C--N 1.348 0.523 0 C-N-CA 123.273 2.649 . . . . 75.32 112.935 179.431 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -76.93 1.82 16.54 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 121.206 0.527 . . . . 74.43 111.273 177.28 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -94.71 18.14 12.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.658 0.742 . . . . 72.44 110.219 -179.781 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.5 ' HB ' HD11 ' A' ' 103' ' ' LEU . 8.2 t -90.23 166.52 13.31 Favored 'General case' 0 C--O 1.238 0.456 0 CA-C-N 115.451 -0.795 . . . . 74.0 112.297 -176.407 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.515 HG22 ' HA ' ' B' ' 12' ' ' THR . 1.1 p -148.99 149.48 31.23 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 115.526 -0.761 . . . . 72.13 110.686 -179.714 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 92.6 t -131.55 125.36 56.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 N-CA-C 109.187 -0.671 . . . . 73.54 109.187 173.415 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' THR . . . . . 0.421 ' HB ' ' HB3' ' A' ' 100' ' ' ARG . 47.3 m -111.54 113.09 25.27 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 120.676 0.274 . . . . 61.0 110.579 -179.497 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -93.38 106.62 18.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.111 -0.495 . . . . 75.0 109.932 177.662 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.52 ' HA ' ' HA ' ' B' ' 8' ' ' ALA . 32.2 tt0 -107.75 107.85 18.8 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.22 -0.445 . . . . 75.53 109.865 -179.837 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.526 HG11 HG22 ' A' ' 97' ' ' VAL . 34.1 m -99.43 140.11 19.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.359 -0.382 . . . . 74.25 110.745 -177.054 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . 0.405 ' O ' ' HA ' ' A' ' 95' ' ' LEU . . . -129.76 151.1 19.2 Favored Glycine 0 N--CA 1.444 -0.791 0 N-CA-C 111.389 -0.684 . . . . 64.22 111.389 174.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -131.84 128.16 59.56 Favored 'Isoleucine or valine' 0 C--O 1.244 0.774 0 N-CA-C 109.531 -0.544 . . . . 71.32 109.531 179.538 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -155.66 169.85 33.49 Favored Glycine 0 N--CA 1.454 -0.117 0 CA-C-N 115.047 -0.978 . . . . 64.2 111.51 178.764 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . 0.671 ' HD3' ' HG ' ' B' ' 4' ' ' LEU . 3.0 Cg_exo -73.87 127.93 11.95 Favored 'Trans proline' 0 N--CA 1.461 -0.419 0 C-N-CA 122.656 2.237 . . . . 75.13 110.834 175.599 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . 0.45 ' HB3' ' HB1' ' A' ' 94' ' ' ALA . 38.7 p30 -91.86 170.36 9.94 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.102 0.477 . . . . 63.43 111.062 -179.116 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -67.55 -14.04 62.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.722 -0.672 . . . . 74.31 111.342 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -70.6 -26.62 63.59 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 116.349 -0.387 . . . . 62.35 110.224 176.5 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.17 19.72 11.3 Favored Glycine 0 C--N 1.331 0.258 0 CA-C-N 115.954 -0.566 . . . . 52.42 112.444 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . 0.43 ' O ' ' HA ' ' A' ' 87' ' ' PRO . . . -133.41 -152.56 6.87 Favored Glycine 0 C--N 1.328 0.138 0 N-CA-C 111.204 -0.758 . . . . 74.12 111.204 177.517 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 32.9 m-85 -98.05 156.39 16.67 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.847 -0.427 . . . . 72.25 109.847 178.724 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . 0.472 ' HB3' ' HE3' ' B' ' 1' ' ' MET . . . -147.73 136.78 22.18 Favored 'General case' 0 C--O 1.241 0.636 0 CA-C-N 116.41 -0.359 . . . . 73.43 110.727 179.01 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.428 HD11 ' HG2' ' A' ' 47' ' ' GLU . 4.4 mm? -103.25 115.44 30.56 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 115.121 -0.945 . . . . 75.45 109.643 175.639 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 34.5 t0 -109.88 110.48 21.46 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 108.705 -0.85 . . . . 62.1 108.705 179.358 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.625 ' HB ' HG22 ' A' ' 134' ' ' VAL . 56.4 t -112.21 110.65 32.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 N-CA-C 111.898 0.332 . . . . 41.42 111.898 -170.393 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -80.44 111.19 16.61 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 110.215 -0.291 . . . . 52.25 110.215 173.304 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 57.0 mt -93.8 106.93 18.87 Favored 'General case' 0 C--O 1.234 0.253 0 N-CA-C 109.132 -0.692 . . . . 73.33 109.132 173.521 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . 0.59 ' HA ' ' O ' ' A' ' 137' ' ' VAL . 66.0 ttt180 -99.7 107.56 19.69 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.362 -0.835 . . . . 73.43 110.474 -174.409 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 48.3 t -103.17 102.04 13.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.465 -0.334 . . . . 72.23 110.692 -173.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -99.66 101.33 12.49 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.791 0.329 . . . . 73.1 110.31 178.748 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.833 HD23 HD22 ' A' ' 106' ' ' LEU . 35.8 tp -114.45 117.5 42.8 Favored Pre-proline 0 C--N 1.327 -0.378 0 N-CA-C 108.904 -0.776 . . . . 73.31 108.904 179.41 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . 0.512 ' HD2' HD11 ' A' ' 103' ' ' LEU . 57.5 Cg_endo -73.51 148.62 42.9 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.266 1.977 . . . . 73.52 112.273 -175.895 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 74.32 15.05 80.33 Favored Glycine 0 N--CA 1.45 -0.37 0 CA-C-N 115.662 -0.699 . . . . 54.45 112.118 -177.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.833 HD22 HD23 ' A' ' 103' ' ' LEU . 30.5 tp -124.91 140.07 53.26 Favored 'General case' 0 C--O 1.236 0.359 0 C-N-CA 122.825 0.45 . . . . 65.03 110.698 -176.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -75.64 163.34 27.42 Favored 'General case' 0 CA--C 1.512 -0.486 0 CA-C-N 115.992 -0.549 . . . . 72.42 110.611 178.328 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . 0.447 ' O ' ' HG3' ' A' ' 112' ' ' LYS . . . -68.85 -45.07 72.03 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.37 -0.832 . . . . 74.35 109.886 169.714 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -61.49 -44.65 96.7 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-N 115.392 -0.822 . . . . 64.13 110.771 -176.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . 0.477 ' O ' HG22 ' A' ' 113' ' ' THR . . . -72.74 -42.25 64.28 Favored 'General case' 0 C--O 1.237 0.434 0 CA-C-N 115.958 -0.564 . . . . 73.25 110.298 178.502 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -54.63 -38.91 67.41 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 115.969 -0.559 . . . . 54.13 110.864 178.302 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . 0.685 ' HZ2' ' HB3' ' A' ' 112' ' ' LYS . 10.4 mtpm? -51.88 -45.15 64.04 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.273 -0.421 . . . . 74.23 111.247 177.879 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' THR . . . . . 0.478 ' O ' ' HG2' ' A' ' 117' ' ' ARG . 1.1 t -78.56 -37.23 43.23 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 120.958 -0.297 . . . . 74.22 110.517 -176.61 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 50.8 mt -64.07 -47.77 78.81 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 116.458 -0.337 . . . . 61.01 110.572 -178.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . 0.452 HG22 HG13 ' A' ' 138' ' ' VAL . 93.3 t -64.36 -36.77 78.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.304 -0.407 . . . . 72.22 110.101 177.805 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -57.97 -58.38 8.67 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 121.026 0.441 . . . . 65.51 110.745 179.679 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . 0.478 ' HG2' ' O ' ' A' ' 113' ' ' THR . 9.2 ptm180 -64.98 -40.88 95.64 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-N 115.844 -0.616 . . . . 65.24 110.8 -177.225 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . 0.426 ' HA ' HG23 ' A' ' 121' ' ' VAL . . . -61.22 -35.93 78.55 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.05 -0.523 . . . . 63.41 110.302 177.448 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . 0.467 ' O ' ' HB3' ' A' ' 125' ' ' SER . 41.9 t-80 -80.44 8.09 8.4 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 115.704 -0.68 . . . . 74.13 110.55 178.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 22.0 m-70 -108.86 -47.51 3.44 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.139 -0.482 . . . . 75.14 110.4 171.41 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . 0.426 HG23 ' HA ' ' A' ' 118' ' ' ALA . 33.7 m -67.8 -34.75 69.43 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.419 0 N-CA-C 112.615 0.598 . . . . 74.54 112.615 -173.459 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' CYS . . . . . 0.402 ' HB2' ' HG ' ' A' ' 125' ' ' SER . 80.4 m -68.14 129.08 93.17 Favored Pre-proline 0 CA--C 1.535 0.397 0 N-CA-C 110.371 -0.233 . . . . 72.12 110.371 179.698 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -58.76 -38.57 88.2 Favored 'Trans proline' 0 C--N 1.352 0.741 0 C-N-CA 122.779 2.32 . . . . 75.04 112.942 -174.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 28.2 m-85 -64.28 -18.44 64.58 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 116.399 -0.364 . . . . 65.44 110.986 -178.095 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' SER . . . . . 0.532 ' HA ' HG23 ' A' ' 128' ' ' THR . 19.4 m -63.25 -37.26 86.53 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.113 -0.494 . . . . 65.33 112.302 -172.831 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 56.2 t30 -59.53 -46.55 88.54 Favored 'General case' 0 C--O 1.239 0.535 0 CA-C-O 121.298 0.57 . . . . 73.42 110.322 -176.239 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . 0.574 ' O ' ' HB3' ' A' ' 131' ' ' ASN . . . -68.4 -17.61 64.26 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.35 -0.841 . . . . 54.1 111.539 179.817 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' THR . . . . . 0.556 ' HA ' ' HB ' ' A' ' 132' ' ' VAL . 0.8 OUTLIER -108.32 9.55 27.83 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.346 0.593 . . . . 73.21 109.924 -170.504 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 3.7 ptm180 -125.55 -55.79 1.52 Allowed 'General case' 0 C--O 1.232 0.164 0 CA-C-N 115.832 -0.622 . . . . 72.04 110.658 178.647 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -78.76 -42.0 29.17 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.281 0.562 . . . . 71.52 110.534 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 131' ' ' ASN . . . . . 0.574 ' HB3' ' O ' ' A' ' 127' ' ' ALA . 2.5 t-20 -86.23 -43.09 13.25 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.532 -0.758 . . . . 72.12 111.04 -176.078 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . 0.556 ' HB ' ' HA ' ' A' ' 128' ' ' THR . 61.7 t -117.44 148.43 20.21 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.251 0 CA-C-N 116.545 -0.298 . . . . 70.22 110.73 -173.724 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -89.71 103.35 16.01 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.191 0.52 . . . . 45.42 110.576 -179.635 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . 0.625 HG22 ' HB ' ' A' ' 97' ' ' VAL . 71.5 t -116.67 124.1 72.39 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 115.824 -0.626 . . . . 75.02 111.028 177.678 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 3.1 tpp180 -90.26 117.39 28.97 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.405 -0.816 . . . . 74.34 109.388 178.138 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . 0.424 HD23 ' HA ' ' A' ' 136' ' ' LEU . 50.7 mt -87.41 109.49 19.6 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.274 0.559 . . . . 50.04 111.169 -178.788 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . 0.59 ' O ' ' HA ' ' A' ' 100' ' ' ARG . 0.2 OUTLIER -115.07 114.0 45.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.221 -0.899 . . . . 74.42 110.077 179.846 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . 0.452 HG13 HG22 ' A' ' 115' ' ' VAL . 3.6 m -94.01 138.87 19.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.8 -0.636 . . . . 71.15 109.896 -179.022 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.314 -0.939 0 CA-C-N 115.83 -0.623 . . . . 73.13 111.135 -175.195 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 1' ' ' MET . . . . . 0.472 ' HE3' ' HB3' ' A' ' 94' ' ' ALA . 28.1 ptm . . . . . 0 C--O 1.234 0.252 0 CA-C-O 120.717 0.294 . . . . 72.42 110.769 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 56.6 t30 -99.44 84.78 3.04 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.045 -0.525 . . . . 61.35 109.791 179.117 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . 0.487 HG22 ' HB2' ' B' ' 6' ' ' LYS . 28.5 mm -70.39 122.89 23.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.933 -0.576 . . . . 72.42 111.321 179.554 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . 0.671 ' HG ' ' HD3' ' A' ' 87' ' ' PRO . 88.2 mt -79.59 -45.94 18.21 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.621 -0.718 . . . . 75.25 109.744 176.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 5' ' ' TYR . . . . . . . . . . . . . 23.7 t80 -137.48 132.68 33.67 Favored 'General case' 0 CA--C 1.517 -0.318 0 CA-C-N 115.834 -0.621 . . . . 75.45 109.774 -177.456 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . 0.487 ' HB2' HG22 ' B' ' 3' ' ' ILE . 37.9 ttmt -136.36 135.93 39.24 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.903 0.382 . . . . 65.01 110.661 177.601 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 5.1 t -133.68 139.48 46.45 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.953 -0.567 . . . . 73.02 109.871 179.076 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . 0.52 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . . . -110.25 143.92 39.7 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.077 -0.51 . . . . 64.22 110.268 -177.614 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . 0.429 ' HA ' ' H ' ' B' ' 22' ' ' HIS . . . -132.75 119.6 20.54 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.947 0.403 . . . . 71.2 110.353 177.236 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 89.8 m -91.38 123.94 35.19 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.842 -0.617 . . . . 64.31 110.682 -177.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 43.1 t -111.69 113.65 26.15 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.855 -0.611 . . . . 74.14 109.667 178.352 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 12' ' ' THR . . . . . 0.515 ' HA ' HG22 ' A' ' 78' ' ' THR . 4.4 m -102.0 158.32 16.23 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.701 0.286 . . . . 73.24 110.67 179.574 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -81.18 73.19 2.62 Favored Glycine 0 N--CA 1.45 -0.405 0 N-CA-C 111.254 -0.738 . . . . 71.12 111.254 174.042 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -63.6 -106.93 0.01 OUTLIER Glycine 0 C--N 1.336 0.533 0 C-N-CA 121.218 -0.515 . . . . 73.4 112.621 -179.585 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . 0.47 ' CG ' ' HB1' ' B' ' 41' ' ' ALA . 6.0 tpm_? -88.85 -52.67 4.99 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.309 -0.626 . . . . 65.14 109.309 174.028 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 16' ' ' ASP . . . . . 0.502 ' HB3' ' HA ' ' B' ' 31' ' ' SER . 25.1 t70 -125.73 -42.76 1.9 Allowed 'General case' 0 C--O 1.236 0.365 0 CA-C-N 116.155 -0.475 . . . . 65.33 109.851 169.172 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -156.24 143.14 9.41 Favored Glycine 0 N--CA 1.446 -0.695 0 C-N-CA 120.138 -1.03 . . . . 74.22 112.222 168.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 41.7 ttt180 -117.11 150.89 37.93 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 108.646 -0.872 . . . . 74.4 108.646 175.166 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -144.44 123.54 12.88 Favored 'General case' 0 C--N 1.317 -0.826 0 N-CA-C 109.302 -0.629 . . . . 64.31 109.302 179.495 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 20' ' ' THR . . . . . 0.464 ' HA ' ' O ' ' B' ' 26' ' ' LEU . 28.0 m -141.12 110.93 6.5 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 116.419 -0.355 . . . . 75.11 110.183 -177.719 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 21' ' ' SER . . . . . 0.573 ' HB2' ' HB3' ' B' ' 26' ' ' LEU . 9.3 t -65.87 107.95 2.0 Allowed 'General case' 0 C--O 1.251 1.154 0 N-CA-C 106.563 -1.644 . . . . 74.21 106.563 176.57 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 22' ' ' HIS . . . . . 0.429 ' H ' ' HA ' ' B' ' 9' ' ' ALA . 23.4 t60 -58.73 -21.49 55.28 Favored 'General case' 0 N--CA 1.466 0.351 0 O-C-N 126.77 2.544 . . . . 73.12 112.723 -163.349 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . 0.476 ' OD2' ' HE3' ' B' ' 25' ' ' LYS . 32.6 p30 -80.5 18.37 0.94 Allowed 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.457 0.646 . . . . 63.54 110.029 177.228 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 24' ' ' GLN . . . . . 0.401 ' H ' ' C ' ' B' ' 22' ' ' HIS . 34.5 mm-40 72.05 23.01 3.55 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 114.637 -1.165 . . . . 71.43 112.035 170.238 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . 0.476 ' HE3' ' OD2' ' B' ' 23' ' ' ASP . 16.8 ptpt -98.54 -26.14 14.52 Favored 'General case' 0 C--O 1.235 0.294 0 C-N-CA 120.492 -0.483 . . . . 41.25 111.601 178.074 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . 0.573 ' HB3' ' HB2' ' B' ' 21' ' ' SER . 60.7 tp -134.15 138.92 45.53 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 118.882 -1.127 . . . . 73.34 112.327 -176.68 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -150.86 92.66 1.85 Allowed 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 115.004 -0.998 . . . . 53.33 110.595 -177.7 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 3.3 m -140.79 178.09 3.34 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.497 0 CA-C-O 121.375 0.607 . . . . 74.12 111.944 -179.474 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . 0.653 ' HB3' ' HZ3' ' B' ' 29' ' ' LYS . 1.2 ttpm? -134.24 146.28 49.94 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 115.13 -0.941 . . . . 74.12 110.362 179.656 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . 0.805 ' HA ' ' H ' ' B' ' 44' ' ' THR . 0.0 OUTLIER -129.3 169.89 14.3 Favored 'General case' 0 C--O 1.252 1.19 0 N-CA-C 109.669 -0.493 . . . . 72.32 109.669 173.046 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 31' ' ' SER . . . . . 0.502 ' HA ' ' HB3' ' B' ' 16' ' ' ASP . 15.7 p -168.33 149.09 4.86 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 115.934 -0.576 . . . . 62.35 112.004 -171.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.68 130.19 85.24 Favored Pre-proline 0 C--O 1.237 0.42 0 CA-C-N 115.453 -0.794 . . . . 75.13 110.062 172.721 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 33' ' ' PRO . . . . . . . . . . . . . 75.4 Cg_exo -50.18 105.72 0.11 Allowed 'Trans proline' 0 C--N 1.35 0.657 0 C-N-CA 123.332 2.688 . . . . 72.21 113.618 -174.631 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 9.8 mmm180 -59.14 -14.27 9.78 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 115.808 -0.633 . . . . 71.43 110.698 172.596 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . 0.623 ' HG2' ' HE2' ' A' ' 5' ' ' TYR . 1.0 OUTLIER -49.5 -46.08 47.87 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 115.742 -0.663 . . . . 72.42 110.763 172.848 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . 0.46 HD13 ' HB2' ' A' ' 5' ' ' TYR . 67.2 mt -100.47 16.09 25.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.635 -0.711 . . . . 63.52 109.96 -179.601 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 72.32 44.05 44.15 Favored Glycine 0 N--CA 1.449 -0.488 0 CA-C-N 115.792 -0.64 . . . . 51.22 111.542 -175.077 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . 0.414 ' O ' ' HB3' ' B' ' 39' ' ' ALA . . . -59.9 -25.88 62.27 Favored Glycine 0 C--N 1.335 0.499 0 C-N-CA 121.182 -0.532 . . . . 64.12 112.466 -177.24 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 39' ' ' ALA . . . . . 0.414 ' HB3' ' O ' ' B' ' 38' ' ' GLY . . . 77.44 6.07 3.01 Favored 'General case' 0 CA--C 1.503 -0.857 0 CA-C-O 122.671 1.224 . . . . 71.25 108.893 175.161 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -75.17 -96.46 0.13 Allowed Glycine 0 N--CA 1.415 -2.708 0 CA-C-N 112.169 -2.287 . . . . 53.13 112.581 179.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . 0.47 ' HB1' ' CG ' ' B' ' 15' ' ' ARG . . . -172.4 -171.85 0.86 Allowed 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 122.627 0.371 . . . . 75.21 110.23 -176.709 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -107.6 55.22 0.65 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.621 0.724 . . . . 74.14 109.39 178.431 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -101.26 -116.75 4.1 Favored Glycine 0 CA--C 1.519 0.283 0 CA-C-N 114.547 -1.206 . . . . 72.12 112.019 179.406 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 44' ' ' THR . . . . . 0.805 ' H ' ' HA ' ' B' ' 30' ' ' LEU . 32.7 m -125.09 147.22 49.09 Favored 'General case' 0 N--CA 1.453 -0.286 0 N-CA-C 109.447 -0.575 . . . . 70.51 109.447 179.044 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 45' ' ' ASN . . . . . 0.439 ' HA ' ' HD3' ' B' ' 46' ' ' PRO . 1.6 m-20 -81.52 135.32 49.91 Favored Pre-proline 0 C--N 1.328 -0.356 0 N-CA-C 109.922 -0.399 . . . . 71.14 109.922 -178.55 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 46' ' ' PRO . . . . . 0.439 ' HD3' ' HA ' ' B' ' 45' ' ' ASN . 40.8 Cg_exo -57.78 -56.11 1.92 Allowed 'Trans proline' 0 C--N 1.352 0.739 0 C-N-CA 123.268 2.645 . . . . 54.41 113.64 -174.251 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 47' ' ' GLU . . . . . 0.453 ' HB2' HG21 ' B' ' 83' ' ' VAL . 0.0 OUTLIER -68.57 -31.39 70.57 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-O 121.148 0.499 . . . . 73.03 109.933 -176.552 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . 0.432 ' NE2' ' OG ' ' A' ' 21' ' ' SER . 62.1 tt0 -64.81 -40.65 95.55 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.26 -0.882 . . . . 65.22 110.019 175.594 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -64.31 -48.91 73.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.478 -0.783 . . . . 73.15 109.599 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 39.5 t80 -59.44 -45.89 90.29 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 116.379 -0.373 . . . . 74.53 110.558 177.535 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.91 -52.97 63.09 Favored 'General case' 0 C--O 1.237 0.423 0 CA-C-O 120.785 0.326 . . . . 63.22 111.339 -178.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.65 -52.32 66.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.077 -0.51 . . . . 74.31 111.035 179.666 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . 0.452 ' HA3' HD11 ' A' ' 49' ' ' LEU . . . -61.55 -38.26 95.53 Favored Glycine 0 C--N 1.331 0.267 0 C-N-CA 121.111 -0.566 . . . . 73.22 112.42 -178.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 54' ' ' TYR . . . . . 0.417 ' OH ' HG22 ' B' ' 128' ' ' THR . 2.8 t80 -65.3 -51.67 59.18 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 122.626 0.37 . . . . 73.43 110.664 179.529 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 55' ' ' SER . . . . . 0.572 ' HB3' ' HB2' ' B' ' 81' ' ' ALA . 19.1 p -58.65 -47.82 83.14 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.887 0.375 . . . . 71.55 110.477 -179.218 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 56' ' ' ALA . . . . . 0.436 ' HB3' HD11 ' A' ' 30' ' ' LEU . . . -61.63 -40.76 96.03 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 115.916 -0.584 . . . . 72.32 110.906 177.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 57' ' ' CYS . . . . . . . . . . . . . 52.5 t -65.32 -36.39 83.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.043 -0.526 . . . . 72.4 110.009 178.654 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 42.3 t80 -69.05 -30.33 68.66 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 115.756 -0.656 . . . . 61.11 109.885 -176.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -61.74 -52.31 64.78 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-N 115.51 -0.768 . . . . 73.31 109.036 177.001 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 60' ' ' SER . . . . . 0.461 ' O ' ' HB2' ' B' ' 63' ' ' LYS . 46.7 t -61.12 -42.12 97.96 Favored 'General case' 0 C--O 1.242 0.692 0 CA-C-O 121.352 0.596 . . . . 73.23 110.132 177.258 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 61' ' ' ALA . . . . . 0.477 ' O ' HG21 ' B' ' 65' ' ' VAL . . . -54.37 -45.72 72.85 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.783 -0.644 . . . . 44.1 110.242 177.067 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 62' ' ' MET . . . . . 0.496 ' HA ' ' HB ' ' B' ' 65' ' ' VAL . 19.7 mtp -71.76 -25.1 61.9 Favored 'General case' 0 N--CA 1.461 0.097 0 CA-C-N 116.436 -0.347 . . . . 71.0 111.344 179.352 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . 0.461 ' HB2' ' O ' ' B' ' 60' ' ' SER . 72.3 mmtt -60.72 -47.89 84.25 Favored 'General case' 0 C--O 1.233 0.217 0 N-CA-C 109.022 -0.733 . . . . 72.03 109.022 172.868 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 29.1 t80 -68.32 -44.77 74.64 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 115.792 -0.64 . . . . 73.11 110.897 176.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 65' ' ' VAL . . . . . 0.496 ' HB ' ' HA ' ' B' ' 62' ' ' MET . 46.4 t -56.36 -50.74 70.49 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.208 0 CA-C-O 120.849 0.357 . . . . 75.05 110.783 -179.602 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -56.43 -32.8 65.23 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.285 -0.416 . . . . 74.13 110.463 179.703 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -69.51 -35.87 76.0 Favored Glycine 0 N--CA 1.452 -0.291 0 CA-C-N 115.661 -0.699 . . . . 75.04 112.209 -178.474 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -91.5 -13.66 31.8 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.381 0.61 . . . . 64.5 109.394 -176.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 15.9 m-80 -95.29 2.27 54.73 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.104 -0.953 . . . . 65.21 110.744 176.237 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 2.5 mptp? 60.88 26.05 15.95 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 115.795 -0.639 . . . . 73.12 111.492 175.029 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -117.78 165.55 13.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.711 -0.677 . . . . 74.24 110.101 179.576 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 34.5 p -120.78 141.33 50.61 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.402 -0.363 . . . . 74.12 110.561 179.331 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 73' ' ' LEU . . . . . 0.436 HD13 ' HE3' ' B' ' 62' ' ' MET . 96.9 mt -109.39 137.65 20.32 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-N 116.222 -0.445 . . . . 75.15 110.003 177.307 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 74' ' ' PRO . . . . . 0.476 ' HD2' HD11 ' B' ' 103' ' ' LEU . 39.7 Cg_exo -62.56 151.81 81.14 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.728 2.285 . . . . 74.32 111.98 177.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -77.13 -24.0 51.68 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.35 0.595 . . . . 71.53 111.324 -179.03 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -82.76 23.47 0.81 Allowed 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.171 -0.922 . . . . 60.22 111.874 -173.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 77' ' ' THR . . . . . . . . . . . . . 7.9 t -94.94 159.94 14.8 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.088 0.471 . . . . 73.25 111.78 -175.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 25.6 m -154.54 150.84 28.19 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 115.886 -0.597 . . . . 71.23 109.725 -178.453 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 73.5 t -125.17 117.93 51.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 N-CA-C 109.995 -0.372 . . . . 54.24 109.995 175.244 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 21.2 m -101.58 110.49 22.49 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 120.949 0.404 . . . . 75.2 110.44 -179.3 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 81' ' ' ALA . . . . . 0.572 ' HB2' ' HB3' ' B' ' 55' ' ' SER . . . -94.24 107.58 19.51 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.796 -0.638 . . . . 73.43 110.854 -179.042 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 82' ' ' GLU . . . . . 0.598 ' HB3' ' HB3' ' B' ' 98' ' ' GLU . 35.2 tt0 -90.8 139.95 30.26 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.17 -0.678 . . . . 71.23 109.17 172.789 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . 0.453 HG21 ' HB2' ' B' ' 47' ' ' GLU . 9.0 p -142.42 136.64 28.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-O 120.811 0.339 . . . . 71.44 110.211 179.736 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 84' ' ' GLY . . . . . . . . . . . . . . . -140.57 165.53 26.09 Favored Glycine 0 N--CA 1.447 -0.594 0 N-CA-C 111.807 -0.517 . . . . 52.45 111.807 178.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -145.05 131.21 14.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 N-CA-C 109.546 -0.539 . . . . 73.1 109.546 -178.144 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 86' ' ' GLY . . . . . 0.415 ' HA2' ' HG ' ' A' ' 4' ' ' LEU . . . -155.63 169.63 33.46 Favored Glycine 0 N--CA 1.452 -0.256 0 CA-C-N 115.477 -0.783 . . . . 52.3 111.237 177.896 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 87' ' ' PRO . . . . . 0.735 ' HD3' ' HG ' ' A' ' 4' ' ' LEU . 5.4 Cg_exo -79.22 124.17 5.87 Favored 'Trans proline' 0 N--CA 1.458 -0.61 0 C-N-CA 122.736 2.291 . . . . 70.05 110.959 176.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 88' ' ' ASN . . . . . . . . . . . . . 36.5 p30 -76.45 167.4 21.91 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.433 -0.348 . . . . 72.3 110.393 178.792 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -66.65 -15.74 63.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 71.21 111.426 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -78.35 -21.21 49.84 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-N 115.8 -0.636 . . . . 74.05 111.52 -177.456 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.2 35.14 3.47 Favored Glycine 0 CA--C 1.517 0.163 0 CA-C-N 116.212 -0.449 . . . . 72.2 112.711 177.408 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 92' ' ' GLY . . . . . 0.447 ' O ' ' HA ' ' B' ' 87' ' ' PRO . . . -146.07 -166.75 12.21 Favored Glycine 0 N--CA 1.452 -0.27 0 N-CA-C 111.086 -0.806 . . . . 70.13 111.086 177.288 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 93' ' ' PHE . . . . . . . . . . . . . 54.0 m-85 -97.72 149.3 22.45 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.612 -0.514 . . . . 73.12 109.612 178.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -144.5 140.36 28.83 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.441 -0.345 . . . . 62.21 110.136 -177.146 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -100.09 127.93 46.26 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.676 -0.693 . . . . 74.21 109.932 179.171 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 96' ' ' ASP . . . . . 0.581 ' HB2' ' SD ' ' A' ' 1' ' ' MET . 18.4 t70 -109.88 110.2 21.08 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 108.317 -0.994 . . . . 73.53 108.317 177.447 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 97' ' ' VAL . . . . . 0.782 ' HB ' HG23 ' B' ' 134' ' ' VAL . 47.3 t -116.94 146.52 21.25 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 CA-C-N 116.217 -0.447 . . . . 65.34 110.616 -174.411 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 98' ' ' GLU . . . . . 0.598 ' HB3' ' HB3' ' B' ' 82' ' ' GLU . 34.3 tt0 -139.98 109.0 6.03 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.114 -0.493 . . . . 74.42 109.72 -178.621 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 96.0 mt -96.91 110.8 23.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.489 -0.323 . . . . 75.14 110.322 -178.191 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 100' ' ' ARG . . . . . 0.444 ' HA ' ' O ' ' B' ' 137' ' ' VAL . 97.4 mtt180 -99.37 118.15 35.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.105 -0.498 . . . . 70.24 110.012 -178.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 101' ' ' VAL . . . . . . . . . . . . . 92.3 t -100.81 100.23 9.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 116.113 -0.494 . . . . 60.12 110.16 -177.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 102' ' ' ALA . . . . . 0.477 ' HA ' ' HB3' ' B' ' 139' ' ' ALA . . . -91.82 101.23 13.82 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 108.951 -0.759 . . . . 53.32 108.951 177.013 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 103' ' ' LEU . . . . . 0.527 HD13 ' HD2' ' B' ' 104' ' ' PRO . 14.5 tp -124.19 106.74 30.62 Favored Pre-proline 0 C--N 1.325 -0.495 0 N-CA-C 108.924 -0.769 . . . . 72.24 108.924 -176.258 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 104' ' ' PRO . . . . . 0.527 ' HD2' HD13 ' B' ' 103' ' ' LEU . 69.5 Cg_endo -72.88 153.65 53.14 Favored 'Trans proline' 0 C--N 1.347 0.488 0 C-N-CA 123.199 2.599 . . . . 74.24 112.969 -173.222 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 105' ' ' GLY . . . . . . . . . . . . . . . 72.36 15.25 77.1 Favored Glycine 0 C--N 1.331 0.252 0 CA-C-N 116.008 -0.542 . . . . 72.34 112.469 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 106' ' ' LEU . . . . . 0.507 HD22 ' HA ' ' B' ' 111' ' ' ALA . 21.8 tp -130.98 144.23 51.32 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 122.794 0.438 . . . . 65.44 110.631 -174.433 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 107' ' ' ASP . . . . . 0.423 ' O ' ' HB1' ' B' ' 111' ' ' ALA . 2.0 t70 -74.82 163.26 27.86 Favored 'General case' 0 CA--C 1.511 -0.548 0 CA-C-O 120.844 0.354 . . . . 63.12 110.784 178.437 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 108' ' ' ALA . . . . . 0.506 ' O ' ' HG3' ' B' ' 112' ' ' LYS . . . -68.55 -45.32 72.46 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.298 -0.865 . . . . 74.55 110.023 170.411 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -60.45 -49.54 77.16 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.67 -0.695 . . . . 64.51 110.469 -176.509 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 110' ' ' ALA . . . . . 0.505 ' O ' ' HG ' ' B' ' 114' ' ' LEU . . . -69.34 -41.61 76.41 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.516 -0.765 . . . . 72.03 110.096 179.147 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 111' ' ' ALA . . . . . 0.507 ' HA ' HD22 ' B' ' 106' ' ' LEU . . . -54.91 -41.68 71.25 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 115.96 -0.564 . . . . 64.14 111.292 179.631 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 112' ' ' LYS . . . . . 0.506 ' HG3' ' O ' ' B' ' 108' ' ' ALA . 49.2 mtmt -54.24 -49.48 69.38 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.797 0.332 . . . . 74.45 111.122 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 113' ' ' THR . . . . . 0.471 HG22 ' O ' ' B' ' 110' ' ' ALA . 1.1 t -70.48 -34.2 72.11 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.237 -0.438 . . . . 72.03 110.463 -177.184 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 114' ' ' LEU . . . . . 0.505 ' HG ' ' O ' ' B' ' 110' ' ' ALA . 43.0 mt -66.17 -39.04 89.46 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 121.149 0.5 . . . . 72.05 109.913 177.433 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 115' ' ' VAL . . . . . 0.555 HG21 HG13 ' B' ' 138' ' ' VAL . 76.9 t -66.77 -37.79 80.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.695 -0.684 . . . . 63.55 110.065 175.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -58.82 -60.71 3.41 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.019 -0.537 . . . . 75.43 110.958 177.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 117' ' ' ARG . . . . . . . . . . . . . 14.2 ptm180 -62.28 -39.65 93.63 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 115.977 -0.556 . . . . 70.2 110.717 -177.651 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -60.33 -39.36 86.81 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.999 0.428 . . . . 61.11 110.204 176.232 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 59.2 m80 -88.99 10.76 20.35 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 115.977 -0.556 . . . . 74.31 111.227 178.582 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 10.1 t60 -108.49 -40.22 5.18 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.17 -0.468 . . . . 73.32 110.034 179.046 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 34.8 m -86.47 -34.42 7.92 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.249 0 CA-C-N 116.079 -0.51 . . . . 73.14 112.113 -175.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 122' ' ' CYS . . . . . 0.415 ' HA ' ' HD3' ' B' ' 123' ' ' PRO . 60.8 m -77.95 135.1 63.4 Favored Pre-proline 0 CA--C 1.537 0.46 0 CA-C-O 120.531 0.205 . . . . 74.53 110.762 -177.735 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 123' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' B' ' 122' ' ' CYS . 52.6 Cg_exo -54.2 -63.19 0.23 Allowed 'Trans proline' 0 C--N 1.349 0.604 0 C-N-CA 123.102 2.535 . . . . 65.25 112.904 -176.673 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 124' ' ' TYR . . . . . 0.448 ' O ' ' HB ' ' B' ' 128' ' ' THR . 28.6 m-85 . . . . . 0 N--CA 1.465 0.321 0 CA-C-N 116.136 -0.484 . . . . 65.35 111.406 -176.595 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 128' ' ' THR . . . . . 0.492 ' HG1' HG21 ' B' ' 134' ' ' VAL . 1.2 t . . . . . 0 CA--C 1.517 -0.289 0 N-CA-C 109.479 -0.563 . . . . 64.4 109.479 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 129' ' ' ARG . . . . . . . . . . . . . 13.9 ptm180 -102.49 -45.36 5.09 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.634 -0.712 . . . . 75.21 109.35 -175.222 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 130' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -78.9 -28.38 43.98 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.182 -0.917 . . . . 74.14 111.432 -179.175 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 131' ' ' ASN . . . . . 0.405 HD21 ' C ' ' B' ' 131' ' ' ASN . 0.2 OUTLIER -102.81 -39.41 7.0 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 116.146 -0.479 . . . . 75.43 110.78 -174.67 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 132' ' ' VAL . . . . . . . . . . . . . 34.1 t -115.35 157.91 15.89 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 CA-C-O 120.941 0.4 . . . . 62.31 111.186 -172.048 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 133' ' ' ALA . . . . . . . . . . . . . . . -84.44 90.32 7.58 Favored 'General case' 0 C--O 1.241 0.63 0 CA-C-O 121.655 0.741 . . . . 72.23 110.449 178.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 134' ' ' VAL . . . . . 0.782 HG23 ' HB ' ' B' ' 97' ' ' VAL . 59.1 t -127.74 122.97 60.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 114.846 -1.07 . . . . 64.53 110.958 -176.806 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 135' ' ' ARG . . . . . 0.406 HH12 ' CG ' ' B' ' 96' ' ' ASP . 87.5 mtm-85 -84.87 119.52 25.43 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.31 -0.404 . . . . 74.32 110.075 175.009 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 73.9 mt -85.86 104.65 15.72 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-O 121.182 0.515 . . . . 72.41 109.785 174.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 137' ' ' VAL . . . . . 0.444 ' O ' ' HA ' ' B' ' 100' ' ' ARG . 0.1 OUTLIER -115.95 127.85 73.41 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-N 114.825 -1.08 . . . . 74.23 109.778 -176.511 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 138' ' ' VAL . . . . . 0.555 HG13 HG21 ' B' ' 115' ' ' VAL . 3.6 m -100.38 138.27 25.23 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 N-CA-C 109.478 -0.564 . . . . 70.52 109.478 -178.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 139' ' ' ALA . . . . . 0.477 ' HB3' ' HA ' ' B' ' 102' ' ' ALA . . . . . . . . 0 C--O 1.25 1.101 0 CA-C-O 118.578 -0.725 . . . . 71.35 110.67 -172.494 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.5 ptt? . . . . . 0 N--CA 1.483 1.177 0 CA-C-O 120.726 0.298 . . . . 71.43 110.293 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 41.7 t30 -69.8 76.54 0.45 Allowed 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 116.089 -0.505 . . . . 75.52 110.868 176.644 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.418 HG23 ' HB2' ' A' ' 6' ' ' LYS . 30.8 mm -73.82 133.96 30.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 116.031 -0.532 . . . . 51.02 111.235 174.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.648 ' HG ' ' HD3' ' B' ' 87' ' ' PRO . 89.6 mt -89.85 -49.5 6.58 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.58 -0.737 . . . . 74.21 109.848 174.263 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 42.1 t80 -131.99 131.48 42.6 Favored 'General case' 0 CA--C 1.517 -0.293 0 CA-C-N 115.903 -0.589 . . . . 73.42 109.652 -177.068 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.418 ' HB2' HG23 ' A' ' 3' ' ' ILE . 37.8 ttmt -136.05 143.72 44.85 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.456 -0.338 . . . . 62.42 110.663 176.627 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 10.3 t -147.71 146.01 29.09 Favored 'General case' 0 C--O 1.239 0.501 0 CA-C-N 115.809 -0.632 . . . . 73.02 109.458 176.597 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -112.07 134.63 53.5 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.141 0.496 . . . . 64.34 110.954 -178.388 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.403 ' HA ' ' HA ' ' A' ' 21' ' ' SER . . . -129.29 121.79 28.26 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.883 -0.598 . . . . 73.03 109.486 177.097 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.546 ' HA ' ' HA ' ' B' ' 80' ' ' THR . 14.5 t -99.39 146.09 26.68 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.708 -0.478 . . . . 73.43 109.708 -177.81 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 26.6 p -130.47 113.51 14.38 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 121.036 0.446 . . . . 74.42 110.379 -178.117 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.5 m -92.88 154.91 17.93 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.811 -0.631 . . . . 72.12 110.438 -178.511 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -81.03 77.72 1.99 Allowed Glycine 0 N--CA 1.447 -0.625 0 C-N-CA 120.748 -0.739 . . . . 62.44 111.884 176.7 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -61.76 -129.17 0.01 OUTLIER Glycine 0 CA--C 1.527 0.815 0 C-N-CA 121.05 -0.595 . . . . 62.02 112.426 172.07 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 26.5 tpt180 -70.36 -51.86 26.86 Favored 'General case' 0 N--CA 1.465 0.276 0 O-C-N 122.247 -0.56 . . . . 73.04 110.081 177.127 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.535 ' HB3' ' HA ' ' A' ' 31' ' ' SER . 17.2 t70 -125.56 -42.33 1.96 Allowed 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 108.912 -0.773 . . . . 74.22 108.912 175.651 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -164.28 152.71 22.63 Favored Glycine 0 C--N 1.341 0.842 0 C-N-CA 119.946 -1.121 . . . . 73.12 112.083 167.392 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.499 ' HA ' ' HA ' ' A' ' 29' ' ' LYS . 65.8 ttt180 -126.42 150.43 48.64 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 108.667 -0.864 . . . . 73.24 108.667 173.054 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.498 ' HB3' ' HB2' ' B' ' 52' ' ' ALA . . . -140.13 123.8 17.26 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.658 -0.497 . . . . 71.12 109.658 -179.125 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 62.5 m -142.42 114.82 8.42 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.028 -0.533 . . . . 65.23 110.976 -173.664 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.612 ' HB3' ' N ' ' A' ' 26' ' ' LEU . 27.5 t -71.1 111.45 6.47 Favored 'General case' 0 C--O 1.245 0.83 0 N-CA-C 107.38 -1.341 . . . . 62.3 107.38 173.884 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 59.2 t-80 -55.34 -24.47 29.34 Favored 'General case' 0 N--CA 1.466 0.354 0 O-C-N 125.737 1.898 . . . . 71.44 111.894 -166.483 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.469 ' HB3' ' HE2' ' A' ' 25' ' ' LYS . 30.7 t70 -80.69 15.35 1.75 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.153 -0.476 . . . . 73.43 110.246 -179.045 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 31.7 mm-40 68.73 17.04 8.91 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 115.756 -0.656 . . . . 72.53 110.329 -178.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.494 ' HE3' ' OE1' ' B' ' 48' ' ' GLN . 56.5 mtmt -85.91 -13.29 48.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.698 -0.683 . . . . 73.44 110.851 179.1 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.612 ' N ' ' HB3' ' A' ' 21' ' ' SER . 42.7 tp -156.96 146.22 20.31 Favored 'General case' 0 C--O 1.222 -0.357 0 C-N-CA 120.282 -0.567 . . . . 74.42 111.009 172.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -161.26 99.78 1.19 Allowed 'General case' 0 N--CA 1.466 0.328 0 O-C-N 123.447 0.467 . . . . 74.5 110.661 174.685 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 2.7 m -148.86 177.81 0.82 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.61 0 C-N-CA 122.734 0.413 . . . . 62.12 111.273 176.768 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.499 ' HA ' ' HA ' ' A' ' 18' ' ' ARG . 0.0 OUTLIER -124.59 142.4 51.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.806 -0.634 . . . . 62.42 110.167 177.771 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.565 ' HB2' ' O ' ' A' ' 44' ' ' THR . 0.0 OUTLIER -124.5 166.22 16.42 Favored 'General case' 0 C--O 1.25 1.087 0 CA-C-N 116.047 -0.524 . . . . 73.21 109.618 175.316 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.535 ' HA ' ' HB3' ' A' ' 16' ' ' ASP . 58.4 p -173.74 134.15 0.47 Allowed 'General case' 0 N--CA 1.445 -0.694 0 CA-C-N 115.959 -0.564 . . . . 75.34 111.504 -172.754 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -74.16 138.95 75.52 Favored Pre-proline 0 C--N 1.322 -0.614 0 N-CA-C 108.715 -0.846 . . . . 52.21 108.715 168.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -73.12 40.64 0.52 Allowed 'Trans proline' 0 CA--C 1.535 0.537 0 C-N-CA 122.726 2.284 . . . . 73.33 111.838 178.539 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.516 ' O ' ' N ' ' A' ' 36' ' ' LEU . 9.4 ttt180 57.48 -88.73 0.02 OUTLIER 'General case' 0 N--CA 1.449 -0.509 0 C-N-CA 123.674 0.79 . . . . 64.52 110.824 -176.125 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.403 ' H ' ' HB3' ' A' ' 34' ' ' ARG . 16.2 mm-40 51.27 -75.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 O-C-N 124.21 0.944 . . . . 75.14 112.708 178.45 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.516 ' N ' ' O ' ' A' ' 34' ' ' ARG . 40.3 mt -85.87 -27.44 25.04 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.715 -0.675 . . . . 73.53 109.894 -171.793 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 149.45 48.47 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.27 0 CA-C-N 115.741 -0.663 . . . . 72.22 112.627 176.685 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -102.76 -135.92 8.93 Favored Glycine 0 N--CA 1.447 -0.567 0 C-N-CA 120.288 -0.958 . . . . 73.44 111.211 178.708 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -108.78 -36.81 6.04 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.07 0.462 . . . . 63.22 110.619 178.494 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 83.36 96.22 0.58 Allowed Glycine 0 N--CA 1.451 -0.362 0 CA-C-N 115.901 -0.591 . . . . 45.53 112.183 -178.478 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -158.57 158.69 34.42 Favored 'General case' 0 C--O 1.237 0.439 0 CA-C-O 120.842 0.353 . . . . 51.12 111.134 178.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -76.12 83.72 2.96 Favored 'General case' 0 C--O 1.238 0.476 0 CA-C-O 122.037 0.922 . . . . 71.23 110.524 178.564 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -145.7 -163.28 10.14 Favored Glycine 0 C--N 1.313 -0.712 0 CA-C-N 114.937 -1.028 . . . . 55.55 111.546 177.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.565 ' O ' ' HB2' ' A' ' 30' ' ' LEU . 28.3 m -100.78 134.69 43.37 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.584 0.231 . . . . 74.01 110.784 -179.016 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -63.93 128.22 92.67 Favored Pre-proline 0 N--CA 1.463 0.208 0 N-CA-C 109.612 -0.514 . . . . 72.33 109.612 169.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 8.3 Cg_endo -51.23 -45.3 37.85 Favored 'Trans proline' 0 CA--C 1.536 0.575 0 C-N-CA 122.737 2.291 . . . . 63.04 112.473 177.456 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -60.25 -44.35 95.35 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-O 121.681 0.753 . . . . 62.13 109.023 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.406 ' HA ' HG13 ' A' ' 83' ' ' VAL . 7.2 tt0 -61.58 -38.29 86.99 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 114.479 -1.237 . . . . 74.41 110.769 178.251 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -64.13 -49.45 72.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.605 -0.725 . . . . 71.11 109.872 -178.337 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 46.9 t80 -64.02 -48.24 77.09 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 116.25 -0.432 . . . . 65.21 110.827 178.645 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -53.5 -48.88 68.58 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-O 120.728 0.299 . . . . 52.03 111.446 177.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -61.58 -52.67 63.45 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-O 120.941 0.4 . . . . 73.32 110.625 -179.642 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -62.83 -34.83 90.88 Favored Glycine 0 C--O 1.226 -0.361 0 CA-C-N 115.738 -0.664 . . . . 45.35 112.559 -179.093 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -70.84 -43.95 67.47 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 122.618 0.367 . . . . 74.55 110.616 -177.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.525 ' HB3' ' HB3' ' A' ' 81' ' ' ALA . 32.7 p -64.13 -48.17 77.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.798 0.332 . . . . 73.1 110.128 178.169 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.406 ' HB3' HD23 ' B' ' 30' ' ' LEU . . . -61.44 -39.24 90.11 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 115.974 -0.557 . . . . 72.41 110.609 176.673 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 53.5 t -65.41 -36.13 83.01 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.072 -0.513 . . . . 74.4 110.056 178.045 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 12.4 t80 -63.39 -29.76 71.01 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.175 -0.466 . . . . 74.24 109.885 -178.503 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.438 HD21 HG23 ' A' ' 79' ' ' VAL . 95.7 mt -64.42 -54.3 34.8 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 116.046 -0.525 . . . . 74.12 109.822 174.549 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 32.0 t -57.47 -39.35 76.17 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 115.75 -0.659 . . . . 74.4 110.31 177.473 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.404 ' O ' HG22 ' A' ' 65' ' ' VAL . . . -62.03 -48.24 81.14 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.836 -0.62 . . . . 64.15 110.096 178.675 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' MET . . . . . 0.426 ' SD ' ' HB2' ' A' ' 118' ' ' ALA . 83.4 mmm -65.5 -25.87 67.67 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.297 -0.411 . . . . 61.32 110.755 178.144 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.13 -47.38 74.29 Favored 'General case' 0 CA--C 1.531 0.214 0 N-CA-C 108.598 -0.89 . . . . 62.32 108.598 175.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 74.7 t80 -65.61 -44.69 85.77 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 115.54 -0.754 . . . . 70.35 110.5 177.336 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.404 HG22 ' O ' ' A' ' 61' ' ' ALA . 53.3 t -57.12 -48.92 81.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.116 -0.493 . . . . 51.41 110.359 177.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.41 -30.41 68.44 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.083 0.468 . . . . 55.45 110.149 177.21 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -72.15 -30.84 64.64 Favored Glycine 0 N--CA 1.454 -0.11 0 CA-C-N 115.463 -0.79 . . . . 65.01 112.205 -178.165 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -94.08 -16.78 23.49 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 109.307 -0.627 . . . . 73.33 109.307 -179.383 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 17.5 m-80 -97.19 5.19 50.53 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.237 -0.892 . . . . 73.35 110.095 177.166 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 22.9 mmtm 60.45 22.32 11.96 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 114.961 -1.018 . . . . 70.5 111.366 171.615 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -113.76 169.02 9.29 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.843 -0.617 . . . . 65.11 110.904 -177.551 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 32.3 p -123.81 137.87 54.59 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.913 -0.585 . . . . 71.13 110.618 178.324 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.41 ' HA ' ' HD3' ' A' ' 74' ' ' PRO . 94.4 mt -109.38 137.98 20.4 Favored Pre-proline 0 C--N 1.325 -0.492 0 CA-C-N 116.048 -0.524 . . . . 64.52 110.255 178.374 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . 0.411 ' HD2' HD11 ' A' ' 103' ' ' LEU . 37.3 Cg_exo -58.09 131.34 42.81 Favored 'Trans proline' 0 C--N 1.349 0.598 0 C-N-CA 122.747 2.298 . . . . 75.32 112.42 -178.563 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -77.32 -1.51 30.21 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 121.008 0.432 . . . . 74.43 111.886 -177.295 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -87.31 5.01 40.55 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.345 0.593 . . . . 72.44 110.855 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.508 ' HB ' HD13 ' A' ' 103' ' ' LEU . 9.9 t -75.81 165.25 25.29 Favored 'General case' 0 C--O 1.238 0.451 0 CA-C-N 115.754 -0.657 . . . . 74.0 112.315 -174.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.524 HG23 ' HA ' ' B' ' 12' ' ' THR . 23.6 m -158.18 149.39 21.05 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 115.517 -0.765 . . . . 72.13 109.455 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.438 HG23 HD21 ' A' ' 59' ' ' LEU . 70.1 t -130.67 126.49 60.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 N-CA-C 110.123 -0.325 . . . . 73.54 110.123 177.727 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 29.1 m -107.43 110.41 22.37 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.892 0.377 . . . . 61.0 110.688 179.106 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.525 ' HB3' ' HB3' ' A' ' 55' ' ' SER . . . -93.48 104.78 16.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.041 -0.527 . . . . 75.0 109.809 177.878 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.465 ' HG2' ' HD3' ' B' ' 6' ' ' LYS . 32.6 tt0 -100.94 107.93 19.54 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.103 -0.703 . . . . 75.53 109.103 178.714 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.597 HG22 HG21 ' A' ' 97' ' ' VAL . 7.5 p -106.35 140.68 23.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.958 -0.565 . . . . 74.25 110.704 -173.449 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -145.35 170.96 26.57 Favored Glycine 0 N--CA 1.443 -0.885 0 CA-C-N 116.037 -0.529 . . . . 64.22 111.998 179.275 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.456 HD12 ' CD2' ' A' ' 93' ' ' PHE . 0.0 OUTLIER -146.3 139.81 20.55 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 N-CA-C 109.756 -0.461 . . . . 71.32 109.756 -178.046 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -149.68 169.9 29.85 Favored Glycine 0 CA--C 1.517 0.213 0 N-CA-C 110.903 -0.879 . . . . 64.2 110.903 -179.201 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . 0.635 ' HD3' ' HG ' ' B' ' 4' ' ' LEU . 74.5 Cg_endo -73.45 142.04 32.54 Favored 'Trans proline' 0 C--O 1.234 0.305 0 C-N-CA 122.38 2.053 . . . . 75.13 112.054 -176.499 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 49.9 t-20 -99.06 146.03 26.5 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.21 -0.663 . . . . 63.43 109.21 178.551 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -63.92 -15.72 59.77 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-O 120.9 0.381 . . . . 74.31 111.286 -178.489 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -67.32 -25.15 65.87 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-O 121.255 0.55 . . . . 62.35 110.055 174.368 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.22 26.57 6.55 Favored Glycine 0 N--CA 1.451 -0.333 0 CA-C-N 115.507 -0.769 . . . . 52.42 111.664 -176.03 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -132.7 -140.77 4.5 Favored Glycine 0 N--CA 1.45 -0.406 0 N-CA-C 111.193 -0.763 . . . . 74.12 111.193 177.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.456 ' CD2' HD12 ' A' ' 85' ' ' ILE . 43.4 m-85 -119.07 153.8 34.18 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.038 0.447 . . . . 72.25 110.562 -179.86 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -137.41 131.15 31.6 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.492 -0.776 . . . . 73.43 109.18 -179.49 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -95.62 132.29 40.93 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.124 0.488 . . . . 75.45 111.346 -174.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . 0.557 ' HB2' ' SD ' ' B' ' 1' ' ' MET . 13.8 t70 -116.39 110.32 18.52 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.065 -0.97 . . . . 62.1 108.791 178.806 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.743 ' HB ' HG21 ' A' ' 134' ' ' VAL . 46.5 t -120.3 110.72 29.62 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 C-N-CA 120.823 -0.351 . . . . 41.42 110.555 -177.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -98.28 107.58 20.09 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.715 -0.476 . . . . 52.25 109.715 178.489 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 14.7 tp -97.64 108.65 21.42 Favored 'General case' 0 C--O 1.235 0.332 0 N-CA-C 109.614 -0.513 . . . . 73.33 109.614 -176.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . 0.547 ' HA ' ' O ' ' A' ' 137' ' ' VAL . 64.6 mtt180 -99.43 111.76 24.07 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.033 -0.53 . . . . 73.43 110.545 -175.446 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 41.4 t -101.73 100.46 10.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.241 -0.436 . . . . 72.23 110.775 -174.496 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -92.5 101.36 13.8 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 110.285 -0.265 . . . . 73.1 110.285 178.568 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.858 HD22 HD22 ' A' ' 106' ' ' LEU . 22.8 tp -115.22 115.21 42.88 Favored Pre-proline 0 C--N 1.328 -0.362 0 N-CA-C 108.986 -0.746 . . . . 73.31 108.986 178.502 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . 0.519 ' HD2' HD13 ' A' ' 103' ' ' LEU . 60.3 Cg_endo -71.88 149.24 53.32 Favored 'Trans proline' 0 C--O 1.234 0.312 0 C-N-CA 122.948 2.432 . . . . 73.52 113.07 -172.818 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 70.27 15.19 72.24 Favored Glycine 0 CA--C 1.519 0.303 0 CA-C-N 115.41 -0.814 . . . . 54.45 112.753 -179.216 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.858 HD22 HD22 ' A' ' 103' ' ' LEU . 32.2 tp -118.83 142.16 47.98 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 122.742 0.417 . . . . 65.03 110.609 -176.236 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -75.39 163.17 27.71 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-O 120.846 0.355 . . . . 72.42 110.974 179.702 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -64.75 -45.95 84.25 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.4 -0.818 . . . . 74.35 110.218 170.54 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -64.2 -49.76 70.76 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 115.509 -0.769 . . . . 64.13 110.665 -176.44 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . 0.547 ' O ' HG23 ' A' ' 113' ' ' THR . . . -66.48 -43.45 85.37 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.675 -0.693 . . . . 73.25 109.776 -178.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . 0.509 ' HA ' HD23 ' A' ' 106' ' ' LEU . . . -54.72 -46.32 74.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.949 -0.569 . . . . 54.13 111.357 177.549 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . 0.404 ' O ' ' HB2' ' A' ' 116' ' ' ASP . 63.1 mmtt -54.48 -36.51 64.23 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 116.426 -0.352 . . . . 74.23 111.397 179.628 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' THR . . . . . 0.547 HG23 ' O ' ' A' ' 110' ' ' ALA . 0.7 OUTLIER -82.24 -37.37 26.05 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-O 120.668 0.27 . . . . 74.22 110.969 -177.889 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.484 ' HG ' ' O ' ' A' ' 110' ' ' ALA . 55.4 mt -65.53 -49.48 68.78 Favored 'General case' 0 C--O 1.231 0.11 0 CA-C-O 120.884 0.373 . . . . 61.01 110.372 -177.812 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 63.6 t -64.78 -32.86 59.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.859 -0.609 . . . . 72.22 110.102 179.017 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . 0.404 ' HB2' ' O ' ' A' ' 112' ' ' LYS . 10.8 t70 -61.17 -60.97 2.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.695 -0.684 . . . . 65.51 110.369 179.803 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 12.8 ptm180 -68.56 -37.43 79.91 Favored 'General case' 0 N--CA 1.457 -0.096 0 CA-C-N 116.292 -0.413 . . . . 65.24 111.052 -175.549 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . 0.426 ' HB2' ' SD ' ' A' ' 62' ' ' MET . . . -59.56 -46.61 88.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.197 0.522 . . . . 63.41 110.41 177.878 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -76.68 -1.76 29.4 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 115.718 -0.674 . . . . 74.13 110.417 -178.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 10.1 t60 -98.62 -42.49 7.24 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 115.834 -0.621 . . . . 75.14 110.311 176.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 34.1 m -85.84 -43.52 16.56 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.203 0 N-CA-C 112.566 0.58 . . . . 74.54 112.566 -171.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 51.2 t -147.95 66.46 9.59 Favored Pre-proline 0 C--O 1.235 0.298 0 N-CA-C 112.432 0.53 . . . . 72.12 112.432 -174.626 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 65.1 Cg_endo -92.39 148.46 2.93 Favored 'Trans proline' 0 N--CA 1.456 -0.733 0 C-N-CA 122.749 2.3 . . . . 75.04 110.53 167.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' TYR . . . . . 0.701 ' HH ' ' HA ' ' B' ' 47' ' ' GLU . 60.3 t80 -60.2 -23.86 64.35 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 121.289 0.566 . . . . 65.44 110.418 178.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 17.7 p -142.05 106.39 4.81 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.609 -0.723 . . . . 65.33 110.206 178.706 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' ASN . . . . . 0.433 ' O ' ' HG2' ' A' ' 129' ' ' ARG . 16.4 m120 -66.88 -31.77 72.6 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 121.45 0.643 . . . . 73.42 109.452 173.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . 0.477 ' O ' HG23 ' A' ' 132' ' ' VAL . . . -64.77 -5.21 5.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.095 -0.957 . . . . 54.1 112.652 -176.61 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' THR . . . . . 0.489 ' HA ' ' HB ' ' A' ' 132' ' ' VAL . 2.3 t -91.73 -5.68 53.23 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.606 0.717 . . . . 73.21 109.408 -167.174 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . 0.433 ' HG2' ' O ' ' A' ' 126' ' ' ASN . 1.6 ptm180 -120.98 -43.75 2.44 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.059 -0.973 . . . . 72.04 111.013 -176.217 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -78.47 -49.8 12.79 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-O 121.352 0.596 . . . . 71.52 111.099 175.204 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 131' ' ' ASN . . . . . 0.426 ' HB3' ' O ' ' A' ' 127' ' ' ALA . 0.2 OUTLIER -85.17 -40.17 17.01 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.208 -0.905 . . . . 72.12 111.135 -175.336 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . 0.489 ' HB ' ' HA ' ' A' ' 128' ' ' THR . 18.7 t -111.89 163.64 8.59 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.462 0 CA-C-N 116.149 -0.478 . . . . 70.22 110.578 -175.135 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . 0.42 ' N ' HG13 ' A' ' 132' ' ' VAL . . . -100.08 92.31 5.18 Favored 'General case' 0 C--O 1.243 0.717 0 CA-C-O 121.53 0.681 . . . . 45.42 111.997 -176.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . 0.743 HG21 ' HB ' ' A' ' 97' ' ' VAL . 79.3 t -109.15 121.7 62.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.316 -0.857 . . . . 75.02 110.319 172.005 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . 0.431 ' HD2' ' N ' ' A' ' 135' ' ' ARG . 1.2 mpt_? -86.3 108.02 18.23 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 108.85 -0.796 . . . . 74.34 108.85 177.799 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 59.9 mt -79.85 100.21 7.9 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.53 0.681 . . . . 50.04 110.263 178.217 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . 0.547 ' O ' ' HA ' ' A' ' 100' ' ' ARG . 0.1 OUTLIER -111.88 121.78 65.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 114.918 -1.037 . . . . 74.42 109.433 -177.504 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 5.4 m -97.85 138.92 21.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-O 121.394 0.616 . . . . 71.15 110.268 -175.315 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.308 -1.207 0 CA-C-N 115.15 -0.932 . . . . 73.13 110.856 -175.412 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 1' ' ' MET . . . . . 0.557 ' SD ' ' HB2' ' A' ' 96' ' ' ASP . 28.4 ptm . . . . . 0 C--O 1.235 0.299 0 CA-C-O 121.043 0.449 . . . . 72.42 110.843 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 2' ' ' ASN . . . . . 0.497 ' O ' ' HD2' ' A' ' 87' ' ' PRO . 40.4 t30 -97.14 86.08 3.86 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.688 -0.687 . . . . 61.35 109.717 -179.506 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . 0.502 HG21 ' HB2' ' B' ' 6' ' ' LYS . 33.8 mm -69.85 132.31 33.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.425 -0.807 . . . . 72.42 111.639 179.756 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . 0.635 ' HG ' ' HD3' ' A' ' 87' ' ' PRO . 89.3 mt -90.73 -36.98 14.0 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.57 -0.741 . . . . 75.25 110.03 174.266 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 5' ' ' TYR . . . . . . . . . . . . . 14.4 t80 -143.07 130.25 20.83 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 116.126 -0.488 . . . . 75.45 110.502 -179.553 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . 0.502 ' HB2' HG21 ' B' ' 3' ' ' ILE . 31.6 ttmt -142.51 139.73 31.58 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-O 121.237 0.541 . . . . 65.01 111.411 174.378 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 10.0 t -137.5 147.37 45.19 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-N 115.358 -0.837 . . . . 73.02 109.738 177.407 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . 0.421 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . . . -111.56 141.23 45.41 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 121.079 0.466 . . . . 64.22 111.718 -175.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . 0.519 ' HA ' ' HA ' ' B' ' 21' ' ' SER . . . -131.62 117.98 19.44 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.856 -0.611 . . . . 71.2 110.385 178.017 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 65.9 m -99.7 115.86 30.45 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.267 -0.424 . . . . 64.31 110.121 -179.227 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 11' ' ' SER . . . . . 0.415 ' HA ' ' O ' ' B' ' 18' ' ' ARG . 23.1 p -106.31 113.44 26.97 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.147 0.498 . . . . 74.14 110.914 178.491 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 12' ' ' THR . . . . . 0.524 ' HA ' HG23 ' A' ' 78' ' ' THR . 2.5 m -81.46 155.01 26.05 Favored 'General case' 0 C--O 1.245 0.86 0 CA-C-N 115.983 -0.553 . . . . 73.24 110.845 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -73.3 75.05 1.0 Allowed Glycine 0 N--CA 1.445 -0.701 0 CA-C-N 115.475 -0.784 . . . . 71.12 111.587 174.429 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -66.15 -151.34 0.13 Allowed Glycine 0 C--N 1.332 0.308 0 C-N-CA 121.292 -0.48 . . . . 73.4 111.953 174.07 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 50.9 mtt180 -70.88 -40.3 72.34 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 122.307 -0.525 . . . . 65.14 110.453 177.37 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 16' ' ' ASP . . . . . 0.518 ' HB3' ' HA ' ' B' ' 31' ' ' SER . 14.7 t70 -126.33 -43.24 1.78 Allowed 'General case' 0 N--CA 1.466 0.344 0 N-CA-C 109.786 -0.449 . . . . 65.33 109.786 168.583 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -167.82 146.45 10.6 Favored Glycine 0 C--N 1.34 0.805 0 C-N-CA 120.21 -0.995 . . . . 74.22 112.249 164.521 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 18' ' ' ARG . . . . . 0.415 ' O ' ' HA ' ' B' ' 11' ' ' SER . 0.0 OUTLIER -126.21 104.11 8.04 Favored 'General case' 0 C--O 1.222 -0.386 0 N-CA-C 108.98 -0.748 . . . . 74.4 108.98 178.308 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -102.34 123.61 46.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.764 0.316 . . . . 64.31 110.949 -173.461 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 89.2 m -134.2 115.05 13.73 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.295 -0.412 . . . . 75.11 110.209 -178.021 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 21' ' ' SER . . . . . 0.589 ' HB3' ' N ' ' B' ' 26' ' ' LEU . 10.9 t -64.77 108.51 1.76 Allowed 'General case' 0 C--O 1.25 1.081 0 N-CA-C 107.985 -1.117 . . . . 74.21 107.985 175.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 22' ' ' HIS . . . . . 0.416 ' C ' ' H ' ' B' ' 24' ' ' GLN . 28.7 t-80 -55.82 -20.19 14.32 Favored 'General case' 0 C--N 1.347 0.476 0 O-C-N 126.48 2.363 . . . . 73.12 112.088 -170.772 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -80.36 14.43 1.98 Allowed 'General case' 0 C--N 1.316 -0.87 0 N-CA-C 109.477 -0.564 . . . . 63.54 109.477 179.03 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 24' ' ' GLN . . . . . 0.416 ' H ' ' C ' ' B' ' 22' ' ' HIS . 26.6 mm-40 66.16 24.07 10.87 Favored 'General case' 0 CA--C 1.517 -0.32 0 CA-C-N 114.963 -1.017 . . . . 71.43 109.366 178.336 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 24.4 mtmm -93.86 -23.9 17.95 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 114.891 -1.05 . . . . 41.25 111.422 -179.396 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . 0.589 ' N ' ' HB3' ' B' ' 21' ' ' SER . 42.6 tp -148.57 146.73 28.4 Favored 'General case' 0 CA--C 1.5 -0.961 0 C-N-CA 119.018 -1.073 . . . . 73.34 111.963 -178.156 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -150.65 98.24 2.6 Favored 'General case' 0 N--CA 1.443 -0.814 0 CA-C-N 114.956 -1.02 . . . . 53.33 109.653 178.508 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 3.0 m -143.86 178.2 1.92 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.39 0 CA-C-O 121.387 0.613 . . . . 74.12 111.471 178.315 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . 0.683 ' HE3' ' HG3' ' B' ' 42' ' ' GLU . 0.3 OUTLIER -146.68 141.27 26.66 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.29 -0.868 . . . . 74.12 109.621 -178.939 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . 0.731 ' HA ' ' H ' ' B' ' 44' ' ' THR . 0.0 OUTLIER -126.48 164.88 20.17 Favored 'General case' 0 C--O 1.254 1.304 0 CA-C-O 121.183 0.516 . . . . 72.32 111.231 -176.916 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 31' ' ' SER . . . . . 0.518 ' HA ' ' HB3' ' B' ' 16' ' ' ASP . 38.2 p -156.43 130.87 8.77 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 114.607 -1.179 . . . . 62.35 111.265 -177.68 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.74 141.73 98.38 Favored Pre-proline 0 C--O 1.241 0.609 0 CA-C-N 116.039 -0.528 . . . . 75.13 111.202 178.722 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 33' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_endo -55.04 125.89 20.71 Favored 'Trans proline' 0 C--N 1.351 0.688 0 C-N-CA 122.85 2.367 . . . . 72.21 111.595 179.407 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 34' ' ' ARG . . . . . 0.704 ' HB2' ' HA3' ' B' ' 40' ' ' GLY . 6.5 tpt180 -65.62 -20.72 66.42 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.314 -0.403 . . . . 71.43 110.556 -175.159 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 10.7 mp0 -53.04 -31.49 41.67 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 115.545 -0.752 . . . . 72.42 110.871 178.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 37.5 mt -103.28 11.27 37.0 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.728 -0.669 . . . . 63.52 111.079 -174.599 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 90.37 22.04 35.98 Favored Glycine 0 N--CA 1.452 -0.241 0 CA-C-N 115.865 -0.607 . . . . 51.22 112.408 -177.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -84.77 -130.35 2.11 Favored Glycine 0 C--N 1.336 0.534 0 C-N-CA 121.187 -0.53 . . . . 64.12 112.302 -178.484 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -114.58 -26.71 7.78 Favored 'General case' 0 N--CA 1.465 0.28 0 N-CA-C 111.808 0.299 . . . . 71.25 111.808 -177.1 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 40' ' ' GLY . . . . . 0.704 ' HA3' ' HB2' ' B' ' 34' ' ' ARG . . . 46.51 40.38 11.25 Favored Glycine 0 C--N 1.336 0.569 0 O-C-N 123.409 0.443 . . . . 53.13 113.474 -174.879 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -90.76 -171.91 3.2 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.974 0.416 . . . . 75.21 111.021 -177.619 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . 0.683 ' HG3' ' HE3' ' B' ' 29' ' ' LYS . 12.0 pt-20 -80.28 32.18 0.28 Allowed 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 115.86 -0.609 . . . . 74.14 111.492 -177.796 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -112.03 -171.98 18.91 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 121.135 -0.555 . . . . 72.12 112.435 -177.583 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 44' ' ' THR . . . . . 0.731 ' H ' ' HA ' ' B' ' 30' ' ' LEU . 33.7 m -99.42 143.56 29.52 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 110.327 -0.249 . . . . 70.51 110.327 -179.864 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 45' ' ' ASN . . . . . 0.465 ' HB2' ' HB3' ' B' ' 48' ' ' GLN . 2.1 m-20 -63.43 135.28 96.18 Favored Pre-proline 0 C--N 1.325 -0.468 0 N-CA-C 110.177 -0.305 . . . . 71.14 110.177 175.341 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 46' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -59.15 -50.34 8.92 Favored 'Trans proline' 0 C--O 1.237 0.474 0 C-N-CA 122.768 2.312 . . . . 54.41 112.021 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 47' ' ' GLU . . . . . 0.701 ' HA ' ' HH ' ' A' ' 124' ' ' TYR . 7.0 pm0 -65.74 -33.03 74.92 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.221 -0.445 . . . . 73.03 110.369 -177.758 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . 0.494 ' OE1' ' HE3' ' A' ' 25' ' ' LYS . 24.8 tt0 -70.27 -39.8 74.72 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.712 -0.676 . . . . 65.22 110.52 177.749 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -63.15 -50.68 69.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.547 -0.751 . . . . 73.15 109.775 -179.363 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 39.0 t80 -62.58 -45.42 93.0 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.824 -0.625 . . . . 74.53 110.851 178.521 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . 0.494 ' HB1' HG12 ' B' ' 83' ' ' VAL . . . -51.66 -53.17 41.71 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.467 -0.333 . . . . 63.22 111.197 177.266 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 52' ' ' ALA . . . . . 0.498 ' HB2' ' HB3' ' A' ' 19' ' ' ALA . . . -63.54 -39.31 94.08 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 115.742 -0.663 . . . . 74.31 110.829 -178.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -67.65 -33.73 81.63 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 121.132 -0.556 . . . . 73.22 112.282 178.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -72.64 -49.23 33.22 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.891 -0.411 . . . . 73.43 109.891 -179.31 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 55' ' ' SER . . . . . 0.448 ' HB3' ' HB2' ' B' ' 81' ' ' ALA . 45.8 p -63.19 -45.98 89.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.923 0.392 . . . . 71.55 110.572 -179.834 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 56' ' ' ALA . . . . . 0.476 ' HB2' HD23 ' A' ' 30' ' ' LEU . . . -62.62 -42.23 99.46 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.03 -0.532 . . . . 72.32 110.689 178.123 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 57' ' ' CYS . . . . . . . . . . . . . 52.0 t -62.93 -36.64 84.08 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.267 -0.424 . . . . 72.4 109.974 176.653 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 23.1 t80 -63.74 -31.18 72.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.827 -0.624 . . . . 61.11 110.115 -178.046 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 95.6 mt -64.8 -56.58 12.65 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 116.043 -0.526 . . . . 73.31 110.32 176.344 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 60' ' ' SER . . . . . 0.415 ' O ' ' HB3' ' B' ' 63' ' ' LYS . 21.8 t -61.2 -37.45 83.01 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 115.808 -0.633 . . . . 73.23 110.191 -179.847 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 61' ' ' ALA . . . . . 0.428 ' O ' HG22 ' B' ' 65' ' ' VAL . . . -64.77 -43.02 94.61 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 115.921 -0.581 . . . . 44.1 110.027 177.385 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 62' ' ' MET . . . . . 0.64 ' HA ' ' HE1' ' B' ' 62' ' ' MET . 3.4 tpt -61.15 -36.91 81.05 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 115.797 -0.638 . . . . 71.0 109.707 177.872 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . 0.415 ' HB3' ' O ' ' B' ' 60' ' ' SER . 22.7 tptp -60.04 -51.95 67.47 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 115.648 -0.705 . . . . 72.03 110.232 175.036 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 81.9 t80 -60.42 -41.57 94.21 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 116.163 -0.471 . . . . 73.11 110.538 179.576 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 65' ' ' VAL . . . . . 0.428 HG22 ' O ' ' B' ' 61' ' ' ALA . 55.4 t -59.17 -46.93 91.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.027 -0.533 . . . . 75.05 110.492 178.247 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -57.31 -30.86 65.1 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.157 -0.474 . . . . 74.13 110.558 179.556 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -71.94 -28.44 68.7 Favored Glycine 0 N--CA 1.45 -0.393 0 CA-C-N 115.515 -0.766 . . . . 75.04 112.475 -178.438 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -99.02 -13.3 19.94 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.361 0.6 . . . . 64.5 109.539 179.546 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -96.67 -5.25 39.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.416 -0.811 . . . . 65.21 110.681 177.363 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 56.43 39.64 29.94 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-O 121.488 0.661 . . . . 73.12 110.85 176.705 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -121.84 169.61 10.6 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 114.875 -1.057 . . . . 74.24 110.22 178.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 17.0 p -119.25 137.32 53.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.373 -0.376 . . . . 74.12 110.859 -178.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 73' ' ' LEU . . . . . 0.484 HD11 ' HG3' ' B' ' 62' ' ' MET . 81.3 mt -109.6 138.07 20.51 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.348 -0.387 . . . . 75.15 110.784 179.1 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 74' ' ' PRO . . . . . 0.663 ' HD2' HD12 ' B' ' 103' ' ' LEU . 21.8 Cg_exo -67.16 142.4 60.91 Favored 'Trans proline' 0 C--N 1.348 0.535 0 C-N-CA 122.907 2.404 . . . . 74.32 111.826 175.185 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -77.21 -19.59 56.47 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.359 0.503 . . . . 71.53 112.359 -176.047 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -81.29 9.78 6.55 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-O 121.141 0.496 . . . . 60.22 111.601 -175.727 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 77' ' ' THR . . . . . 0.471 ' HB ' HD11 ' B' ' 103' ' ' LEU . 9.8 t -77.1 159.7 29.61 Favored 'General case' 0 CA--C 1.537 0.449 0 N-CA-C 112.349 0.5 . . . . 73.25 112.349 -174.837 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 34.1 m -155.87 153.04 29.08 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 115.646 -0.707 . . . . 71.23 109.683 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 82.6 t -131.4 128.09 60.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 N-CA-C 109.343 -0.614 . . . . 54.24 109.343 174.465 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 80' ' ' THR . . . . . 0.546 ' HA ' ' HA ' ' A' ' 10' ' ' THR . 28.0 m -110.53 116.02 30.65 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.753 0.311 . . . . 75.2 110.782 -178.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 81' ' ' ALA . . . . . 0.448 ' HB2' ' HB3' ' B' ' 55' ' ' SER . . . -93.4 105.28 17.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 73.43 110.225 178.755 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -99.71 107.9 20.1 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.086 -0.709 . . . . 71.23 109.086 178.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . 0.494 HG12 ' HB1' ' B' ' 51' ' ' ALA . 18.8 m -109.67 139.6 32.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 120.89 0.376 . . . . 71.44 111.479 -174.256 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 84' ' ' GLY . . . . . . . . . . . . . . . -132.52 152.1 20.14 Favored Glycine 0 N--CA 1.442 -0.959 0 N-CA-C 110.954 -0.858 . . . . 52.45 110.954 175.738 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -132.24 129.25 59.66 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.859 0 N-CA-C 109.276 -0.638 . . . . 73.1 109.276 -179.52 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 86' ' ' GLY . . . . . 0.469 ' HA2' ' HG ' ' A' ' 4' ' ' LEU . . . -142.16 169.84 25.22 Favored Glycine 0 N--CA 1.451 -0.331 0 O-C-N 124.083 0.864 . . . . 52.3 111.155 -178.341 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 87' ' ' PRO . . . . . 0.648 ' HD3' ' HG ' ' A' ' 4' ' ' LEU . 15.4 Cg_endo -88.75 129.56 2.14 Favored 'Trans proline' 0 N--CA 1.451 -1.025 0 C-N-CA 122.72 2.28 . . . . 70.05 112.598 -176.024 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 88' ' ' ASN . . . . . . . . . . . . . 52.3 t-20 -70.25 140.29 52.35 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.039 -0.982 . . . . 72.3 108.418 173.309 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -61.36 -19.17 61.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.889 0.376 . . . . 71.21 111.016 -177.567 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -71.08 -18.79 62.53 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 115.938 -0.574 . . . . 74.05 111.178 178.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.72 35.53 3.24 Favored Glycine 0 C--O 1.235 0.173 0 CA-C-N 116.01 -0.541 . . . . 72.2 112.614 -179.392 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . -135.19 -170.62 12.19 Favored Glycine 0 N--CA 1.452 -0.286 0 N-CA-C 111.063 -0.815 . . . . 70.13 111.063 175.494 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 93' ' ' PHE . . . . . . . . . . . . . 59.2 m-85 -103.29 151.53 22.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 117.13 0.465 . . . . 73.12 110.379 177.199 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -138.59 131.4 29.42 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.916 -0.583 . . . . 62.21 110.001 -177.655 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -101.71 125.67 48.42 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.084 -0.507 . . . . 74.21 111.002 -178.572 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 96' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -114.78 110.54 19.86 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.31 -0.859 . . . . 73.53 109.317 175.547 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 97' ' ' VAL . . . . . 0.482 HG13 HG12 ' B' ' 134' ' ' VAL . 1.5 p -114.52 117.34 55.3 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 CA-C-O 121.695 0.759 . . . . 65.34 111.231 -176.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -100.56 110.55 22.71 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 114.742 -1.117 . . . . 74.42 109.34 -179.504 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 89.9 mt -94.04 109.8 21.53 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.836 -0.431 . . . . 75.14 109.836 -179.169 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 100' ' ' ARG . . . . . 0.576 ' HA ' ' O ' ' B' ' 137' ' ' VAL . 42.4 ttt180 -99.32 109.58 22.19 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.455 -0.793 . . . . 70.24 109.761 -174.203 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 101' ' ' VAL . . . . . 0.418 HG23 HG22 ' B' ' 115' ' ' VAL . 73.5 t -95.94 112.21 27.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 115.73 -0.668 . . . . 60.12 111.448 -173.129 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 102' ' ' ALA . . . . . 0.474 ' HA ' ' HB3' ' B' ' 139' ' ' ALA . . . -107.74 101.49 10.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.938 0.399 . . . . 53.32 110.463 178.351 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 103' ' ' LEU . . . . . 0.707 HD22 HD22 ' B' ' 106' ' ' LEU . 29.0 tp -118.48 119.21 33.13 Favored Pre-proline 0 C--N 1.326 -0.441 0 N-CA-C 108.737 -0.838 . . . . 72.24 108.737 177.168 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 104' ' ' PRO . . . . . 0.51 ' HD2' HD11 ' B' ' 103' ' ' LEU . 39.6 Cg_endo -67.54 144.52 67.1 Favored 'Trans proline' 0 N--CA 1.462 -0.361 0 C-N-CA 122.59 2.193 . . . . 74.24 112.527 -176.227 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 105' ' ' GLY . . . . . . . . . . . . . . . 70.47 13.78 71.38 Favored Glycine 0 CA--C 1.521 0.434 0 CA-C-N 115.27 -0.877 . . . . 72.34 112.865 -178.174 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 106' ' ' LEU . . . . . 0.707 HD22 HD22 ' B' ' 103' ' ' LEU . 38.5 tp -112.96 139.43 48.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.86 0.362 . . . . 65.44 110.831 -177.628 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -77.46 166.67 22.8 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 115.928 -0.578 . . . . 63.12 110.584 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -68.98 -44.53 72.67 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.407 -0.815 . . . . 74.55 110.142 170.728 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -64.73 -46.51 81.95 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.666 -0.697 . . . . 64.51 110.603 -177.293 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 110' ' ' ALA . . . . . 0.523 ' O ' ' HG ' ' B' ' 114' ' ' LEU . . . -68.7 -43.71 75.48 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.707 -0.679 . . . . 72.03 109.731 179.255 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 111' ' ' ALA . . . . . 0.55 ' O ' HG21 ' B' ' 115' ' ' VAL . . . -54.59 -43.24 71.97 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.124 -0.489 . . . . 64.14 111.079 178.371 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 112' ' ' LYS . . . . . . . . . . . . . 30.8 mmtm -51.02 -49.34 60.66 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 116.18 -0.464 . . . . 74.45 110.929 -179.573 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 113' ' ' THR . . . . . 0.511 HG22 ' O ' ' B' ' 110' ' ' ALA . 2.8 t -74.88 -37.41 62.17 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 116.27 -0.423 . . . . 72.03 110.821 -175.868 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 114' ' ' LEU . . . . . 0.523 ' HG ' ' O ' ' B' ' 110' ' ' ALA . 30.9 mt -61.52 -44.52 96.9 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.188 -0.46 . . . . 72.05 110.978 -178.218 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 115' ' ' VAL . . . . . 0.55 HG21 ' O ' ' B' ' 111' ' ' ALA . 48.7 t -63.4 -41.58 93.24 Favored 'Isoleucine or valine' 0 C--O 1.243 0.722 0 CA-C-O 121.312 0.577 . . . . 63.55 110.164 178.279 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -54.93 -60.15 3.76 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 115.032 -0.985 . . . . 75.43 110.224 -179.762 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 117' ' ' ARG . . . . . 0.481 ' O ' ' HB3' ' B' ' 120' ' ' HIS . 14.1 ptm180 -66.07 -33.99 77.04 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.527 -0.76 . . . . 70.2 111.032 -177.357 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -58.59 -40.23 82.59 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.827 -0.624 . . . . 61.11 110.655 177.226 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 33.2 m-70 -73.55 -6.32 45.8 Favored 'General case' 0 N--CA 1.466 0.344 0 N-CA-C 112.288 0.477 . . . . 74.31 112.288 178.629 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 120' ' ' HIS . . . . . 0.481 ' HB3' ' O ' ' B' ' 117' ' ' ARG . 19.0 t-80 -72.29 -26.26 61.9 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 120.795 0.331 . . . . 73.32 110.507 175.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 27.6 m -113.64 21.1 6.39 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.31 0 CA-C-N 116.117 -0.492 . . . . 73.14 110.711 -179.734 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 122' ' ' CYS . . . . . . . . . . . . . 39.9 t -65.26 129.16 94.34 Favored Pre-proline 0 CA--C 1.534 0.339 0 CA-C-N 115.712 -0.677 . . . . 74.53 111.204 -177.148 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 123' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -56.35 -50.19 12.78 Favored 'Trans proline' 0 C--N 1.356 0.97 0 C-N-CA 122.758 2.305 . . . . 65.25 111.946 178.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 124' ' ' TYR . . . . . 0.582 ' HB3' HG23 ' B' ' 128' ' ' THR . 55.9 m-85 . . . . . 0 CA--C 1.532 0.269 0 N-CA-C 107.971 -1.122 . . . . 65.35 107.971 175.549 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 128' ' ' THR . . . . . 0.582 HG23 ' HB3' ' B' ' 124' ' ' TYR . 0.6 OUTLIER . . . . . 0 CA--C 1.535 0.366 0 CA-C-O 120.808 0.337 . . . . 64.4 110.418 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 129' ' ' ARG . . . . . . . . . . . . . 19.3 ptt85 -117.88 -41.9 2.87 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 121.14 0.495 . . . . 75.21 110.823 -178.15 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 130' ' ' ASN . . . . . . . . . . . . . 15.9 m120 -77.73 -49.68 13.94 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.698 -0.683 . . . . 74.14 110.545 178.482 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 131' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -72.81 -43.95 62.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 75.43 111.01 -177.429 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 132' ' ' VAL . . . . . . . . . . . . . 55.7 t -82.11 148.11 5.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.973 -0.558 . . . . 62.31 109.583 177.695 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 133' ' ' ALA . . . . . . . . . . . . . . . -77.24 87.31 3.67 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.414 0.626 . . . . 72.23 111.311 -176.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 134' ' ' VAL . . . . . 0.482 HG12 HG13 ' B' ' 97' ' ' VAL . 11.3 t -103.98 112.75 38.72 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.654 0 CA-C-N 115.482 -0.781 . . . . 64.53 110.255 172.576 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 3.8 mpt_? -88.73 122.48 32.19 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.017 -0.538 . . . . 74.32 110.252 177.293 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 85.0 mt -88.81 117.01 27.5 Favored 'General case' 0 N--CA 1.447 -0.615 0 CA-C-N 116.063 -0.517 . . . . 72.41 109.963 176.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 137' ' ' VAL . . . . . 0.576 ' O ' ' HA ' ' B' ' 100' ' ' ARG . 0.6 OUTLIER -126.66 124.32 64.85 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-N 115.337 -0.847 . . . . 74.23 109.792 -177.48 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 138' ' ' VAL . . . . . . . . . . . . . 2.3 m -90.9 137.7 21.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 N-CA-C 108.943 -0.762 . . . . 70.52 108.943 -179.694 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 139' ' ' ALA . . . . . 0.474 ' HB3' ' HA ' ' B' ' 102' ' ' ALA . . . . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.663 -0.684 . . . . 71.35 111.418 -171.265 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.5 ptm . . . . . 0 N--CA 1.482 1.141 0 N-CA-C 110.232 -0.284 . . . . 71.43 110.232 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . 0.45 ' O ' ' HD2' ' B' ' 87' ' ' PRO . 48.2 t30 -99.42 82.51 2.68 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.286 -0.416 . . . . 75.52 110.008 -179.454 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.484 HG23 ' HB2' ' A' ' 6' ' ' LYS . 32.4 mm -65.32 116.17 4.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 121.092 0.472 . . . . 51.02 111.417 178.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.641 ' HG ' ' HD3' ' B' ' 87' ' ' PRO . 85.7 mt -81.43 -37.36 28.21 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.337 -0.847 . . . . 74.21 109.891 177.333 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 28.0 t80 -141.86 134.49 28.37 Favored 'General case' 0 C--O 1.222 -0.36 0 CA-C-N 115.972 -0.558 . . . . 73.42 110.119 -179.567 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.484 ' HB2' HG23 ' A' ' 3' ' ' ILE . 28.5 ttmt -143.34 141.92 31.12 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.192 0.52 . . . . 62.42 110.944 174.594 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 7.7 t -144.0 166.59 24.53 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 114.99 -1.004 . . . . 73.02 109.369 178.151 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.403 ' HA ' ' HA ' ' B' ' 82' ' ' GLU . . . -131.61 146.77 52.37 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 120.996 0.427 . . . . 64.34 111.798 -175.023 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -138.67 124.64 20.0 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.978 -0.555 . . . . 73.03 110.239 176.63 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.529 ' HA ' ' HA ' ' B' ' 80' ' ' THR . 15.3 t -107.17 142.21 37.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.939 0.399 . . . . 73.43 110.287 -178.873 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 41.8 p -124.84 113.56 18.06 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.167 -0.47 . . . . 74.42 110.345 -178.617 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.614 ' HA ' HG22 ' B' ' 78' ' ' THR . 3.1 m -88.8 156.91 18.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.047 -0.524 . . . . 72.12 111.286 -177.598 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -76.31 73.82 1.76 Allowed Glycine 0 N--CA 1.45 -0.385 0 CA-C-N 116.098 -0.501 . . . . 62.44 111.898 173.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -71.44 -144.97 0.38 Allowed Glycine 0 CA--C 1.521 0.445 0 C-N-CA 121.353 -0.451 . . . . 62.02 112.401 177.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 5.9 tpp180 -54.05 -49.24 69.43 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-O 120.946 0.403 . . . . 73.04 109.95 179.384 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.523 ' HB3' ' HA ' ' A' ' 31' ' ' SER . 29.2 t70 -125.71 -42.56 1.92 Allowed 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 108.74 -0.837 . . . . 74.22 108.74 167.305 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -166.05 165.57 38.2 Favored Glycine 0 N--CA 1.446 -0.672 0 C-N-CA 120.813 -0.708 . . . . 73.12 112.084 167.276 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.513 ' HA ' ' HA ' ' A' ' 29' ' ' LYS . 43.9 mtt-85 -122.04 171.24 9.11 Favored 'General case' 0 C--N 1.321 -0.645 0 C-N-CA 122.824 0.45 . . . . 73.24 109.881 174.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -153.87 123.56 6.72 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 108.943 -0.762 . . . . 71.12 108.943 171.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 32.4 m -140.31 114.24 8.94 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-O 120.693 0.282 . . . . 65.23 110.583 -176.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.5 ' HB3' ' N ' ' A' ' 26' ' ' LEU . 29.1 t -71.61 109.45 5.55 Favored 'General case' 0 C--O 1.248 1.003 0 N-CA-C 107.866 -1.161 . . . . 62.3 107.866 174.849 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.477 ' C ' ' H ' ' A' ' 24' ' ' GLN . 49.8 t-80 -56.78 -21.62 29.94 Favored 'General case' 0 N--CA 1.472 0.656 0 O-C-N 125.982 2.051 . . . . 71.44 112.418 -168.471 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.441 ' HB2' ' HG2' ' A' ' 25' ' ' LYS . 1.3 m-20 -79.91 19.81 0.67 Allowed 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 109.283 -0.636 . . . . 73.43 109.283 178.026 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.477 ' H ' ' C ' ' A' ' 22' ' ' HIS . 25.6 mm-40 64.4 20.61 12.23 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 115.335 -0.848 . . . . 72.53 109.999 177.422 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.441 ' HG2' ' HB2' ' A' ' 23' ' ' ASP . 32.0 mmtp -81.97 -35.88 28.52 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 115.088 -0.96 . . . . 73.44 110.034 -179.404 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.5 ' N ' ' HB3' ' A' ' 21' ' ' SER . 54.1 tp -143.57 145.82 32.82 Favored 'General case' 0 CA--C 1.51 -0.589 0 C-N-CA 120.011 -0.675 . . . . 74.42 111.96 -172.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -155.42 91.4 1.32 Allowed 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 114.733 -1.121 . . . . 74.5 110.156 -178.084 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 5.0 m -139.62 178.13 3.91 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.386 0 CA-C-N 115.949 -0.568 . . . . 62.12 111.697 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.513 ' HA ' ' HA ' ' A' ' 18' ' ' ARG . 4.8 ttpp -137.83 144.2 41.36 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.279 -0.873 . . . . 62.42 110.15 -178.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.629 ' HA ' ' H ' ' A' ' 44' ' ' THR . 0.0 OUTLIER -126.42 162.62 25.14 Favored 'General case' 0 C--O 1.251 1.15 0 CA-C-O 121.045 0.45 . . . . 73.21 110.959 179.362 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.523 ' HA ' ' HB3' ' A' ' 16' ' ' ASP . 30.9 p -171.07 146.02 2.37 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 115.221 -0.9 . . . . 75.34 110.955 -173.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -76.75 125.58 86.98 Favored Pre-proline 0 C--O 1.24 0.568 0 CA-C-N 116.087 -0.506 . . . . 52.21 110.943 -179.434 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -58.88 147.37 89.53 Favored 'Trans proline' 0 C--N 1.35 0.615 0 C-N-CA 122.733 2.289 . . . . 73.33 111.348 176.241 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 30.6 tpt180 -68.78 -16.7 63.87 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.324 -0.398 . . . . 64.52 110.917 -175.122 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -51.69 -37.36 50.37 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 116.126 -0.488 . . . . 75.14 111.116 178.704 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 54.4 mt -102.23 22.25 13.61 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.881 -0.6 . . . . 73.53 110.625 -176.061 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 79.08 25.69 59.27 Favored Glycine 0 N--CA 1.452 -0.252 0 CA-C-N 115.85 -0.613 . . . . 72.22 111.793 -177.502 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -81.1 -128.99 0.92 Allowed Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 121.156 -0.545 . . . . 73.44 111.841 -178.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -128.61 -7.1 5.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 122.65 -0.324 . . . . 63.22 111.412 -179.354 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 59.11 26.63 61.43 Favored Glycine 0 C--N 1.329 0.144 0 C-N-CA 121.13 -0.557 . . . . 45.53 112.687 -178.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -79.9 147.27 31.74 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 110.513 -0.18 . . . . 51.12 110.513 -179.771 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -68.83 87.33 0.35 Allowed 'General case' 0 C--O 1.236 0.362 0 CA-C-O 122.157 0.98 . . . . 71.23 110.337 177.742 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -140.26 -144.19 4.45 Favored Glycine 0 C--N 1.311 -0.839 0 CA-C-N 114.353 -1.294 . . . . 55.55 111.604 174.413 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.629 ' H ' ' HA ' ' A' ' 30' ' ' LEU . 85.9 m -143.96 159.88 41.81 Favored 'General case' 0 N--CA 1.444 -0.728 0 N-CA-C 109.815 -0.439 . . . . 74.01 109.815 -179.72 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 44.3 m-20 -91.43 124.88 59.82 Favored Pre-proline 0 C--O 1.236 0.378 0 N-CA-C 109.895 -0.409 . . . . 72.33 109.895 173.148 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -55.21 -34.35 87.68 Favored 'Trans proline' 0 C--N 1.349 0.566 0 C-N-CA 122.786 2.324 . . . . 63.04 112.277 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -58.37 -42.87 87.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.888 -0.597 . . . . 62.13 110.736 179.762 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -65.22 -37.67 87.99 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.943 -0.572 . . . . 74.41 109.706 177.451 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.508 HD13 ' HA3' ' B' ' 53' ' ' GLY . 3.4 tm? -62.4 -48.42 79.79 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 115.469 -0.787 . . . . 71.11 109.979 -178.869 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 62.9 t80 -63.24 -47.08 83.98 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 116.228 -0.442 . . . . 65.21 110.452 177.363 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -54.4 -53.11 58.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.946 -0.57 . . . . 52.03 111.65 179.005 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.529 ' HB3' ' HB3' ' B' ' 19' ' ' ALA . . . -65.09 -46.26 81.83 Favored 'General case' 0 C--O 1.237 0.444 0 CA-C-O 121.133 0.492 . . . . 73.32 110.521 -177.866 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.458 ' HA3' HD11 ' B' ' 49' ' ' LEU . . . -60.71 -45.19 96.89 Favored Glycine 0 N--CA 1.447 -0.617 0 CA-C-N 115.486 -0.779 . . . . 45.35 112.612 -179.041 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 7.2 t80 -72.83 -39.53 66.52 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.54 0.17 . . . . 74.55 111.032 -177.691 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.449 ' HB3' ' HB1' ' A' ' 81' ' ' ALA . 61.3 p -62.92 -43.49 98.64 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.882 0.373 . . . . 73.1 110.261 179.708 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.459 ' HB2' HD23 ' B' ' 30' ' ' LEU . . . -70.63 -44.36 67.33 Favored 'General case' 0 CA--C 1.528 0.126 0 CA-C-N 116.021 -0.536 . . . . 72.41 110.442 176.708 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.41 ' SG ' ' HB3' ' B' ' 46' ' ' PRO . 42.5 t -56.43 -35.85 68.31 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 115.84 -0.618 . . . . 74.4 110.455 177.604 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 19.0 t80 -55.59 -31.57 62.34 Favored 'General case' 0 CA--C 1.529 0.135 0 CA-C-N 115.804 -0.635 . . . . 74.24 110.315 -178.311 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 63.4 tp -67.84 -48.5 66.0 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.182 -0.463 . . . . 74.12 110.066 176.617 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.457 ' O ' ' HB3' ' A' ' 63' ' ' LYS . 2.9 m -60.67 -40.59 92.67 Favored 'General case' 0 C--O 1.24 0.567 0 CA-C-O 121.388 0.613 . . . . 74.4 110.167 178.801 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -62.13 -49.99 73.67 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.656 -0.702 . . . . 64.15 109.92 177.309 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' MET . . . . . 0.419 ' SD ' ' HB3' ' A' ' 118' ' ' ALA . 82.3 mmm -67.55 -20.49 65.41 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.771 -0.65 . . . . 61.32 111.016 178.191 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.457 ' HB3' ' O ' ' A' ' 60' ' ' SER . 7.1 tmtm? -68.06 -48.99 64.07 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 108.841 -0.8 . . . . 62.32 108.841 173.666 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 60.7 t80 -62.51 -40.99 98.5 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 115.888 -0.597 . . . . 70.35 110.246 175.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 53.2 t -61.92 -50.38 80.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.017 -0.538 . . . . 51.41 110.744 178.233 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -56.89 -31.86 65.29 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.985 0.421 . . . . 55.45 110.478 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -68.16 -33.49 78.61 Favored Glycine 0 CA--C 1.517 0.181 0 CA-C-N 115.364 -0.835 . . . . 65.01 112.32 -177.727 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 9.5 pt20 -94.37 -19.15 20.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.208 0.528 . . . . 73.33 109.626 -178.39 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 16.0 m-80 -93.76 2.59 56.21 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.395 -0.82 . . . . 73.35 110.751 -179.192 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 22.5 mmtm 63.0 28.3 16.2 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 115.385 -0.825 . . . . 70.5 111.119 172.019 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -122.06 168.61 11.74 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.064 -0.516 . . . . 65.11 110.782 -177.681 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 15.9 p -124.89 142.33 51.52 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.78 -0.645 . . . . 71.13 110.171 178.18 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 95.3 mt -109.22 141.38 23.36 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.407 -0.36 . . . . 64.52 110.304 -179.503 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . 0.435 ' O ' HG21 ' A' ' 77' ' ' THR . 33.0 Cg_endo -64.52 121.75 9.42 Favored 'Trans proline' 0 C--N 1.348 0.548 0 C-N-CA 122.62 2.213 . . . . 75.32 111.967 179.113 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -77.1 1.62 17.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.929 0.395 . . . . 74.43 111.774 -177.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -90.9 0.43 57.5 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.314 0.578 . . . . 72.44 110.637 -179.102 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.522 ' HA ' ' HD3' ' A' ' 104' ' ' PRO . 4.2 t -69.65 160.5 31.47 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.593 -0.73 . . . . 74.0 112.493 -174.215 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 27.7 m -143.26 149.3 37.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 114.882 -1.054 . . . . 72.13 109.407 177.527 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 60.1 t -129.31 149.65 33.87 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 N-CA-C 109.095 -0.705 . . . . 73.54 109.095 179.697 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 48.0 m -135.74 111.87 9.67 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.989 0.423 . . . . 61.0 110.54 172.128 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.449 ' HB1' ' HB3' ' A' ' 55' ' ' SER . . . -93.07 108.89 20.38 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.413 -0.588 . . . . 75.0 109.413 176.475 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.487 ' HG2' ' HD3' ' B' ' 6' ' ' LYS . 41.0 tt0 -109.94 107.62 17.6 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.803 -0.444 . . . . 75.53 109.803 -176.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.595 HG12 HG11 ' A' ' 97' ' ' VAL . 30.0 m -108.89 145.79 15.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.834 0.35 . . . . 74.25 110.99 -176.388 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . 0.462 ' HA2' ' HA ' ' B' ' 6' ' ' LYS . . . -139.28 163.71 25.99 Favored Glycine 0 N--CA 1.446 -0.691 0 C-N-CA 121.274 -0.489 . . . . 64.22 112.014 -179.621 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -135.84 130.75 49.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 N-CA-C 108.916 -0.772 . . . . 71.32 108.916 179.496 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -151.7 169.76 31.17 Favored Glycine 0 N--CA 1.453 -0.183 0 CA-C-N 115.459 -0.791 . . . . 64.2 111.463 -179.456 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . 0.733 ' HD3' ' HG ' ' B' ' 4' ' ' LEU . 6.3 Cg_exo -77.44 121.23 5.54 Favored 'Trans proline' 0 N--CA 1.46 -0.489 0 C-N-CA 122.865 2.376 . . . . 75.13 111.939 -178.578 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . 0.491 ' HB2' ' HB1' ' A' ' 94' ' ' ALA . 24.9 t-20 -74.09 151.82 40.05 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.136 -0.483 . . . . 63.43 109.783 177.733 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -60.56 -13.56 14.86 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 116.343 -0.389 . . . . 74.31 111.766 -178.587 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -68.99 -27.31 65.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.068 0.461 . . . . 62.35 111.111 176.346 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.03 35.25 3.48 Favored Glycine 0 N--CA 1.454 -0.146 0 N-CA-C 111.16 -0.776 . . . . 52.42 111.16 -172.768 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . 0.429 ' O ' ' HA ' ' A' ' 87' ' ' PRO . . . -145.86 -158.71 7.83 Favored Glycine 0 CA--C 1.51 -0.28 0 N-CA-C 111.048 -0.821 . . . . 74.12 111.048 179.804 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 29.8 m-85 -99.51 160.03 14.59 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 117.377 0.589 . . . . 72.25 110.781 178.192 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . 0.491 ' HB1' ' HB2' ' A' ' 88' ' ' ASN . . . -150.71 136.71 18.36 Favored 'General case' 0 C--O 1.239 0.505 0 CA-C-N 115.869 -0.605 . . . . 73.43 109.979 176.038 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -97.49 123.44 41.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.908 -0.587 . . . . 75.45 110.19 177.724 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -109.99 110.65 21.64 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.297 -0.865 . . . . 62.1 109.334 178.566 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.595 HG11 HG12 ' A' ' 83' ' ' VAL . 61.3 t -108.47 110.52 32.3 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.929 0 CA-C-N 115.997 -0.547 . . . . 41.42 110.722 -175.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -98.27 106.47 18.77 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.7 -0.482 . . . . 52.25 109.7 175.085 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 27.4 tp -93.94 110.17 21.86 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.091 -0.504 . . . . 73.33 109.843 -178.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . 0.563 ' HA ' ' O ' ' A' ' 137' ' ' VAL . 28.9 ttm180 -99.58 116.89 32.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.63 -0.714 . . . . 73.43 110.454 -177.2 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.425 HG13 ' CD2' ' A' ' 103' ' ' LEU . 34.3 t -112.83 104.0 16.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.357 -0.383 . . . . 72.23 110.675 -174.26 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -105.91 101.67 11.15 Favored 'General case' 0 N--CA 1.466 0.332 0 N-CA-C 112.088 0.403 . . . . 73.1 112.088 -174.178 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.614 ' HB2' HD23 ' A' ' 106' ' ' LEU . 4.0 mm? -101.18 133.68 20.81 Favored Pre-proline 0 N--CA 1.466 0.338 0 CA-C-N 115.935 -0.575 . . . . 73.31 109.797 174.156 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . 0.522 ' HD3' ' HA ' ' A' ' 77' ' ' THR . 74.4 Cg_endo -76.2 148.71 31.09 Favored 'Trans proline' 0 N--CA 1.459 -0.517 0 C-N-CA 122.715 2.277 . . . . 73.52 111.945 177.521 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 64.42 14.57 57.51 Favored Glycine 0 CA--C 1.524 0.63 0 CA-C-N 115.332 -0.849 . . . . 54.45 112.869 -178.654 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.614 HD23 ' HB2' ' A' ' 103' ' ' LEU . 40.5 tp -118.74 138.87 52.36 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-O 120.974 0.416 . . . . 65.03 110.67 -178.738 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -76.48 161.22 28.81 Favored 'General case' 0 CA--C 1.509 -0.628 0 CA-C-N 115.765 -0.652 . . . . 72.42 110.218 178.416 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . 0.572 ' O ' ' HG3' ' A' ' 112' ' ' LYS . . . -68.13 -43.71 77.76 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 115.542 -0.753 . . . . 74.35 109.645 170.112 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -57.64 -51.01 71.25 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 115.801 -0.636 . . . . 64.13 110.844 -178.184 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . 0.473 ' O ' HG22 ' A' ' 113' ' ' THR . . . -68.34 -43.18 78.09 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 115.936 -0.574 . . . . 73.25 110.004 179.143 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -55.26 -35.32 64.88 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 115.757 -0.656 . . . . 54.13 111.694 178.673 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . 0.572 ' HG3' ' O ' ' A' ' 108' ' ' ALA . 68.3 mttm -52.11 -45.62 64.96 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-O 120.534 0.207 . . . . 74.23 111.106 178.455 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' THR . . . . . 0.473 HG22 ' O ' ' A' ' 110' ' ' ALA . 1.6 t -82.2 -37.89 25.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.45 -0.341 . . . . 74.22 110.558 -177.468 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.441 ' HG ' ' O ' ' A' ' 110' ' ' ALA . 44.7 mt -63.17 -50.07 71.82 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-O 120.942 0.401 . . . . 61.01 110.584 -177.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 97.6 t -65.07 -33.08 61.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.918 -0.583 . . . . 72.22 110.086 178.562 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -60.87 -61.01 2.9 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-O 120.926 0.393 . . . . 65.51 110.909 179.537 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . 0.457 ' HG2' ' O ' ' A' ' 113' ' ' THR . 13.7 ptm180 -62.09 -40.96 97.6 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.54 -0.754 . . . . 65.24 110.739 -178.14 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . 0.419 ' HB3' ' SD ' ' A' ' 62' ' ' MET . . . -59.89 -44.48 94.2 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.239 0.542 . . . . 63.41 110.061 176.372 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . 0.62 ' CE1' HG23 ' A' ' 128' ' ' THR . 43.5 t-80 -79.76 10.01 4.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.496 -0.775 . . . . 74.13 110.522 -179.612 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 6.2 t60 -108.7 -42.79 4.42 Favored 'General case' 0 C--N 1.333 -0.137 0 N-CA-C 109.806 -0.442 . . . . 75.14 109.806 173.584 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 34.3 m -82.79 -33.9 11.11 Favored 'Isoleucine or valine' 0 C--O 1.234 0.251 0 CA-C-N 115.997 -0.547 . . . . 74.54 112.069 -175.134 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' CYS . . . . . 0.532 ' O ' ' HB2' ' A' ' 125' ' ' SER . 74.7 m -68.3 149.51 98.05 Favored Pre-proline 0 CA--C 1.532 0.267 0 CA-C-N 116.869 -0.15 . . . . 72.12 110.601 179.301 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -65.73 171.26 9.96 Favored 'Trans proline' 0 C--N 1.352 0.729 0 C-N-CA 122.582 2.188 . . . . 75.04 112.525 -178.696 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 68.04 4.75 4.22 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 123.382 0.673 . . . . 65.44 109.835 -176.092 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' SER . . . . . 0.621 ' O ' ' HG2' ' A' ' 129' ' ' ARG . 41.3 t -58.63 -53.48 57.91 Favored 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 123.731 0.812 . . . . 65.33 112.571 -169.683 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 29.9 p-10 -69.52 -35.9 75.91 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.208 0.527 . . . . 73.42 110.105 -170.145 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -83.25 5.33 23.38 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.459 -0.791 . . . . 54.1 111.292 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 128' ' ' THR . . . . . 0.62 HG23 ' CE1' ' A' ' 119' ' ' HIS . 1.7 t -129.23 11.41 5.92 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.071 0.462 . . . . 73.21 110.752 -175.317 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . 0.621 ' HG2' ' O ' ' A' ' 125' ' ' SER . 15.1 ptm180 -153.06 -43.73 0.1 Allowed 'General case' 0 N--CA 1.446 -0.639 0 CA-C-O 120.897 0.379 . . . . 72.04 111.292 170.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 14.7 m120 -78.66 -50.35 11.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.291 -0.413 . . . . 71.52 111.056 -175.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -89.52 -27.38 20.33 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.126 -0.488 . . . . 72.12 111.831 -173.248 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 59.3 t -123.52 145.73 30.05 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.248 0 CA-C-O 120.666 0.269 . . . . 70.22 110.601 -173.714 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -75.57 92.03 2.88 Favored 'General case' 0 C--O 1.238 0.494 0 CA-C-O 121.631 0.729 . . . . 45.42 111.396 -176.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . 0.536 HG21 ' HB ' ' A' ' 97' ' ' VAL . 61.3 t -119.75 109.61 26.71 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.57 0 CA-C-N 114.844 -1.071 . . . . 75.02 110.507 177.569 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 8.2 mmm-85 -80.8 114.06 19.43 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.631 -0.713 . . . . 74.34 109.365 178.141 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . 0.496 HD13 ' ND1' ' A' ' 119' ' ' HIS . 16.6 mt -84.47 101.88 12.38 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.19 0.519 . . . . 50.04 110.6 179.686 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . 0.563 ' O ' ' HA ' ' A' ' 100' ' ' ARG . 0.2 OUTLIER -105.43 112.45 38.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 115.494 -0.775 . . . . 74.42 109.614 178.247 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 4.1 m -91.26 139.05 18.37 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-N 115.523 -0.762 . . . . 71.15 109.958 -177.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.312 -1.042 0 CA-C-N 115.677 -0.692 . . . . 73.13 110.861 -176.012 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 1' ' ' MET . . . . . 0.427 ' HE3' ' HB3' ' A' ' 94' ' ' ALA . 19.8 ptt? . . . . . 0 C--O 1.236 0.345 0 CA-C-O 121.116 0.484 . . . . 72.42 110.899 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 55.2 t30 -78.34 70.35 4.68 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.791 -0.64 . . . . 61.35 110.501 178.138 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . 0.526 HG23 ' HB2' ' B' ' 6' ' ' LYS . 28.6 mm -62.84 137.84 23.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 115.691 -0.686 . . . . 72.42 111.226 176.205 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . 0.733 ' HG ' ' HD3' ' A' ' 87' ' ' PRO . 94.4 mt -90.46 -47.15 7.89 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.797 -0.638 . . . . 75.25 109.871 174.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 5' ' ' TYR . . . . . . . . . . . . . 39.5 t80 -136.78 128.12 28.25 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 116.033 -0.531 . . . . 75.45 110.158 -179.005 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . 0.526 ' HB2' HG23 ' B' ' 3' ' ' ILE . 31.8 ttmt -133.24 128.91 36.9 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.202 0.525 . . . . 65.01 110.711 178.042 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 8.5 t -119.95 138.14 53.64 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.619 -0.719 . . . . 73.02 109.543 -179.597 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . 0.467 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . . . -114.82 136.05 53.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.32 -0.4 . . . . 64.22 110.823 -177.094 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . 0.711 ' HA ' ' HA ' ' B' ' 21' ' ' SER . . . -127.03 120.89 30.1 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.089 0.471 . . . . 71.2 110.861 179.583 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 60.9 m -96.85 114.02 25.61 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.565 -0.743 . . . . 64.31 110.037 -179.617 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 11.8 p -106.12 113.48 27.04 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.845 -0.616 . . . . 74.14 110.477 178.415 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 3.2 m -93.11 156.24 16.98 Favored 'General case' 0 C--O 1.241 0.637 0 CA-C-N 115.92 -0.582 . . . . 73.24 110.875 -179.134 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -78.06 74.39 2.03 Favored Glycine 0 N--CA 1.446 -0.689 0 CA-C-N 115.909 -0.587 . . . . 71.12 111.94 175.483 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -67.78 -138.89 0.06 OUTLIER Glycine 0 CA--C 1.521 0.426 0 C-N-CA 121.347 -0.454 . . . . 73.4 112.098 175.629 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 18.0 mmm180 -65.43 -50.6 64.81 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 117.225 0.512 . . . . 65.14 110.623 176.707 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 16' ' ' ASP . . . . . 0.522 ' HB3' ' HA ' ' B' ' 31' ' ' SER . 10.4 t70 -125.72 -43.12 1.88 Allowed 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.129 -0.693 . . . . 65.33 109.129 172.056 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 17' ' ' GLY . . . . . 0.41 ' HA3' ' CD2' ' B' ' 30' ' ' LEU . . . -164.89 151.85 21.09 Favored Glycine 0 C--N 1.342 0.9 0 C-N-CA 120.204 -0.998 . . . . 74.22 111.768 163.534 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 26.1 tpt85 -132.02 100.99 5.24 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.769 -0.456 . . . . 74.4 109.769 -179.528 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 19' ' ' ALA . . . . . 0.529 ' HB3' ' HB3' ' A' ' 52' ' ' ALA . . . -99.5 124.03 44.3 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 120.558 0.218 . . . . 64.31 110.444 -174.24 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 30.2 m -138.46 112.31 8.4 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 110.483 -0.191 . . . . 75.11 110.483 -177.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 21' ' ' SER . . . . . 0.711 ' HA ' ' HA ' ' B' ' 9' ' ' ALA . 13.1 t -65.21 107.21 1.51 Allowed 'General case' 0 C--O 1.245 0.851 0 N-CA-C 106.697 -1.594 . . . . 74.21 106.697 179.096 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 22' ' ' HIS . . . . . 0.481 ' H ' ' HA ' ' B' ' 9' ' ' ALA . 39.8 t-80 -55.0 -26.3 36.03 Favored 'General case' 0 C--N 1.348 0.501 0 O-C-N 126.462 2.351 . . . . 73.12 112.644 -165.195 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -80.48 17.27 1.12 Allowed 'General case' 0 C--N 1.317 -0.815 0 CA-C-O 121.292 0.568 . . . . 63.54 109.907 178.66 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 24' ' ' GLN . . . . . 0.408 ' H ' ' C ' ' B' ' 22' ' ' HIS . 28.1 mm-40 68.38 29.78 5.68 Favored 'General case' 0 CA--C 1.518 -0.276 0 CA-C-N 114.783 -1.099 . . . . 71.43 110.565 173.392 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . 0.625 ' HZ2' ' HB2' ' B' ' 25' ' ' LYS . 8.2 mtmp? -103.23 -11.0 18.3 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 115.665 -0.698 . . . . 41.25 112.157 176.439 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . 0.582 ' HB3' ' HB2' ' B' ' 21' ' ' SER . 50.1 tp -150.16 148.56 29.1 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 119.582 -0.847 . . . . 73.34 110.95 173.142 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -158.34 91.0 1.06 Allowed 'General case' 0 CA--C 1.536 0.415 0 O-C-N 123.497 0.498 . . . . 53.33 110.403 178.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 4.9 m -143.28 177.91 2.27 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.441 0 CA-C-O 121.686 0.755 . . . . 74.12 112.175 178.712 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -126.48 146.48 50.09 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 114.752 -1.113 . . . . 74.12 109.728 179.333 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . 0.859 ' HA ' ' H ' ' B' ' 44' ' ' THR . 0.0 OUTLIER -129.05 166.07 19.94 Favored 'General case' 0 C--O 1.253 1.251 0 CA-C-O 120.65 0.262 . . . . 72.32 110.446 176.257 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 31' ' ' SER . . . . . 0.522 ' HA ' ' HB3' ' B' ' 16' ' ' ASP . 29.9 m -155.05 135.56 13.39 Favored 'General case' 0 N--CA 1.455 -0.195 0 CA-C-N 115.562 -0.744 . . . . 62.35 111.115 -174.337 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -74.72 130.38 81.58 Favored Pre-proline 0 C--O 1.239 0.526 0 CA-C-N 116.288 -0.414 . . . . 75.13 110.463 175.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 33' ' ' PRO . . . . . 0.575 ' HG2' HD21 ' B' ' 36' ' ' LEU . 9.9 Cg_endo -51.33 122.26 9.82 Favored 'Trans proline' 0 C--N 1.351 0.664 0 C-N-CA 122.671 2.247 . . . . 72.21 111.532 179.36 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 34' ' ' ARG . . . . . 0.497 ' HB2' ' HA2' ' B' ' 40' ' ' GLY . 0.6 OUTLIER -51.04 -37.21 44.02 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 115.409 -0.814 . . . . 71.43 110.934 -174.393 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -50.6 -38.18 44.23 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 115.932 -0.576 . . . . 72.42 112.509 -172.013 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . 0.575 HD21 ' HG2' ' B' ' 33' ' ' PRO . 1.7 mm? -88.58 -26.53 21.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.779 0.323 . . . . 63.52 110.573 -174.38 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 135.67 44.67 0.1 OUTLIER Glycine 0 C--N 1.331 0.251 0 C-N-CA 121.13 -0.557 . . . . 51.22 112.592 179.154 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -100.37 -137.25 9.71 Favored Glycine 0 N--CA 1.445 -0.747 0 N-CA-C 111.294 -0.723 . . . . 64.12 111.294 178.457 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -116.48 -8.19 11.59 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 120.805 0.336 . . . . 71.25 111.576 -177.177 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 40' ' ' GLY . . . . . 0.497 ' HA2' ' HB2' ' B' ' 34' ' ' ARG . . . 64.5 24.65 69.53 Favored Glycine 0 C--N 1.333 0.395 0 C-N-CA 121.108 -0.568 . . . . 53.13 112.762 -176.392 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -78.56 161.63 26.87 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.747 0.308 . . . . 75.21 110.873 -177.522 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -87.91 37.21 0.79 Allowed 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 116.246 -0.434 . . . . 74.14 112.061 -173.199 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -97.7 -162.23 31.22 Favored Glycine 0 CA--C 1.521 0.416 0 C-N-CA 121.195 -0.526 . . . . 72.12 112.527 178.77 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 44' ' ' THR . . . . . 0.859 ' H ' ' HA ' ' B' ' 30' ' ' LEU . 62.0 m -98.5 133.03 43.44 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 110.276 -0.268 . . . . 70.51 110.276 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 45' ' ' ASN . . . . . 0.542 ' HB2' ' HB3' ' B' ' 48' ' ' GLN . 2.4 m-20 -61.62 141.51 94.81 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 116.92 -0.127 . . . . 71.14 111.105 -179.221 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 46' ' ' PRO . . . . . 0.41 ' HB3' ' SG ' ' A' ' 57' ' ' CYS . 26.4 Cg_exo -63.58 -55.32 0.72 Allowed 'Trans proline' 0 C--N 1.35 0.641 0 C-N-CA 123.225 2.617 . . . . 54.41 112.913 -178.318 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 47' ' ' GLU . . . . . 0.453 ' OE1' ' HB3' ' B' ' 45' ' ' ASN . 1.4 pm0 -65.2 -35.51 81.28 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-O 121.158 0.504 . . . . 73.03 110.092 -178.606 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . 0.542 ' HB3' ' HB2' ' B' ' 45' ' ' ASN . 24.6 tt0 -60.7 -40.33 91.86 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.57 -0.741 . . . . 65.22 110.128 173.892 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 49' ' ' LEU . . . . . 0.458 HD11 ' HA3' ' A' ' 53' ' ' GLY . 3.4 tm? -64.82 -50.97 64.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.196 -0.911 . . . . 73.15 110.238 -178.595 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 35.5 t80 -59.47 -49.79 76.42 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.398 -0.364 . . . . 74.53 110.585 178.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -53.16 -50.39 64.69 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.294 -0.412 . . . . 63.22 111.205 178.613 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.34 -49.04 79.34 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-N 116.069 -0.514 . . . . 74.31 111.136 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . 0.508 ' HA3' HD13 ' A' ' 49' ' ' LEU . . . -64.82 -36.52 93.2 Favored Glycine 0 N--CA 1.451 -0.339 0 CA-C-N 115.843 -0.617 . . . . 73.22 112.168 -179.053 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -70.83 -35.9 72.67 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.717 -0.475 . . . . 73.43 109.717 179.671 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 10.3 t -63.81 -50.92 67.04 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 116.059 -0.519 . . . . 71.55 109.65 178.106 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.92 -41.12 95.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.671 -0.695 . . . . 72.32 110.763 179.245 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 57' ' ' CYS . . . . . . . . . . . . . 51.9 t -63.43 -38.02 89.52 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.892 -0.594 . . . . 72.4 109.98 178.426 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 27.2 t80 -67.0 -35.37 79.8 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.01 -0.541 . . . . 61.11 109.615 -178.069 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . 0.419 ' O ' ' HG3' ' B' ' 63' ' ' LYS . 60.5 tp -64.24 -54.18 37.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.608 -0.724 . . . . 73.31 110.531 178.139 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 60' ' ' SER . . . . . 0.641 ' HA ' ' HD3' ' B' ' 63' ' ' LYS . 9.5 t -65.17 -41.71 94.41 Favored 'General case' 0 C--O 1.238 0.457 0 CA-C-O 121.122 0.487 . . . . 73.23 110.394 -178.226 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 61' ' ' ALA . . . . . 0.426 ' O ' HG22 ' B' ' 65' ' ' VAL . . . -59.63 -45.13 92.87 Favored 'General case' 0 C--N 1.334 -0.104 0 CA-C-N 115.968 -0.56 . . . . 44.1 110.225 177.305 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 62' ' ' MET . . . . . 0.465 ' HE2' ' HA ' ' B' ' 62' ' ' MET . 5.3 tpt -56.63 -39.09 73.04 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 115.849 -0.614 . . . . 71.0 110.212 177.239 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . 0.641 ' HD3' ' HA ' ' B' ' 60' ' ' SER . 56.1 mtpt -62.41 -51.98 65.37 Favored 'General case' 0 CA--C 1.53 0.178 0 CA-C-N 115.828 -0.623 . . . . 72.03 110.67 178.049 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 47.2 t80 -63.17 -37.29 86.64 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 121.017 0.436 . . . . 73.11 110.646 179.634 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 65' ' ' VAL . . . . . 0.426 HG22 ' O ' ' B' ' 61' ' ' ALA . 38.4 t -59.05 -43.08 88.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.048 -0.524 . . . . 75.05 110.152 176.596 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -58.84 -31.54 68.6 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.073 -0.512 . . . . 74.13 110.515 177.406 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -71.16 -29.86 68.19 Favored Glycine 0 C--N 1.329 0.192 0 CA-C-N 115.495 -0.775 . . . . 75.04 112.222 -177.227 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -97.25 -14.5 21.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.223 0.535 . . . . 64.5 109.702 179.624 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 11.4 m-80 -95.62 -1.53 50.06 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.421 -0.809 . . . . 65.21 110.813 176.299 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 61.24 29.59 18.78 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 115.95 -0.568 . . . . 73.12 111.422 174.362 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -118.65 166.21 13.02 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.574 -0.739 . . . . 74.24 110.397 179.62 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 15.4 p -126.83 125.82 42.31 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.053 -0.521 . . . . 74.12 111.176 -176.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 73' ' ' LEU . . . . . 0.433 ' CD2' ' HG3' ' B' ' 62' ' ' MET . 0.2 OUTLIER -109.82 140.92 22.71 Favored Pre-proline 0 C--N 1.326 -0.44 0 CA-C-N 115.985 -0.552 . . . . 75.15 111.27 179.457 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 74' ' ' PRO . . . . . 0.601 ' HD2' HD12 ' B' ' 103' ' ' LEU . 32.5 Cg_exo -60.73 120.74 8.64 Favored 'Trans proline' 0 C--N 1.349 0.584 0 C-N-CA 122.764 2.309 . . . . 74.32 111.399 172.387 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -77.01 -4.4 43.93 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.016 0.376 . . . . 71.53 112.016 -176.237 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -80.99 1.96 28.97 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-O 121.351 0.596 . . . . 60.22 110.932 -179.515 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 77' ' ' THR . . . . . 0.497 ' HB ' HD22 ' B' ' 103' ' ' LEU . 3.2 t -69.61 167.63 16.49 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.597 -0.729 . . . . 73.25 112.439 -176.148 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 78' ' ' THR . . . . . 0.614 HG22 ' HA ' ' A' ' 12' ' ' THR . 1.2 p -138.34 149.51 45.68 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.133 -0.94 . . . . 71.23 110.064 176.22 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 91.5 t -129.27 120.13 50.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 N-CA-C 109.409 -0.589 . . . . 54.24 109.409 175.129 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 80' ' ' THR . . . . . 0.529 ' HA ' ' HA ' ' A' ' 10' ' ' THR . 8.0 m -111.11 110.79 21.47 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 116.288 -0.414 . . . . 75.2 110.756 -177.443 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -92.92 106.81 18.72 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.093 -0.503 . . . . 73.43 109.679 177.775 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 82' ' ' GLU . . . . . 0.403 ' HA ' ' HA ' ' A' ' 8' ' ' ALA . 31.8 tt0 -98.59 107.72 20.24 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 108.817 -0.808 . . . . 71.23 108.817 178.381 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 7.4 p -103.86 134.61 44.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.044 -0.526 . . . . 71.44 111.196 -173.043 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 84' ' ' GLY . . . . . . . . . . . . . . . -127.28 167.2 19.76 Favored Glycine 0 N--CA 1.443 -0.881 0 CA-C-N 115.724 -0.671 . . . . 52.45 111.661 175.608 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -146.7 135.4 16.0 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.816 0 N-CA-C 109.272 -0.64 . . . . 73.1 109.272 178.394 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -155.25 169.65 33.25 Favored Glycine 0 N--CA 1.452 -0.26 0 N-CA-C 111.081 -0.808 . . . . 52.3 111.081 -178.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 87' ' ' PRO . . . . . 0.641 ' HD3' ' HG ' ' A' ' 4' ' ' LEU . 94.3 Cg_endo -82.44 142.09 11.61 Favored 'Trans proline' 0 N--CA 1.455 -0.786 0 C-N-CA 122.326 2.017 . . . . 70.05 112.786 -176.513 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 88' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -84.67 155.33 22.0 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.686 -0.857 . . . . 72.3 108.686 173.056 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -63.96 -11.48 28.99 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 120.689 0.28 . . . . 71.21 111.724 -176.572 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -71.01 -27.34 63.61 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-O 121.178 0.513 . . . . 74.05 110.484 175.546 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.19 34.16 3.76 Favored Glycine 0 N--CA 1.455 -0.099 0 CA-C-N 115.587 -0.733 . . . . 72.2 111.79 -175.367 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 92' ' ' GLY . . . . . 0.442 ' O ' ' HA ' ' B' ' 87' ' ' PRO . . . -134.3 -169.52 12.03 Favored Glycine 0 C--O 1.229 -0.213 0 N-CA-C 110.694 -0.962 . . . . 70.13 110.694 177.512 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 93' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -98.48 153.16 18.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 117.576 0.688 . . . . 73.12 111.124 179.446 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -143.19 139.82 30.48 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.533 -0.758 . . . . 62.21 109.314 178.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -103.45 145.42 30.03 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-O 121.147 0.499 . . . . 74.21 111.429 -175.32 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 96' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -126.86 133.68 50.67 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 114.97 -1.014 . . . . 73.53 109.241 -179.49 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 97' ' ' VAL . . . . . 0.517 ' HB ' HG23 ' B' ' 134' ' ' VAL . 61.3 t -137.74 110.95 7.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.81 0.338 . . . . 65.34 110.277 178.901 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 98' ' ' GLU . . . . . 0.455 ' HG2' ' HB2' ' B' ' 135' ' ' ARG . 40.6 mt-10 -98.62 111.75 24.02 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.709 -0.478 . . . . 74.42 109.709 176.559 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 88.3 mt -93.67 106.99 18.92 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 116.353 -0.385 . . . . 75.14 109.974 -178.174 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 100' ' ' ARG . . . . . 0.593 ' HA ' ' O ' ' B' ' 137' ' ' VAL . 77.8 ttt180 -99.53 106.89 18.94 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.537 -0.756 . . . . 70.24 110.475 -174.417 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 101' ' ' VAL . . . . . . . . . . . . . 84.9 t -97.49 99.44 8.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 116.434 -0.348 . . . . 60.12 110.54 -175.177 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 102' ' ' ALA . . . . . 0.51 ' HA ' ' HB3' ' B' ' 139' ' ' ALA . . . -91.95 101.21 13.77 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.357 -0.609 . . . . 53.32 109.357 178.442 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 103' ' ' LEU . . . . . 0.601 HD12 ' HD2' ' B' ' 74' ' ' PRO . 0.3 OUTLIER -112.68 118.59 44.79 Favored Pre-proline 0 C--N 1.326 -0.428 0 CA-C-N 115.521 -0.763 . . . . 72.24 109.423 -174.745 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 104' ' ' PRO . . . . . 0.479 ' HD2' HD13 ' B' ' 103' ' ' LEU . 65.2 Cg_endo -72.7 150.06 49.76 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.456 2.104 . . . . 74.24 112.524 179.183 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 105' ' ' GLY . . . . . . . . . . . . . . . 64.72 15.21 59.51 Favored Glycine 0 CA--C 1.521 0.412 0 CA-C-N 115.548 -0.751 . . . . 72.34 113.224 179.432 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 106' ' ' LEU . . . . . 0.417 HD23 ' HA ' ' B' ' 111' ' ' ALA . 31.9 tp -124.77 137.0 54.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.112 0.482 . . . . 65.44 110.952 -178.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -80.58 145.9 31.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.303 -0.862 . . . . 63.12 110.454 176.718 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 108' ' ' ALA . . . . . 0.466 ' O ' ' HG3' ' B' ' 112' ' ' LYS . . . -61.71 -37.4 84.02 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.515 -0.311 . . . . 74.55 111.058 -179.552 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -56.28 -46.21 79.82 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-N 116.14 -0.482 . . . . 64.51 110.937 -179.408 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 110' ' ' ALA . . . . . 0.563 ' O ' HG22 ' B' ' 113' ' ' THR . . . -77.75 -38.67 46.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.801 -0.636 . . . . 72.03 110.32 178.66 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 111' ' ' ALA . . . . . 0.417 ' HA ' HD23 ' B' ' 106' ' ' LEU . . . -54.76 -39.03 67.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.815 -0.63 . . . . 64.14 111.1 -178.64 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 112' ' ' LYS . . . . . 0.466 ' HG3' ' O ' ' B' ' 108' ' ' ALA . 98.6 mttt -58.08 -44.3 87.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.107 -0.497 . . . . 74.45 110.978 178.66 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 113' ' ' THR . . . . . 0.563 HG22 ' O ' ' B' ' 110' ' ' ALA . 1.1 t -73.03 -34.62 66.45 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 121.018 -0.273 . . . . 72.03 110.308 -177.846 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 114' ' ' LEU . . . . . 0.431 ' HG ' ' O ' ' B' ' 110' ' ' ALA . 52.9 mt -65.27 -49.9 67.79 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 116.388 -0.369 . . . . 72.05 110.419 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 115' ' ' VAL . . . . . . . . . . . . . 90.8 t -64.33 -37.39 79.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.043 -0.526 . . . . 63.55 110.327 178.437 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -58.77 -56.38 23.01 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 116.153 -0.476 . . . . 75.43 110.658 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 117' ' ' ARG . . . . . 0.414 ' HG2' ' O ' ' B' ' 113' ' ' THR . 1.9 ptm180 -65.71 -42.57 90.98 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-N 116.189 -0.459 . . . . 70.2 110.935 -177.184 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -59.99 -47.59 85.21 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 121.243 0.544 . . . . 61.11 110.854 -179.591 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 119' ' ' HIS . . . . . 0.568 ' HE2' ' HB3' ' B' ' 129' ' ' ARG . 19.9 t60 -73.1 -10.91 60.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.514 -0.766 . . . . 74.31 110.784 -178.084 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 58.1 t-80 -96.71 -45.86 6.51 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.351 -0.386 . . . . 73.32 111.198 -178.389 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 35.4 m -69.79 -35.49 65.46 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.24 0 CA-C-N 116.085 -0.507 . . . . 73.14 111.603 -174.783 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 122' ' ' CYS . . . . . . . . . . . . . 52.9 t -153.8 79.62 5.22 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 120.879 0.371 . . . . 74.53 111.522 -179.155 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 123' ' ' PRO . . . . . . . . . . . . . 96.5 Cg_endo -88.33 163.36 6.87 Favored 'Trans proline' 0 N--CA 1.456 -0.695 0 C-N-CA 122.703 2.269 . . . . 65.25 110.908 171.15 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 124' ' ' TYR . . . . . 0.412 ' O ' ' HB ' ' B' ' 128' ' ' THR . 2.1 t80 . . . . . 0 C--N 1.331 -0.219 0 N-CA-C 108.313 -0.995 . . . . 65.35 108.313 174.636 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 128' ' ' THR . . . . . 0.412 ' HB ' ' O ' ' B' ' 124' ' ' TYR . 5.9 t . . . . . 0 CA--C 1.516 -0.362 0 N-CA-C 108.497 -0.927 . . . . 64.4 108.497 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 129' ' ' ARG . . . . . 0.568 ' HB3' ' HE2' ' B' ' 119' ' ' HIS . 17.0 ptt180 -122.3 -41.83 2.39 Favored 'General case' 0 N--CA 1.445 -0.704 0 CA-C-N 114.893 -1.049 . . . . 75.21 111.117 -176.471 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 130' ' ' ASN . . . . . . . . . . . . . 13.6 m120 -73.45 -47.13 44.04 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 116.402 -0.363 . . . . 74.14 111.339 176.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 131' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -78.15 -43.93 27.4 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 121.085 0.469 . . . . 75.43 110.531 -177.236 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 132' ' ' VAL . . . . . . . . . . . . . 24.7 t -95.09 136.33 26.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.563 -0.744 . . . . 62.31 110.331 -178.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 133' ' ' ALA . . . . . . . . . . . . . . . -77.53 90.07 3.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.358 0.599 . . . . 72.23 110.792 -179.2 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 134' ' ' VAL . . . . . 0.517 HG23 ' HB ' ' B' ' 97' ' ' VAL . 87.7 t -105.16 129.7 57.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.284 -0.871 . . . . 64.53 110.788 -178.248 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 135' ' ' ARG . . . . . 0.455 ' HB2' ' HG2' ' B' ' 98' ' ' GLU . 19.4 mmt-85 -102.98 121.3 42.25 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 108.863 -0.791 . . . . 74.32 108.863 174.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 71.4 mt -88.87 109.34 20.12 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.196 0.522 . . . . 72.41 109.915 177.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 137' ' ' VAL . . . . . 0.593 ' O ' ' HA ' ' B' ' 100' ' ' ARG . 0.2 OUTLIER -117.08 115.99 50.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.332 -0.849 . . . . 74.23 110.07 -178.058 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 138' ' ' VAL . . . . . 0.4 HG11 ' HA ' ' B' ' 112' ' ' LYS . 4.6 m -94.94 138.35 21.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 116.027 -0.533 . . . . 70.52 109.995 179.501 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 139' ' ' ALA . . . . . 0.51 ' HB3' ' HA ' ' B' ' 102' ' ' ALA . . . . . . . . 0 C--N 1.313 -0.992 0 CA-C-N 115.288 -0.869 . . . . 71.35 110.28 -174.032 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.7 ptt? . . . . . 0 N--CA 1.486 1.36 0 CA-C-O 120.593 0.235 . . . . 71.43 110.841 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 48.9 t30 -72.21 78.63 0.97 Allowed 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 121.287 0.565 . . . . 75.52 110.813 176.33 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.519 HG22 ' HB2' ' A' ' 6' ' ' LYS . 34.7 mm -72.92 135.1 28.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.769 -0.65 . . . . 51.02 112.078 176.138 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.671 ' HG ' ' HD3' ' B' ' 87' ' ' PRO . 86.5 mt -88.6 -42.93 11.73 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.497 -0.774 . . . . 74.21 110.022 173.162 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . 0.496 ' CD2' ' HB3' ' B' ' 35' ' ' GLU . 61.4 t80 -143.4 136.54 27.91 Favored 'General case' 0 C--O 1.222 -0.383 0 CA-C-N 116.443 -0.344 . . . . 73.42 110.486 178.721 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.556 ' HD3' ' HG2' ' B' ' 82' ' ' GLU . 29.7 ttmt -141.43 137.98 32.6 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.322 -0.399 . . . . 62.42 110.353 178.393 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 9.6 t -135.46 147.44 48.91 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.465 -0.789 . . . . 73.02 109.147 -178.32 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.421 ' HA ' ' HA ' ' B' ' 82' ' ' GLU . . . -111.74 156.4 21.97 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 121.616 0.722 . . . . 64.34 112.466 -171.208 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.769 ' HB3' HE21 ' B' ' 48' ' ' GLN . . . -146.34 125.26 12.74 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.163 -0.926 . . . . 73.03 109.763 174.872 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 10.7 t -106.28 129.36 54.32 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.733 -0.469 . . . . 73.43 109.733 178.381 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 22.4 t -113.21 119.3 37.27 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.25 -0.432 . . . . 74.42 110.11 179.199 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.543 ' HA ' HG22 ' B' ' 78' ' ' THR . 4.4 m -98.13 156.37 16.7 Favored 'General case' 0 C--O 1.238 0.477 0 CA-C-N 116.248 -0.433 . . . . 72.12 110.545 179.636 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -90.37 77.28 1.56 Allowed Glycine 0 N--CA 1.448 -0.552 0 N-CA-C 111.493 -0.643 . . . . 62.44 111.493 175.659 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -62.72 -109.2 0.01 OUTLIER Glycine 0 C--N 1.333 0.391 0 C-N-CA 121.039 -0.6 . . . . 62.02 112.015 176.272 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 33.1 ttm180 -88.74 -49.53 6.79 Favored 'General case' 0 C--N 1.332 -0.154 0 O-C-N 122.383 -0.481 . . . . 73.04 109.933 173.261 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -125.67 -43.5 1.87 Allowed 'General case' 0 N--CA 1.467 0.379 0 N-CA-C 109.927 -0.397 . . . . 74.22 109.927 178.105 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.507 ' O ' ' HG3' ' A' ' 29' ' ' LYS . . . -169.84 157.88 29.7 Favored Glycine 0 C--N 1.341 0.842 0 C-N-CA 120.295 -0.955 . . . . 73.12 111.447 161.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.63 ' HA ' ' HA ' ' A' ' 29' ' ' LYS . 7.0 tmm_? -143.57 120.67 11.44 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 117.316 0.558 . . . . 73.24 109.981 177.72 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.475 ' HB3' ' HB2' ' B' ' 56' ' ' ALA . . . -107.94 136.02 48.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.356 -0.384 . . . . 71.12 110.616 -177.179 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 30.0 m -140.66 113.68 8.39 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.318 -0.401 . . . . 65.23 110.708 -179.679 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.512 ' HB3' ' N ' ' A' ' 26' ' ' LEU . 44.2 t -70.2 109.9 4.9 Favored 'General case' 0 C--O 1.246 0.904 0 N-CA-C 107.965 -1.124 . . . . 62.3 107.965 175.153 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.456 ' C ' ' H ' ' A' ' 24' ' ' GLN . 40.9 t-80 -57.01 -23.76 48.6 Favored 'General case' 0 N--CA 1.471 0.621 0 O-C-N 126.121 2.138 . . . . 71.44 112.679 -166.873 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.463 ' CB ' ' HE3' ' A' ' 25' ' ' LYS . 3.2 m-20 -80.0 16.49 1.19 Allowed 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.353 0.597 . . . . 73.43 109.698 178.789 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.456 ' H ' ' C ' ' A' ' 22' ' ' HIS . 27.1 mm-40 68.69 18.53 8.73 Favored 'General case' 0 CA--C 1.517 -0.295 0 CA-C-N 114.555 -1.202 . . . . 72.53 109.41 177.466 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.481 ' HB2' ' OG ' ' A' ' 21' ' ' SER . 97.6 mttt -76.47 -29.87 57.08 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-N 114.713 -1.131 . . . . 73.44 110.411 179.561 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.512 ' N ' ' HB3' ' A' ' 21' ' ' SER . 47.8 tp -153.43 148.89 27.18 Favored 'General case' 0 CA--C 1.51 -0.586 0 C-N-CA 119.699 -0.8 . . . . 74.42 112.151 -176.523 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -158.16 90.86 1.07 Allowed 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 114.94 -1.027 . . . . 74.5 110.29 -179.006 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.489 ' O ' ' HG2' ' A' ' 18' ' ' ARG . 6.6 m -145.21 176.92 1.85 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.569 0 CA-C-O 121.366 0.603 . . . . 62.12 111.692 179.687 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.63 ' HA ' ' HA ' ' A' ' 18' ' ' ARG . 30.6 tttm -124.89 143.87 50.62 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.218 -0.901 . . . . 62.42 110.381 -177.61 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.61 ' HA ' ' H ' ' A' ' 44' ' ' THR . 0.0 OUTLIER -125.37 167.08 15.44 Favored 'General case' 0 C--O 1.259 1.596 0 CA-C-O 121.178 0.513 . . . . 73.21 111.039 176.421 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.5 m -148.11 147.71 29.81 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 114.706 -1.133 . . . . 75.34 110.422 -173.605 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -78.08 137.02 61.25 Favored Pre-proline 0 C--O 1.241 0.644 0 CA-C-N 116.537 -0.302 . . . . 52.21 110.692 176.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 28.2 Cg_endo -61.97 115.66 2.97 Favored 'Trans proline' 0 C--N 1.35 0.637 0 C-N-CA 122.769 2.313 . . . . 73.33 112.021 -177.069 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.601 ' HB2' ' N ' ' A' ' 40' ' ' GLY . 68.5 ttt-85 -81.97 55.17 2.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.371 0.605 . . . . 64.52 111.089 -176.709 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 71.3 mm-40 -117.62 -22.03 8.27 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.617 -0.72 . . . . 75.14 109.573 173.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 52.6 mt -122.33 11.47 10.04 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 115.512 -0.767 . . . . 73.53 110.479 -175.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 106.67 65.74 0.63 Allowed Glycine 0 C--N 1.331 0.3 0 CA-C-N 116.0 -0.545 . . . . 72.22 112.217 -178.236 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -132.73 -137.94 4.01 Favored Glycine 0 C--N 1.335 0.511 0 N-CA-C 111.491 -0.643 . . . . 73.44 111.491 179.037 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -123.73 -27.22 4.01 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 111.514 0.191 . . . . 63.22 111.514 -177.169 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.601 ' N ' ' HB2' ' A' ' 34' ' ' ARG . . . 48.31 40.21 22.21 Favored Glycine 0 C--N 1.336 0.578 0 C-N-CA 121.519 -0.372 . . . . 45.53 112.85 -177.795 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -82.48 175.28 10.34 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.531 0.205 . . . . 51.12 110.958 -178.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -65.12 82.77 0.04 OUTLIER 'General case' 0 CA--C 1.533 0.322 0 CA-C-O 121.798 0.809 . . . . 71.23 110.007 175.164 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -164.64 -174.66 34.63 Favored Glycine 0 N--CA 1.449 -0.463 0 CA-C-N 115.327 -0.851 . . . . 55.55 111.754 174.274 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.61 ' H ' ' HA ' ' A' ' 30' ' ' LEU . 20.9 p -104.16 154.54 19.63 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 110.192 -0.299 . . . . 74.01 110.192 -178.235 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.583 ' HB2' ' HB3' ' A' ' 48' ' ' GLN . 85.6 m-20 -74.94 123.68 89.09 Favored Pre-proline 0 C--N 1.327 -0.37 0 N-CA-C 109.035 -0.728 . . . . 72.33 109.035 176.839 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_exo -50.07 -45.92 30.69 Favored 'Trans proline' 0 C--N 1.349 0.592 0 C-N-CA 122.711 2.274 . . . . 63.04 112.336 -178.162 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 8.7 mp0 -64.05 -37.3 86.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.557 -0.747 . . . . 62.13 110.069 -179.629 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.583 ' HB3' ' HB2' ' A' ' 45' ' ' ASN . 7.0 tm0? -68.53 -33.42 74.08 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 115.66 -0.7 . . . . 74.41 110.305 176.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.453 HD12 ' HA3' ' B' ' 53' ' ' GLY . 1.7 tm? -66.28 -47.5 73.45 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.423 -0.584 . . . . 71.11 109.423 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 36.7 t80 -62.88 -46.63 86.93 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.334 -0.394 . . . . 65.21 110.673 176.699 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.6 -52.09 66.17 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 116.593 -0.276 . . . . 52.03 111.133 178.02 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.1 -46.17 90.23 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-O 120.952 0.406 . . . . 73.32 110.858 -179.062 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.497 ' HA3' HD12 ' B' ' 49' ' ' LEU . . . -62.41 -44.97 96.87 Favored Glycine 0 N--CA 1.449 -0.438 0 CA-C-N 115.698 -0.683 . . . . 45.35 112.202 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.879 ' HA ' ' SG ' ' A' ' 57' ' ' CYS . 5.9 t80 -69.82 -34.5 73.75 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.852 0.358 . . . . 74.55 110.351 -179.529 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.516 ' HB2' ' HB2' ' A' ' 81' ' ' ALA . 8.6 t -62.32 -50.57 71.11 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.507 -0.553 . . . . 73.1 109.507 178.176 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.562 ' HB2' ' HB2' ' B' ' 19' ' ' ALA . . . -70.38 -40.33 74.04 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.879 -0.601 . . . . 72.41 111.297 -178.462 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.879 ' SG ' ' HA ' ' A' ' 54' ' ' TYR . 15.7 p -64.03 -35.94 82.36 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.688 -0.486 . . . . 74.4 109.688 179.226 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 23.0 t80 -52.58 -34.88 52.64 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 116.223 -0.444 . . . . 74.24 110.413 178.37 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -64.63 -42.37 95.52 Favored 'General case' 0 N--CA 1.465 0.29 0 N-CA-C 109.82 -0.437 . . . . 74.12 109.82 174.745 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.437 ' O ' ' HB3' ' A' ' 63' ' ' LYS . 27.4 t -66.45 -35.43 80.27 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-O 121.223 0.535 . . . . 74.4 110.154 178.688 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.4 ' O ' HG23 ' A' ' 65' ' ' VAL . . . -67.5 -43.25 81.36 Favored 'General case' 0 C--O 1.221 -0.429 0 CA-C-N 115.953 -0.567 . . . . 64.15 109.941 177.748 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -65.22 -36.28 83.66 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.187 0.518 . . . . 61.32 109.993 175.133 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.437 ' HB3' ' O ' ' A' ' 60' ' ' SER . 11.8 tptm -56.22 -49.99 72.56 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.057 -0.974 . . . . 62.32 109.959 177.63 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.425 ' CZ ' ' HE1' ' B' ' 93' ' ' PHE . 63.4 t80 -75.81 -48.45 21.59 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 115.465 -0.789 . . . . 70.35 111.705 -178.542 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.433 ' HA ' ' HG2' ' A' ' 68' ' ' GLN . 42.9 t -55.32 -40.45 56.94 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.31 0 CA-C-N 116.429 -0.35 . . . . 51.41 110.89 -178.031 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.49 ' HB2' ' O ' ' A' ' 71' ' ' GLN . . . -54.45 -33.71 60.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.171 0.51 . . . . 55.45 110.333 176.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -71.95 -31.97 63.97 Favored Glycine 0 C--N 1.33 0.202 0 CA-C-N 115.552 -0.749 . . . . 65.01 112.528 -177.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.433 ' HG2' ' HA ' ' A' ' 65' ' ' VAL . 14.1 pt20 -92.81 -11.88 32.58 Favored 'General case' 0 CA--C 1.52 -0.187 0 N-CA-C 108.949 -0.76 . . . . 73.33 108.949 179.088 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.422 ' HB3' ' HG2' ' A' ' 71' ' ' GLN . 0.9 OUTLIER -94.67 -5.17 46.19 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 114.857 -1.065 . . . . 73.35 110.544 175.402 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 11.0 mptt 58.73 29.48 18.71 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-O 121.61 0.719 . . . . 70.5 111.189 178.042 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.49 ' O ' ' HB2' ' A' ' 66' ' ' ALA . 2.8 pt20 -124.37 159.08 31.15 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 114.76 -1.109 . . . . 65.11 109.501 175.857 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 4.5 p -125.35 128.14 47.71 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.935 0.398 . . . . 71.13 110.476 177.79 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -109.23 145.54 32.01 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 115.938 -0.574 . . . . 64.52 110.51 179.851 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_exo -57.28 130.49 39.63 Favored 'Trans proline' 0 C--N 1.35 0.607 0 C-N-CA 122.73 2.287 . . . . 75.32 112.487 -179.441 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -77.02 -1.29 28.08 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 121.368 0.604 . . . . 74.43 110.901 178.084 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -85.55 17.95 3.01 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.284 -0.871 . . . . 72.44 110.393 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.514 ' HB ' HD11 ' A' ' 103' ' ' LEU . 5.8 t -91.7 159.26 15.94 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.559 -0.746 . . . . 74.0 112.11 -174.41 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 56.4 m -143.1 149.39 38.07 Favored 'General case' 0 CA--C 1.529 0.164 0 CA-C-N 115.62 -0.718 . . . . 72.13 110.355 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 92.6 t -134.15 132.91 55.92 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 115.512 -0.767 . . . . 73.54 109.006 177.341 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 87.8 m -114.13 115.95 28.34 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.677 0.275 . . . . 61.0 110.491 178.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.516 ' HB2' ' HB2' ' A' ' 55' ' ' SER . . . -93.25 105.18 17.29 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.299 -0.63 . . . . 75.0 109.299 175.036 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.537 ' HG2' ' HD3' ' B' ' 6' ' ' LYS . 24.6 tt0 -101.83 107.44 18.62 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.521 -0.918 . . . . 75.53 108.521 176.731 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.488 HG23 HG22 ' A' ' 97' ' ' VAL . 7.5 p -103.6 131.25 52.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.873 -0.603 . . . . 74.25 111.048 -172.649 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -122.48 160.86 16.86 Favored Glycine 0 N--CA 1.446 -0.696 0 CA-C-N 115.78 -0.645 . . . . 64.22 111.813 178.466 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -137.88 130.2 40.49 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 N-CA-C 108.785 -0.82 . . . . 71.32 108.785 178.67 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . 0.424 ' HA2' ' HG ' ' B' ' 4' ' ' LEU . . . -146.49 169.93 27.63 Favored Glycine 0 CA--C 1.517 0.186 0 O-C-N 123.985 0.803 . . . . 64.2 111.496 -176.329 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . 0.674 ' HD3' ' HG ' ' B' ' 4' ' ' LEU . 7.2 Cg_exo -70.95 119.9 6.65 Favored 'Trans proline' 0 N--CA 1.462 -0.338 0 C-N-CA 122.665 2.244 . . . . 75.13 111.659 -176.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 52.8 t-20 -72.98 142.67 47.76 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.235 -0.654 . . . . 63.43 109.235 177.519 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -66.02 -13.34 59.74 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-O 121.173 0.511 . . . . 74.31 110.837 -179.763 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -71.74 -20.1 61.94 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 115.504 -0.771 . . . . 62.35 110.451 173.484 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.47 23.51 7.93 Favored Glycine 0 CA--C 1.518 0.233 0 CA-C-N 115.757 -0.656 . . . . 52.42 112.65 179.697 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -131.92 -140.78 4.59 Favored Glycine 0 N--CA 1.453 -0.21 0 N-CA-C 111.611 -0.596 . . . . 74.12 111.611 177.448 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -116.55 146.96 42.26 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.797 0.332 . . . . 72.25 110.15 178.283 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -132.15 133.02 43.77 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.934 -0.576 . . . . 73.43 110.188 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -96.06 124.32 40.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.941 -0.572 . . . . 75.45 110.08 178.576 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . 0.419 ' HB3' HD13 ' B' ' 3' ' ' ILE . 10.2 t70 -117.78 110.33 17.67 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 108.745 -0.835 . . . . 62.1 108.745 -179.509 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.488 HG22 HG23 ' A' ' 83' ' ' VAL . 46.6 t -108.39 110.92 33.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.695 0.283 . . . . 41.42 111.192 -172.482 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.436 ' HA ' ' HB2' ' A' ' 135' ' ' ARG . 42.3 mt-10 -88.07 104.33 16.57 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.753 -0.462 . . . . 52.25 109.753 175.562 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 11.6 tp -94.28 107.09 19.06 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.168 -0.678 . . . . 73.33 109.168 -178.791 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . 0.529 ' HA ' HG11 ' A' ' 137' ' ' VAL . 59.2 ttt180 -99.43 111.43 23.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.539 -0.755 . . . . 73.43 110.076 -172.236 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 46.7 t -106.13 115.46 47.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.423 0.154 . . . . 72.23 111.192 -171.325 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -112.08 101.46 9.73 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-O 120.823 0.344 . . . . 73.1 110.163 176.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.813 HD23 HD21 ' A' ' 106' ' ' LEU . 38.9 tp -111.09 115.01 53.27 Favored Pre-proline 0 CA--C 1.53 0.205 0 N-CA-C 108.688 -0.856 . . . . 73.31 108.688 178.515 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . 0.529 ' HD2' HD11 ' A' ' 103' ' ' LEU . 56.6 Cg_endo -70.41 148.63 61.27 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.598 2.199 . . . . 73.52 112.35 -174.63 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 73.08 15.21 78.62 Favored Glycine 0 N--CA 1.451 -0.307 0 CA-C-N 115.629 -0.714 . . . . 54.45 112.273 -178.301 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.813 HD21 HD23 ' A' ' 103' ' ' LEU . 24.7 tp -125.52 141.16 52.19 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-O 120.947 0.403 . . . . 65.03 111.156 -177.219 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -82.19 141.99 32.57 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.681 -0.69 . . . . 72.42 110.318 174.39 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . 0.499 ' O ' ' HG2' ' A' ' 112' ' ' LYS . . . -59.29 -34.91 72.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.852 0.358 . . . . 74.35 110.785 177.837 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -58.01 -46.64 84.94 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 115.823 -0.626 . . . . 64.13 110.813 179.593 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . 0.466 ' O ' HG22 ' A' ' 113' ' ' THR . . . -75.96 -35.86 59.51 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-O 121.25 0.548 . . . . 73.25 109.922 177.695 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -56.27 -32.81 64.88 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.518 -0.765 . . . . 54.13 110.679 178.762 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . 0.499 ' HG2' ' O ' ' A' ' 108' ' ' ALA . 32.0 mmtp -51.13 -48.96 61.65 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 115.803 -0.635 . . . . 74.23 110.796 176.624 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' THR . . . . . 0.466 HG22 ' O ' ' A' ' 110' ' ' ALA . 1.9 t -81.99 -36.1 28.22 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.051 -0.522 . . . . 74.22 110.899 -175.273 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.403 ' HG ' ' O ' ' A' ' 110' ' ' ALA . 40.5 mt -61.53 -48.73 79.68 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 116.364 -0.38 . . . . 61.01 110.793 -179.454 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 67.6 t -67.16 -33.4 62.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.314 -0.403 . . . . 72.22 110.133 177.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -61.05 -58.03 10.1 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-N 115.873 -0.603 . . . . 65.51 110.901 178.174 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . 0.465 ' HG2' ' O ' ' A' ' 113' ' ' THR . 15.0 ptm180 -64.36 -39.09 93.18 Favored 'General case' 0 C--O 1.227 -0.1 0 CA-C-N 115.659 -0.701 . . . . 65.24 110.545 -177.45 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -58.34 -50.93 71.87 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.17 0.51 . . . . 63.41 110.315 176.776 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . 0.432 ' CD2' ' HB3' ' A' ' 129' ' ' ARG . 64.5 t60 -79.42 8.65 5.85 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 115.639 -0.71 . . . . 74.13 110.239 179.713 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 3.9 t-160 -108.71 -43.57 4.23 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 116.195 -0.457 . . . . 75.14 110.734 177.289 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 28.6 m -89.31 -21.03 6.94 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.391 0 CA-C-N 116.378 -0.374 . . . . 74.54 111.824 -173.62 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' CYS . . . . . 0.46 ' N ' ' HD3' ' A' ' 123' ' ' PRO . 52.6 t -138.45 60.45 20.92 Favored Pre-proline 0 C--O 1.236 0.353 0 CA-C-O 120.841 0.353 . . . . 72.12 110.636 178.873 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' PRO . . . . . 0.46 ' HD3' ' N ' ' A' ' 122' ' ' CYS . 50.5 Cg_endo -98.12 153.96 0.83 Allowed 'Trans proline' 0 N--CA 1.453 -0.871 0 C-N-CA 123.109 2.539 . . . . 75.04 112.553 178.603 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' TYR . . . . . 0.544 ' O ' ' HB ' ' A' ' 128' ' ' THR . 2.5 m-85 -73.8 73.09 1.57 Allowed 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 108.768 -0.826 . . . . 65.44 108.768 171.826 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' SER . . . . . 0.462 ' HB3' ' O ' ' A' ' 124' ' ' TYR . 48.4 t 77.42 149.16 0.1 Allowed 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 115.074 -0.966 . . . . 65.33 110.127 -171.02 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 52.6 t-20 -61.94 -31.46 71.79 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 122.019 0.914 . . . . 73.42 108.675 176.248 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . 0.458 ' O ' HG23 ' A' ' 132' ' ' VAL . . . -66.24 3.26 0.93 Allowed 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 114.88 -1.054 . . . . 54.1 112.434 -179.196 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 128' ' ' THR . . . . . 0.544 ' HB ' ' O ' ' A' ' 124' ' ' TYR . 2.9 t -93.84 4.34 54.07 Favored 'General case' 0 CA--C 1.519 -0.217 0 CA-C-O 122.146 0.974 . . . . 73.21 108.743 -173.814 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . 0.432 ' HB3' ' CD2' ' A' ' 119' ' ' HIS . 13.6 ptm180 -136.73 -46.5 0.6 Allowed 'General case' 0 N--CA 1.444 -0.739 0 CA-C-N 114.594 -1.184 . . . . 72.04 110.45 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 53.3 m-80 -78.57 -42.53 28.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.497 -0.32 . . . . 71.52 111.766 178.802 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -91.46 -39.02 12.2 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-O 120.899 0.381 . . . . 72.12 110.297 -176.08 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . 0.458 HG23 ' O ' ' A' ' 127' ' ' ALA . 90.4 t -98.89 126.25 52.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 70.22 109.886 -178.69 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -74.95 96.43 3.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.342 0.591 . . . . 45.42 111.399 -176.356 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 57.6 t -115.95 109.29 27.65 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.535 0 CA-C-N 115.392 -0.822 . . . . 75.02 109.973 175.384 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . 0.436 ' HB2' ' HA ' ' A' ' 98' ' ' GLU . 20.4 mmt180 -72.77 98.59 2.44 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.899 -0.592 . . . . 74.34 109.621 178.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . 0.416 HD23 ' HA ' ' A' ' 136' ' ' LEU . 49.0 mt -74.86 100.28 4.03 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.551 0.691 . . . . 50.04 109.919 175.717 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . 0.529 HG11 ' HA ' ' A' ' 100' ' ' ARG . 0.2 OUTLIER -109.59 111.66 37.12 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 CA-C-N 114.729 -1.123 . . . . 74.42 109.621 -179.022 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 4.1 m -96.65 138.85 20.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 115.564 -0.744 . . . . 71.15 110.097 -176.543 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.312 -1.04 0 CA-C-N 115.217 -0.901 . . . . 73.13 110.56 -175.858 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 16.8 ptt? . . . . . 0 CA--C 1.532 0.281 0 CA-C-O 120.537 0.208 . . . . 72.42 110.504 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 50.0 t30 -72.08 74.98 0.94 Allowed 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 121.281 0.562 . . . . 61.35 110.739 176.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . 0.52 HG21 ' HB2' ' B' ' 6' ' ' LYS . 30.8 mm -74.03 135.23 27.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.657 -0.701 . . . . 72.42 111.651 175.702 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . 0.674 ' HG ' ' HD3' ' A' ' 87' ' ' PRO . 84.4 mt -95.47 -46.1 6.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.76 -0.654 . . . . 75.25 110.11 174.419 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 5' ' ' TYR . . . . . . . . . . . . . 24.5 t80 -132.05 130.34 41.2 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.961 -0.563 . . . . 75.45 109.491 -178.377 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . 0.537 ' HD3' ' HG2' ' A' ' 82' ' ' GLU . 38.6 ttmt -137.37 135.51 37.06 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.035 0.445 . . . . 65.01 111.134 177.756 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 5.3 t -134.99 142.27 46.42 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.601 -0.727 . . . . 73.02 109.279 178.327 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . 0.531 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . . . -109.18 152.93 24.48 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.946 0.403 . . . . 64.22 111.259 -174.28 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . 0.494 ' HA ' ' H ' ' B' ' 22' ' ' HIS . . . -139.17 116.93 11.5 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.053 -0.521 . . . . 71.2 110.446 175.154 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 27.4 m -95.05 124.41 39.08 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.783 -0.644 . . . . 64.31 110.132 -179.323 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 11' ' ' SER . . . . . 0.533 ' HA ' ' O ' ' B' ' 18' ' ' ARG . 57.4 p -131.35 115.77 16.69 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.596 0.236 . . . . 74.14 111.563 -177.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 11.3 m -94.54 158.32 15.59 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.926 -0.398 . . . . 73.24 109.926 176.196 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -89.24 59.61 3.81 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.897 -0.668 . . . . 71.12 111.771 177.356 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -47.35 -88.38 0.01 OUTLIER Glycine 0 C--N 1.342 0.893 0 O-C-N 123.905 0.415 . . . . 73.4 112.918 -177.771 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 10.1 tpp180 -88.96 -56.27 3.35 Favored 'General case' 0 C--O 1.238 0.5 0 N-CA-C 109.0 -0.741 . . . . 65.14 109.0 171.617 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 16' ' ' ASP . . . . . 0.536 ' HB3' ' HA ' ' B' ' 31' ' ' SER . 27.1 t70 -127.08 -43.38 1.66 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.305 -0.407 . . . . 65.33 110.431 169.034 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -161.05 148.03 15.43 Favored Glycine 0 C--N 1.344 0.975 0 C-N-CA 120.383 -0.913 . . . . 74.22 111.78 169.501 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 18' ' ' ARG . . . . . 0.546 ' HA ' ' HA ' ' B' ' 29' ' ' LYS . 0.7 OUTLIER -138.32 106.65 5.8 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 108.634 -0.876 . . . . 74.4 108.634 179.027 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 19' ' ' ALA . . . . . 0.562 ' HB2' ' HB2' ' A' ' 56' ' ' ALA . . . -103.81 123.83 47.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.052 0.453 . . . . 64.31 111.117 -173.399 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 24.3 m -125.31 112.57 16.51 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.706 -0.679 . . . . 75.11 109.816 177.015 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 21' ' ' SER . . . . . 0.53 ' HB3' ' N ' ' B' ' 26' ' ' LEU . 48.0 t -64.67 108.61 1.76 Allowed 'General case' 0 C--O 1.246 0.915 0 N-CA-C 107.071 -1.455 . . . . 74.21 107.071 175.343 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 22' ' ' HIS . . . . . 0.494 ' H ' ' HA ' ' B' ' 9' ' ' ALA . 15.4 t60 -53.85 -22.82 10.61 Favored 'General case' 0 C--N 1.346 0.433 0 O-C-N 126.622 2.451 . . . . 73.12 112.57 -164.683 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . 0.506 ' HB2' ' HG2' ' B' ' 25' ' ' LYS . 3.8 m-20 -80.57 19.33 0.82 Allowed 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 110.096 -0.335 . . . . 63.54 110.096 176.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 24' ' ' GLN . . . . . 0.435 ' H ' ' C ' ' B' ' 22' ' ' HIS . 87.9 mm-40 55.96 28.29 12.46 Favored 'General case' 0 CA--C 1.516 -0.34 0 CA-C-O 121.825 0.821 . . . . 71.43 110.189 -176.264 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . 0.506 ' HG2' ' HB2' ' B' ' 23' ' ' ASP . 9.6 mmpt? -83.28 -27.47 29.82 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 114.573 -1.194 . . . . 41.25 109.497 175.817 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . 0.53 ' N ' ' HB3' ' B' ' 21' ' ' SER . 44.3 tp -150.69 147.01 26.83 Favored 'General case' 0 C--O 1.223 -0.306 0 C-N-CA 119.705 -0.798 . . . . 73.34 111.426 -178.358 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 65.8 t0 -152.04 99.64 2.56 Favored 'General case' 0 CA--C 1.532 0.253 0 O-C-N 123.471 0.482 . . . . 53.33 109.887 172.774 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 3.4 m -144.11 178.18 1.85 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.512 0 CA-C-N 115.533 -0.758 . . . . 74.12 111.657 179.016 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . 0.806 ' HZ1' ' HB3' ' B' ' 29' ' ' LYS . 0.0 OUTLIER -135.15 145.68 48.04 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.279 -0.873 . . . . 74.12 110.193 179.598 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . 0.676 ' HA ' ' H ' ' B' ' 44' ' ' THR . 0.0 OUTLIER -131.6 160.53 35.08 Favored 'General case' 0 C--O 1.252 1.233 0 CA-C-O 121.006 0.432 . . . . 72.32 110.437 175.788 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 31' ' ' SER . . . . . 0.536 ' HA ' ' HB3' ' B' ' 16' ' ' ASP . 39.6 m -162.4 137.92 7.23 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 115.423 -0.808 . . . . 62.35 110.901 -176.779 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -72.96 115.02 36.06 Favored Pre-proline 0 C--O 1.237 0.432 0 CA-C-N 115.942 -0.572 . . . . 75.13 109.629 171.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 33' ' ' PRO . . . . . 0.701 ' HG2' ' HG3' ' B' ' 35' ' ' GLU . 36.6 Cg_endo -65.81 -159.54 0.04 OUTLIER 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.394 2.063 . . . . 72.21 111.535 178.88 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -110.24 48.24 0.91 Allowed 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.734 0.778 . . . . 71.43 109.102 178.576 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . 0.701 ' HG3' ' HG2' ' B' ' 33' ' ' PRO . 0.1 OUTLIER -48.27 -68.57 0.17 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 114.167 -1.378 . . . . 72.42 110.07 178.345 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . 0.464 HD23 ' HB2' ' B' ' 35' ' ' GLU . 2.4 mm? -114.39 -32.9 5.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.141 -0.936 . . . . 63.52 109.08 174.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 173.09 46.66 0.05 OUTLIER Glycine 0 N--CA 1.448 -0.526 0 CA-C-N 115.757 -0.656 . . . . 51.22 112.495 -179.442 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -79.65 -122.67 0.4 Allowed Glycine 0 C--N 1.334 0.435 0 C-N-CA 120.859 -0.686 . . . . 64.12 111.668 177.411 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -108.52 -37.82 5.84 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.178 0.513 . . . . 71.25 110.539 179.803 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 86.49 78.37 1.22 Allowed Glycine 0 N--CA 1.451 -0.334 0 CA-C-N 115.655 -0.702 . . . . 53.13 111.757 -179.168 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . 0.403 ' H ' ' HA ' ' B' ' 33' ' ' PRO . . . -146.46 168.95 19.92 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.658 0.266 . . . . 75.21 110.958 -174.578 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -88.05 10.12 20.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.907 -0.588 . . . . 74.14 111.358 -176.371 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -77.55 -172.96 39.11 Favored Glycine 0 C--O 1.236 0.249 0 C-N-CA 121.189 -0.529 . . . . 72.12 113.02 -176.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 44' ' ' THR . . . . . 0.676 ' H ' ' HA ' ' B' ' 30' ' ' LEU . 29.3 m -98.01 147.3 24.65 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 110.158 -0.312 . . . . 70.51 110.158 -179.629 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 45' ' ' ASN . . . . . 0.414 ' HB3' ' OE1' ' B' ' 47' ' ' GLU . 10.6 m120 -65.7 125.38 89.66 Favored Pre-proline 0 CA--C 1.533 0.302 0 CA-C-N 116.404 -0.362 . . . . 71.14 110.716 179.177 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 46' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -55.19 -54.52 4.23 Favored 'Trans proline' 0 C--N 1.352 0.761 0 C-N-CA 122.999 2.466 . . . . 54.41 112.749 178.137 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 47' ' ' GLU . . . . . 0.414 ' OE1' ' HB3' ' B' ' 45' ' ' ASN . 0.0 OUTLIER -62.64 -38.85 91.89 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 116.265 -0.425 . . . . 73.03 110.399 -179.528 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . 0.769 HE21 ' HB3' ' A' ' 9' ' ' ALA . 22.0 tm0? -61.1 -43.2 99.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.101 -0.5 . . . . 65.22 110.074 176.318 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 49' ' ' LEU . . . . . 0.497 HD12 ' HA3' ' A' ' 53' ' ' GLY . 2.1 tm? -59.38 -48.38 81.85 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.457 -0.571 . . . . 73.15 109.457 -178.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 16.5 t80 -57.57 -46.54 83.84 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 115.926 -0.579 . . . . 74.53 110.748 176.184 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.97 -50.19 75.03 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.263 -0.426 . . . . 63.22 111.104 -179.524 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.85 -44.53 96.87 Favored 'General case' 0 C--O 1.237 0.423 0 CA-C-N 116.099 -0.5 . . . . 74.31 111.076 -179.216 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . 0.453 ' HA3' HD12 ' A' ' 49' ' ' LEU . . . -65.73 -33.94 87.42 Favored Glycine 0 C--N 1.33 0.247 0 CA-C-N 115.93 -0.577 . . . . 73.22 111.947 177.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -68.64 -47.56 66.27 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 110.073 -0.343 . . . . 73.43 110.073 179.188 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 55' ' ' SER . . . . . 0.556 ' HB3' ' HB1' ' B' ' 81' ' ' ALA . 19.0 p -62.71 -43.68 98.18 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.355 -0.384 . . . . 71.55 110.269 178.638 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 56' ' ' ALA . . . . . 0.475 ' HB2' ' HB3' ' A' ' 19' ' ' ALA . . . -65.41 -39.83 92.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 72.32 110.512 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 57' ' ' CYS . . . . . . . . . . . . . 43.9 t -62.32 -36.71 83.0 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.915 -0.584 . . . . 72.4 109.756 176.562 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -59.54 -40.76 88.29 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-N 115.683 -0.689 . . . . 61.11 110.385 179.545 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . 0.459 ' O ' ' HG2' ' B' ' 63' ' ' LYS . 4.4 mm? -61.35 -63.43 1.29 Allowed 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 116.304 -0.407 . . . . 73.31 110.598 177.274 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 23.3 m -54.18 -41.14 68.21 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-N 116.226 -0.443 . . . . 73.23 110.95 -178.434 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -59.04 -48.4 81.72 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.956 -0.565 . . . . 44.1 110.45 178.063 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 62' ' ' MET . . . . . 0.402 ' HE2' ' HA ' ' B' ' 62' ' ' MET . 0.2 OUTLIER -62.76 -35.47 79.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.339 -0.391 . . . . 71.0 111.184 179.846 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . 0.459 ' HG2' ' O ' ' B' ' 59' ' ' LEU . 10.2 mmpt? -62.75 -50.34 71.45 Favored 'General case' 0 N--CA 1.464 0.249 0 N-CA-C 109.809 -0.441 . . . . 72.03 109.809 178.548 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 84.3 t80 -64.19 -52.82 57.06 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 115.689 -0.687 . . . . 73.11 111.051 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 54.8 t -55.4 -47.61 77.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.933 -0.576 . . . . 75.05 111.138 -178.017 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -55.21 -35.07 64.49 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.315 0.578 . . . . 74.13 110.272 178.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -68.89 -29.72 72.5 Favored Glycine 0 N--CA 1.452 -0.235 0 CA-C-N 115.124 -0.944 . . . . 75.04 112.503 -175.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -99.09 -13.38 19.85 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.94 0.4 . . . . 64.5 109.999 179.304 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -88.81 -1.82 58.28 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 115.589 -0.732 . . . . 65.21 110.857 179.275 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 2.2 mptp? 64.97 34.62 8.81 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-O 121.251 0.548 . . . . 73.12 110.761 179.426 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -135.25 162.55 32.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.634 -0.712 . . . . 74.24 110.001 178.707 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 2.6 p -125.0 128.18 48.17 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.017 0.437 . . . . 74.12 110.923 178.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 72.0 mt -109.41 137.9 20.4 Favored Pre-proline 0 C--N 1.327 -0.402 0 CA-C-N 115.712 -0.677 . . . . 75.15 109.598 177.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 74' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -55.82 151.53 39.99 Favored 'Trans proline' 0 C--N 1.349 0.556 0 C-N-CA 123.298 2.665 . . . . 74.32 113.761 -172.832 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -77.7 -31.15 52.21 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.468 0.651 . . . . 71.53 110.991 173.079 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -80.95 21.96 0.65 Allowed 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 115.326 -0.852 . . . . 60.22 111.644 -172.55 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 77' ' ' THR . . . . . . . . . . . . . 6.2 t -93.3 156.94 16.5 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.303 -0.408 . . . . 73.25 110.997 -178.649 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 78' ' ' THR . . . . . 0.543 HG22 ' HA ' ' A' ' 12' ' ' THR . 2.2 p -139.07 150.79 46.14 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.886 -0.597 . . . . 71.23 111.112 -179.494 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 79' ' ' VAL . . . . . 0.453 ' HA ' ' O ' ' B' ' 100' ' ' ARG . 62.5 t -133.2 115.59 23.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 115.613 -0.721 . . . . 54.24 109.426 174.843 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 25.4 m -102.6 110.67 22.68 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.041 -0.527 . . . . 75.2 110.894 -177.296 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 81' ' ' ALA . . . . . 0.556 ' HB1' ' HB3' ' B' ' 55' ' ' SER . . . -93.38 111.57 23.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.994 -0.548 . . . . 73.43 109.664 176.438 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 82' ' ' GLU . . . . . 0.556 ' HG2' ' HD3' ' A' ' 6' ' ' LYS . 26.2 tt0 -111.83 107.67 16.79 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 108.769 -0.826 . . . . 71.23 108.769 178.745 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . 0.411 ' O ' ' HG3' ' A' ' 6' ' ' LYS . 10.5 p -108.57 141.1 24.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 71.44 111.103 -170.728 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 84' ' ' GLY . . . . . 0.402 ' HA2' ' HA ' ' A' ' 6' ' ' LYS . . . -138.08 168.23 24.65 Favored Glycine 0 N--CA 1.443 -0.896 0 C-N-CA 121.027 -0.606 . . . . 52.45 112.433 179.563 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -137.34 132.49 45.92 Favored 'Isoleucine or valine' 0 C--O 1.244 0.804 0 N-CA-C 108.674 -0.861 . . . . 73.1 108.674 -178.266 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 86' ' ' GLY . . . . . 0.478 ' HA2' ' HG ' ' A' ' 4' ' ' LEU . . . -148.76 169.82 29.24 Favored Glycine 0 C--N 1.33 0.202 0 O-C-N 124.238 0.961 . . . . 52.3 111.443 -178.069 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 87' ' ' PRO . . . . . 0.671 ' HD3' ' HG ' ' A' ' 4' ' ' LEU . 1.9 Cg_endo -80.76 121.23 4.06 Favored 'Trans proline' 0 N--CA 1.457 -0.668 0 C-N-CA 122.722 2.281 . . . . 70.05 112.311 -177.478 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 88' ' ' ASN . . . . . . . . . . . . . 53.7 t-20 -70.74 138.75 50.77 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 108.892 -0.781 . . . . 72.3 108.892 175.192 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -60.21 -20.09 57.21 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.076 0.465 . . . . 71.21 111.178 -178.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -69.09 -18.9 64.04 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 115.753 -0.658 . . . . 74.05 111.221 177.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.47 35.12 3.41 Favored Glycine 0 C--N 1.324 -0.103 0 CA-C-N 115.891 -0.595 . . . . 72.2 112.442 179.371 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . -141.86 -157.13 7.05 Favored Glycine 0 N--CA 1.451 -0.325 0 N-CA-C 110.79 -0.924 . . . . 70.13 110.79 176.394 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 93' ' ' PHE . . . . . 0.425 ' HE1' ' CZ ' ' A' ' 64' ' ' PHE . 67.6 m-85 -108.16 159.56 16.5 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 117.203 0.502 . . . . 73.12 110.123 176.894 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -144.66 141.54 29.43 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.108 -0.496 . . . . 62.21 110.166 -179.522 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -101.74 138.49 38.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.8 -0.637 . . . . 74.21 110.229 179.11 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 96' ' ' ASP . . . . . 0.456 ' HB3' HD12 ' A' ' 3' ' ' ILE . 34.7 t70 -138.6 110.8 7.36 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.323 -0.853 . . . . 73.53 109.704 -174.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 97' ' ' VAL . . . . . 0.568 HG11 HG13 ' B' ' 134' ' ' VAL . 3.9 p -128.21 128.9 69.1 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.902 0 CA-C-O 121.378 0.608 . . . . 65.34 112.076 -174.78 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 98' ' ' GLU . . . . . 0.426 ' HG3' ' HB3' ' B' ' 135' ' ' ARG . 1.5 mp0 -95.85 122.7 38.93 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.252 -0.885 . . . . 74.42 109.573 175.607 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 99' ' ' LEU . . . . . 0.472 ' HB2' HD21 ' B' ' 136' ' ' LEU . 70.5 mt -100.04 107.44 19.36 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.216 -0.661 . . . . 75.14 109.216 174.643 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 100' ' ' ARG . . . . . 0.523 ' HA ' ' O ' ' B' ' 137' ' ' VAL . 61.6 mtt85 -98.99 112.52 24.61 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.198 -0.455 . . . . 70.24 109.862 -176.596 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 101' ' ' VAL . . . . . . . . . . . . . 96.2 t -102.51 100.69 10.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.088 -0.505 . . . . 60.12 110.824 -174.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 102' ' ' ALA . . . . . 0.509 ' HA ' ' HB3' ' B' ' 139' ' ' ALA . . . -94.42 101.34 13.26 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.626 -0.509 . . . . 53.32 109.626 176.674 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 13.1 mt -112.86 111.43 51.16 Favored Pre-proline 0 C--N 1.327 -0.382 0 CA-C-N 115.668 -0.696 . . . . 72.24 109.92 -178.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 104' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -70.98 147.77 55.71 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.697 2.265 . . . . 74.24 112.779 -179.461 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 105' ' ' GLY . . . . . . . . . . . . . . . 69.69 15.17 70.81 Favored Glycine 0 CA--C 1.521 0.408 0 CA-C-N 115.38 -0.827 . . . . 72.34 112.808 179.412 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 23.9 tp -123.44 139.97 53.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.883 0.373 . . . . 65.44 111.176 -176.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -74.78 144.01 43.77 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.866 -0.606 . . . . 63.12 110.051 175.305 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 108' ' ' ALA . . . . . 0.452 ' O ' ' HG3' ' B' ' 112' ' ' LYS . . . -62.94 -38.5 91.26 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.836 0.35 . . . . 74.55 110.531 178.515 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -57.02 -51.74 68.03 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 115.948 -0.569 . . . . 64.51 110.66 179.373 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 110' ' ' ALA . . . . . 0.522 ' O ' HG22 ' B' ' 113' ' ' THR . . . -67.91 -38.59 83.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.108 -0.496 . . . . 72.03 110.551 178.174 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -55.43 -39.3 70.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.697 -0.683 . . . . 64.14 110.817 -179.321 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 112' ' ' LYS . . . . . 0.452 ' HG3' ' O ' ' B' ' 108' ' ' ALA . 68.5 mttm -52.99 -47.91 67.88 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.093 -0.503 . . . . 74.45 110.703 176.741 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 113' ' ' THR . . . . . 0.522 HG22 ' O ' ' B' ' 110' ' ' ALA . 0.7 OUTLIER -74.05 -33.4 63.69 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 116.446 -0.343 . . . . 72.03 110.708 -176.174 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 44.8 mt -66.9 -45.44 77.97 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-O 120.798 0.332 . . . . 72.05 110.42 179.183 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 115' ' ' VAL . . . . . 0.532 HG22 HG12 ' B' ' 138' ' ' VAL . 94.8 t -65.77 -36.02 76.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.165 -0.47 . . . . 63.55 110.059 177.288 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -58.8 -59.89 4.72 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 116.22 -0.445 . . . . 75.43 110.632 177.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 117' ' ' ARG . . . . . . . . . . . . . 10.6 ptm180 -60.49 -43.13 97.34 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 115.959 -0.564 . . . . 70.2 110.802 -177.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -63.33 -39.62 95.05 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.096 0.474 . . . . 61.11 110.784 179.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 119' ' ' HIS . . . . . 0.57 ' CE1' HG21 ' B' ' 128' ' ' THR . 28.8 t-80 -87.77 10.12 19.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.806 -0.634 . . . . 74.31 110.172 -178.369 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 5.0 t60 -107.53 -32.59 7.64 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.696 -0.683 . . . . 73.32 109.535 176.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 33.1 m -100.96 7.94 9.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.874 -0.603 . . . . 73.14 111.396 -177.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 122' ' ' CYS . . . . . 0.604 ' SG ' HG23 ' B' ' 128' ' ' THR . 18.8 p -65.66 140.88 97.6 Favored Pre-proline 0 CA--C 1.533 0.312 0 CA-C-N 116.444 -0.344 . . . . 74.53 110.688 -179.73 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 123' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_endo -64.02 -6.83 11.98 Favored 'Trans proline' 0 C--N 1.353 0.766 0 C-N-CA 122.788 2.325 . . . . 65.25 112.833 -177.492 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 124' ' ' TYR . . . . . . . . . . . . . 55.0 m-85 . . . . . 0 CA--C 1.534 0.364 0 CA-C-O 121.126 0.489 . . . . 65.35 110.106 177.592 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 128' ' ' THR . . . . . 0.604 HG23 ' SG ' ' B' ' 122' ' ' CYS . 14.9 t . . . . . 0 N--CA 1.448 -0.538 0 N-CA-C 108.159 -1.052 . . . . 64.4 108.159 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 129' ' ' ARG . . . . . 0.462 ' HB3' ' HD1' ' B' ' 119' ' ' HIS . 23.5 ptt180 -118.06 -48.2 2.55 Favored 'General case' 0 N--CA 1.445 -0.693 0 CA-C-N 114.821 -1.081 . . . . 75.21 111.139 -178.712 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 130' ' ' ASN . . . . . 0.436 ' N ' ' HG3' ' B' ' 129' ' ' ARG . 6.6 m120 -78.81 -35.5 44.11 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.351 -0.386 . . . . 74.14 110.975 -175.04 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 131' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -92.2 -42.4 9.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.903 -0.589 . . . . 75.43 110.991 -175.293 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 132' ' ' VAL . . . . . . . . . . . . . 48.3 t -96.57 146.21 7.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.783 -0.644 . . . . 62.31 110.633 -175.229 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 133' ' ' ALA . . . . . . . . . . . . . . . -79.35 82.26 5.52 Favored 'General case' 0 C--O 1.239 0.526 0 CA-C-O 122.025 0.916 . . . . 72.23 111.078 -178.405 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 134' ' ' VAL . . . . . 0.568 HG13 HG11 ' B' ' 97' ' ' VAL . 24.1 t -119.56 105.97 18.31 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.751 0 CA-C-N 114.594 -1.184 . . . . 64.53 109.947 176.393 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 135' ' ' ARG . . . . . 0.426 ' HB3' ' HG3' ' B' ' 98' ' ' GLU . 0.1 OUTLIER -78.98 103.12 8.71 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.357 -0.609 . . . . 74.32 109.357 -178.943 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 136' ' ' LEU . . . . . 0.472 HD21 ' HB2' ' B' ' 99' ' ' LEU . 71.5 mt -74.67 114.66 13.35 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.277 -0.419 . . . . 72.41 110.247 175.81 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 137' ' ' VAL . . . . . 0.523 ' O ' ' HA ' ' B' ' 100' ' ' ARG . 0.2 OUTLIER -123.57 117.49 51.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 115.388 -0.824 . . . . 74.23 109.79 -178.753 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 138' ' ' VAL . . . . . 0.532 HG12 HG22 ' B' ' 115' ' ' VAL . 3.2 m -97.6 138.51 22.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 115.895 -0.593 . . . . 70.52 109.724 -178.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 139' ' ' ALA . . . . . 0.509 ' HB3' ' HA ' ' B' ' 102' ' ' ALA . . . . . . . . 0 C--O 1.251 1.166 0 CA-C-N 115.969 -0.56 . . . . 71.35 110.284 -175.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.6 ptt? . . . . . 0 N--CA 1.484 1.274 0 N-CA-C 110.35 -0.241 . . . . 71.43 110.35 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . 0.434 HD21 ' HD2' ' B' ' 87' ' ' PRO . 22.4 t30 -73.01 75.79 1.2 Allowed 'General case' 0 CA--C 1.536 0.417 0 CA-C-O 121.35 0.595 . . . . 75.52 110.773 177.474 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.522 HG22 ' HB2' ' A' ' 6' ' ' LYS . 25.0 mm -75.66 142.15 14.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.61 -0.723 . . . . 51.02 111.693 176.886 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.707 ' HG ' ' HD3' ' B' ' 87' ' ' PRO . 90.8 mt -94.13 -46.58 7.04 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.621 -0.718 . . . . 74.21 109.997 172.108 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 54.5 t80 -137.41 131.92 32.71 Favored 'General case' 0 C--O 1.223 -0.302 0 CA-C-N 116.259 -0.428 . . . . 73.42 110.091 -178.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.522 ' HB2' HG22 ' A' ' 3' ' ' ILE . 30.7 ttmt -138.21 135.23 35.39 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.513 -0.312 . . . . 62.42 110.418 179.285 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 8.8 t -132.83 144.14 50.02 Favored 'General case' 0 C--O 1.239 0.535 0 CA-C-N 115.999 -0.546 . . . . 73.02 109.918 -178.19 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.434 ' HA ' ' HA ' ' B' ' 82' ' ' GLU . . . -111.37 151.44 28.46 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-O 121.353 0.597 . . . . 64.34 111.759 -174.916 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.411 ' HB1' ' HG2' ' B' ' 48' ' ' GLN . . . -151.45 117.87 5.67 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.463 -0.79 . . . . 73.03 109.965 176.791 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.541 ' HA ' ' HA ' ' B' ' 80' ' ' THR . 12.4 t -100.06 133.39 44.52 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.843 -0.617 . . . . 73.43 109.56 -177.493 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 76.4 p -117.35 113.23 21.82 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.417 -0.356 . . . . 74.42 110.587 -177.395 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 4.7 m -90.48 158.41 17.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.483 . . . . 72.12 111.216 -178.345 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -83.55 73.57 2.65 Favored Glycine 0 N--CA 1.447 -0.625 0 C-N-CA 121.041 -0.599 . . . . 62.44 112.066 175.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -70.85 -123.22 0.05 OUTLIER Glycine 0 CA--C 1.52 0.349 0 C-N-CA 121.346 -0.454 . . . . 62.02 112.438 178.33 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.572 ' HA ' ' HE ' ' A' ' 15' ' ' ARG . 0.1 OUTLIER -61.44 -55.15 34.52 Favored 'General case' 0 N--CA 1.462 0.155 0 N-CA-C 108.789 -0.819 . . . . 73.04 108.789 175.182 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.547 ' HB3' ' HA ' ' A' ' 31' ' ' SER . 26.2 t0 -125.73 -42.53 1.92 Allowed 'General case' 0 CA--C 1.511 -0.542 0 CA-C-N 115.2 -0.909 . . . . 74.22 108.685 167.217 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -161.7 166.81 36.24 Favored Glycine 0 N--CA 1.439 -1.115 0 C-N-CA 119.715 -1.231 . . . . 73.12 112.163 173.7 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.654 ' HA ' ' HA ' ' A' ' 29' ' ' LYS . 14.8 mtm180 -130.83 171.31 13.29 Favored 'General case' 0 C--N 1.311 -1.069 0 N-CA-C 109.256 -0.646 . . . . 73.24 109.256 173.214 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.586 ' HB2' ' HB1' ' B' ' 52' ' ' ALA . . . -149.15 123.02 9.32 Favored 'General case' 0 C--N 1.313 -1.009 0 N-CA-C 108.646 -0.872 . . . . 71.12 108.646 173.715 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 29.0 m -135.73 110.27 8.56 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 116.162 -0.472 . . . . 65.23 110.38 -177.014 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.552 ' HB3' ' N ' ' A' ' 26' ' ' LEU . 48.0 t -68.67 107.21 2.89 Favored 'General case' 0 C--O 1.245 0.857 0 N-CA-C 106.866 -1.531 . . . . 62.3 106.866 176.466 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.427 ' C ' ' H ' ' A' ' 24' ' ' GLN . 19.4 t-80 -60.56 -14.91 22.75 Favored 'General case' 0 C--N 1.343 0.302 0 O-C-N 125.748 1.905 . . . . 71.44 111.658 -168.817 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.526 ' HB2' ' HE2' ' A' ' 25' ' ' LYS . 13.5 m-20 -80.4 13.4 2.45 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.126 -0.694 . . . . 73.43 109.126 175.288 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.427 ' H ' ' C ' ' A' ' 22' ' ' HIS . 26.0 mm-40 65.48 30.27 10.84 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 115.052 -0.976 . . . . 72.53 109.722 178.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.526 ' HE2' ' HB2' ' A' ' 23' ' ' ASP . 55.0 mtmt -98.23 -19.09 18.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 114.892 -1.049 . . . . 73.44 110.73 178.683 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.552 ' N ' ' HB3' ' A' ' 21' ' ' SER . 43.6 tp -152.6 148.06 26.89 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 119.956 -0.698 . . . . 74.42 111.887 178.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -159.55 99.97 1.46 Allowed 'General case' 0 N--CA 1.468 0.452 0 O-C-N 123.696 0.622 . . . . 74.5 110.138 174.341 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 4.1 m -145.73 178.26 1.34 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 C-N-CA 122.903 0.481 . . . . 62.12 111.776 -178.65 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.654 ' HA ' ' HA ' ' A' ' 18' ' ' ARG . 13.1 ttmt -132.3 144.78 50.82 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.39 -0.823 . . . . 62.42 110.387 179.563 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.509 HD11 ' N ' ' A' ' 30' ' ' LEU . 0.0 OUTLIER -128.33 161.43 29.42 Favored 'General case' 0 C--O 1.254 1.304 0 CA-C-O 121.108 0.48 . . . . 73.21 110.582 175.301 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.547 ' HA ' ' HB3' ' A' ' 16' ' ' ASP . 49.0 m -156.8 135.12 11.33 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 115.409 -0.814 . . . . 75.34 110.59 -176.022 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -79.23 140.67 56.98 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-N 116.139 -0.482 . . . . 52.21 110.202 176.605 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.702 ' HB2' ' HG2' ' A' ' 35' ' ' GLU . 39.9 Cg_endo -65.47 150.07 87.23 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.324 2.016 . . . . 73.33 111.181 178.839 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.654 ' HB2' ' HA3' ' A' ' 40' ' ' GLY . 5.3 tpt180 -82.43 3.65 27.3 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.635 0.255 . . . . 64.52 110.365 -174.781 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.702 ' HG2' ' HB2' ' A' ' 33' ' ' PRO . 16.3 mm-40 -42.46 -61.48 1.2 Allowed 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 115.636 -0.711 . . . . 75.14 111.291 178.324 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 7.4 mp -95.9 13.26 27.41 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.437 -0.802 . . . . 73.53 110.734 -177.241 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 94.1 32.78 7.28 Favored Glycine 0 C--N 1.33 0.234 0 CA-C-N 115.983 -0.553 . . . . 72.22 112.341 -177.637 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -73.77 -123.04 0.09 OUTLIER Glycine 0 C--N 1.333 0.372 0 C-N-CA 121.345 -0.455 . . . . 73.44 112.366 178.059 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -117.41 -17.57 10.06 Favored 'General case' 0 C--N 1.332 -0.179 0 O-C-N 122.459 -0.436 . . . . 63.22 112.1 -179.06 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.654 ' HA3' ' HB2' ' A' ' 34' ' ' ARG . . . 53.95 78.13 0.12 Allowed Glycine 0 C--N 1.333 0.38 0 O-C-N 123.279 0.362 . . . . 45.53 113.979 175.625 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -162.5 -178.81 6.49 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.206 0.527 . . . . 51.12 111.71 178.534 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -88.25 81.15 7.38 Favored 'General case' 0 CA--C 1.515 -0.395 0 CA-C-N 115.283 -0.871 . . . . 71.23 110.407 -177.224 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -148.4 177.21 26.8 Favored Glycine 0 C--N 1.309 -0.954 0 CA-C-N 114.503 -1.226 . . . . 55.55 111.908 178.56 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.504 ' H ' ' HA ' ' A' ' 30' ' ' LEU . 25.5 m -87.6 152.44 22.18 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.646 -0.502 . . . . 74.01 109.646 179.152 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.577 ' ND2' ' HD3' ' A' ' 33' ' ' PRO . 5.6 m120 -86.26 122.28 72.34 Favored Pre-proline 0 C--N 1.326 -0.447 0 N-CA-C 108.946 -0.761 . . . . 72.33 108.946 178.516 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 6.6 Cg_endo -47.06 -52.55 7.61 Favored 'Trans proline' 0 C--N 1.349 0.581 0 C-N-CA 123.195 2.597 . . . . 63.04 112.912 -174.381 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -66.27 -32.92 74.63 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.086 0.47 . . . . 62.13 110.505 -176.683 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 9.9 tt0 -69.97 -30.83 68.28 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.146 0.498 . . . . 74.41 109.962 177.045 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -67.2 -44.06 80.56 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 108.753 -0.832 . . . . 71.11 108.753 177.066 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 36.6 t80 -60.52 -45.62 93.14 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 115.893 -0.594 . . . . 65.21 110.566 174.234 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -53.09 -50.53 64.23 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-O 120.864 0.364 . . . . 52.03 111.367 176.552 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.61 -47.36 85.87 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 116.106 -0.497 . . . . 73.32 110.511 179.406 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.512 ' HA3' HD11 ' B' ' 49' ' ' LEU . . . -63.52 -35.58 92.24 Favored Glycine 0 C--O 1.226 -0.388 0 CA-C-N 115.69 -0.686 . . . . 45.35 112.264 179.369 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -64.0 -47.92 78.44 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.315 -0.624 . . . . 74.55 109.315 179.565 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 18.4 m -61.24 -47.57 85.46 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.832 -0.622 . . . . 73.1 110.352 178.56 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.499 ' HB2' HD21 ' B' ' 30' ' ' LEU . . . -64.17 -42.69 96.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.482 -0.781 . . . . 72.41 111.314 -178.422 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.591 ' SG ' ' HB3' ' B' ' 46' ' ' PRO . 74.4 m -67.99 -38.9 83.21 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.442 -0.344 . . . . 74.4 110.284 -179.864 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 29.8 t80 -63.03 -41.16 99.45 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.961 -0.563 . . . . 74.24 109.52 179.789 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -68.38 -49.77 57.73 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 115.434 -0.803 . . . . 74.12 110.461 -178.488 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.612 ' HA ' ' HD3' ' A' ' 63' ' ' LYS . 24.6 t -63.62 -44.59 93.46 Favored 'General case' 0 C--O 1.24 0.569 0 CA-C-O 121.068 0.461 . . . . 74.4 110.348 -178.772 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -60.08 -42.56 94.85 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 116.256 -0.429 . . . . 64.15 110.003 177.004 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' MET . . . . . 0.653 ' HE3' ' HA ' ' A' ' 62' ' ' MET . 3.2 tpt -58.23 -38.13 76.22 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 115.677 -0.692 . . . . 61.32 110.118 177.194 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.612 ' HD3' ' HA ' ' A' ' 60' ' ' SER . 25.6 mtpp -61.7 -50.03 74.11 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 115.869 -0.605 . . . . 62.32 110.333 176.605 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 50.6 t80 -58.07 -46.98 84.54 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 116.132 -0.485 . . . . 70.35 110.73 177.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 54.1 t -56.99 -42.64 79.5 Favored 'Isoleucine or valine' 0 C--O 1.236 0.39 0 CA-C-N 115.906 -0.588 . . . . 51.41 110.931 179.583 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.441 ' HA ' ' HG3' ' A' ' 71' ' ' GLN . . . -57.31 -32.33 66.57 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.293 0.568 . . . . 55.45 110.374 177.809 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -72.29 -26.56 71.79 Favored Glycine 0 N--CA 1.452 -0.291 0 CA-C-N 115.185 -0.916 . . . . 65.01 112.653 -176.21 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -97.72 -23.41 15.94 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.162 0.506 . . . . 73.33 109.742 -178.197 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 25.4 m-80 -89.24 -0.48 57.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.454 -0.794 . . . . 73.35 111.395 179.586 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 9.3 mptt 62.4 26.52 15.83 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 116.148 -0.478 . . . . 70.5 111.54 176.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.441 ' HG3' ' HA ' ' A' ' 66' ' ' ALA . 1.3 pt20 -111.88 169.58 8.74 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.005 -0.543 . . . . 65.11 110.447 -179.349 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 26.8 p -123.08 141.37 52.04 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-N 116.299 -0.409 . . . . 71.13 110.862 -178.314 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.527 HD11 ' HG3' ' A' ' 62' ' ' MET . 95.9 mt -109.4 142.74 26.31 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 116.19 -0.459 . . . . 64.52 110.964 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . 0.472 ' O ' HG21 ' A' ' 77' ' ' THR . 19.3 Cg_exo -67.02 141.35 57.68 Favored 'Trans proline' 0 C--N 1.349 0.559 0 C-N-CA 122.845 2.363 . . . . 75.32 112.015 177.551 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -77.06 -15.35 59.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.429 0.633 . . . . 74.43 110.895 178.799 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -91.98 12.37 22.05 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.156 -0.929 . . . . 72.44 112.12 -172.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.472 HG21 ' O ' ' A' ' 74' ' ' PRO . 8.6 t -89.07 153.49 20.94 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.17 0.51 . . . . 74.0 111.986 -175.674 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.0 p -144.38 154.38 42.93 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.43 -0.805 . . . . 72.13 110.583 179.424 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 84.8 t -130.51 123.77 55.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 115.866 -0.606 . . . . 73.54 109.4 175.377 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 32.6 m -113.46 110.93 21.1 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.356 -0.384 . . . . 61.0 110.558 -178.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -93.11 107.09 18.96 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.228 -0.442 . . . . 75.0 109.827 177.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.474 ' HA ' ' HA ' ' B' ' 8' ' ' ALA . 36.3 tt0 -104.95 107.71 18.83 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.056 -0.72 . . . . 75.53 109.056 -179.264 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 24.8 m -101.69 141.21 18.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.377 -0.374 . . . . 74.25 111.441 -173.258 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -130.94 153.14 20.18 Favored Glycine 0 N--CA 1.444 -0.819 0 N-CA-C 111.222 -0.751 . . . . 64.22 111.222 176.047 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -132.7 133.0 59.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 N-CA-C 109.327 -0.62 . . . . 71.32 109.327 -179.39 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -149.03 169.96 29.42 Favored Glycine 0 N--CA 1.453 -0.174 0 CA-C-N 115.495 -0.775 . . . . 64.2 111.168 179.758 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . 0.48 ' HD3' ' HG ' ' B' ' 4' ' ' LEU . 62.1 Cg_endo -72.83 138.06 28.14 Favored 'Trans proline' 0 N--CA 1.461 -0.399 0 C-N-CA 122.186 1.924 . . . . 75.13 111.855 -178.126 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 54.4 t-20 -83.6 139.48 32.81 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.049 -0.722 . . . . 63.43 109.049 178.316 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -62.53 -16.56 56.57 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.956 0.408 . . . . 74.31 110.725 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -68.38 -19.39 64.62 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 115.527 -0.761 . . . . 62.35 111.047 175.379 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.31 34.87 3.52 Favored Glycine 0 CA--C 1.518 0.223 0 CA-C-N 115.813 -0.631 . . . . 52.42 111.963 -177.481 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -144.7 -135.61 2.92 Favored Glycine 0 C--N 1.331 0.255 0 N-CA-C 111.473 -0.651 . . . . 74.12 111.473 178.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 -126.21 163.17 23.76 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.917 -0.401 . . . . 72.25 109.917 178.2 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -150.61 147.13 27.04 Favored 'General case' 0 C--O 1.239 0.527 0 CA-C-N 116.345 -0.389 . . . . 73.43 110.497 -177.502 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -113.76 134.88 54.5 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 115.404 -0.816 . . . . 75.45 109.775 -176.274 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . 0.469 ' HB2' ' SD ' ' B' ' 1' ' ' MET . 11.4 t70 -133.07 112.11 11.52 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.125 -0.694 . . . . 62.1 109.125 -178.243 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.435 ' O ' ' HA ' ' A' ' 134' ' ' VAL . 2.4 p -113.99 117.72 56.31 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.258 0 CA-C-O 121.292 0.567 . . . . 41.42 112.122 -174.379 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.498 ' HA ' ' HB2' ' A' ' 135' ' ' ARG . 42.7 mt-10 -88.05 104.26 16.49 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.607 -0.724 . . . . 52.25 109.36 175.576 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 14.2 tp -93.91 110.74 22.39 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.342 -0.614 . . . . 73.33 109.342 -178.164 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . 0.537 ' HA ' ' O ' ' A' ' 137' ' ' VAL . 53.5 mtt-85 -99.49 124.36 44.59 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.583 -0.735 . . . . 73.43 110.38 -174.323 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 43.9 t -111.91 98.33 6.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 116.269 -0.423 . . . . 72.23 110.316 -176.272 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -91.72 101.4 14.01 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.964 0.411 . . . . 73.1 109.946 -179.632 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.408 ' HB2' HD21 ' A' ' 106' ' ' LEU . 26.7 mt -112.97 114.75 48.79 Favored Pre-proline 0 C--N 1.326 -0.42 0 CA-C-N 115.771 -0.649 . . . . 73.31 109.996 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 66.9 Cg_endo -73.79 152.45 47.27 Favored 'Trans proline' 0 C--O 1.235 0.334 0 C-N-CA 122.63 2.22 . . . . 73.52 111.824 179.256 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 68.28 15.06 67.38 Favored Glycine 0 CA--C 1.52 0.368 0 CA-C-N 115.854 -0.612 . . . . 54.45 112.686 -178.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.408 HD21 ' HB2' ' A' ' 103' ' ' LEU . 35.6 tp -126.72 141.41 51.85 Favored 'General case' 0 N--CA 1.464 0.236 0 C-N-CA 122.478 0.311 . . . . 65.03 110.28 -177.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -78.4 163.59 25.52 Favored 'General case' 0 CA--C 1.509 -0.606 0 CA-C-N 116.498 -0.319 . . . . 72.42 111.002 -179.67 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . 0.549 ' O ' ' HG2' ' A' ' 112' ' ' LYS . . . -66.91 -44.53 80.54 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.428 -0.805 . . . . 74.35 109.748 169.674 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -58.89 -50.46 73.95 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 115.632 -0.713 . . . . 64.13 110.865 -176.653 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . 0.477 ' O ' ' HG ' ' A' ' 114' ' ' LEU . . . -70.21 -44.45 68.62 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.865 -0.607 . . . . 73.25 109.972 179.451 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -54.74 -35.09 63.36 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 115.77 -0.65 . . . . 54.13 111.746 179.813 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . 0.549 ' HG2' ' O ' ' A' ' 108' ' ' ALA . 12.5 mmmm -52.08 -49.43 63.55 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 120.896 0.379 . . . . 74.23 110.945 179.281 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' THR . . . . . 0.426 HG21 ' O ' ' A' ' 110' ' ' ALA . 2.2 t -79.85 -36.31 36.92 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 116.175 -0.466 . . . . 74.22 110.435 -176.132 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.477 ' HG ' ' O ' ' A' ' 110' ' ' ALA . 33.6 mt -60.8 -51.05 70.99 Favored 'General case' 0 C--O 1.228 -0.057 0 CA-C-N 115.986 -0.552 . . . . 61.01 110.905 -178.33 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . 0.437 HG23 HG13 ' A' ' 138' ' ' VAL . 93.5 t -62.99 -38.65 82.58 Favored 'Isoleucine or valine' 0 C--O 1.236 0.395 0 CA-C-O 120.985 0.421 . . . . 72.22 110.483 178.896 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -54.91 -59.82 4.21 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 115.667 -0.697 . . . . 65.51 110.504 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 13.1 ptm180 -69.49 -34.33 74.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.676 -0.693 . . . . 65.24 110.675 -177.58 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . 0.483 ' HA ' HG22 ' A' ' 121' ' ' VAL . . . -57.79 -36.95 72.89 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 115.857 -0.61 . . . . 63.41 110.549 177.625 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . 0.478 ' O ' ' HB3' ' A' ' 123' ' ' PRO . 3.8 t-80 -67.55 -9.69 44.93 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 115.737 -0.665 . . . . 74.13 111.157 -178.535 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . 0.443 ' HB2' ' NH1' ' A' ' 129' ' ' ARG . 20.2 t-160 -108.7 -42.85 4.4 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 116.603 -0.271 . . . . 75.14 111.403 175.864 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . 0.483 HG22 ' HA ' ' A' ' 118' ' ' ALA . 27.6 m -81.93 -19.66 10.75 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.302 0 N-CA-C 111.637 0.236 . . . . 74.54 111.637 -174.904 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' CYS . . . . . 0.506 ' N ' ' HD3' ' A' ' 123' ' ' PRO . 53.9 t -141.71 57.12 6.66 Favored Pre-proline 0 CA--C 1.535 0.391 0 CA-C-O 120.757 0.313 . . . . 72.12 110.943 -179.384 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' PRO . . . . . 0.506 ' HD3' ' N ' ' A' ' 122' ' ' CYS . 36.2 Cg_endo -100.03 -168.99 0.09 OUTLIER 'Trans proline' 0 N--CA 1.453 -0.878 0 C-N-CA 123.271 2.647 . . . . 75.04 112.234 -179.841 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -102.76 -4.94 24.25 Favored 'General case' 0 CA--C 1.534 0.336 0 N-CA-C 108.989 -0.745 . . . . 65.44 108.989 173.174 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 42.5 t 171.2 164.3 0.08 Allowed 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 114.866 -1.061 . . . . 65.33 108.77 179.675 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 28.2 p-10 -72.21 -31.94 66.32 Favored 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 108.7 -0.852 . . . . 73.42 108.7 173.688 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . 0.614 ' O ' ' HB3' ' A' ' 131' ' ' ASN . . . -71.48 6.81 1.64 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 114.9 -1.046 . . . . 54.1 111.713 -179.5 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 3.3 t -92.84 -1.63 56.6 Favored 'General case' 0 CA--C 1.514 -0.433 0 N-CA-C 108.592 -0.892 . . . . 73.21 108.592 -171.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . 0.443 ' NH1' ' HB2' ' A' ' 120' ' ' HIS . 13.8 ptm180 -127.85 -46.76 1.4 Allowed 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 115.161 -0.927 . . . . 72.04 111.782 -178.386 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -78.48 -48.12 16.0 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-O 121.455 0.645 . . . . 71.52 110.858 177.809 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 131' ' ' ASN . . . . . 0.614 ' HB3' ' O ' ' A' ' 127' ' ' ALA . 2.5 t-20 -77.94 -43.51 29.62 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 114.984 -1.007 . . . . 72.12 111.1 -175.125 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 58.9 t -101.94 136.08 35.7 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.261 0 CA-C-N 116.352 -0.385 . . . . 70.22 110.464 -178.538 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -82.35 99.55 9.44 Favored 'General case' 0 C--O 1.239 0.51 0 CA-C-O 121.159 0.504 . . . . 45.42 110.987 -179.044 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . 0.435 ' HA ' ' O ' ' A' ' 97' ' ' VAL . 13.7 t -118.34 113.91 43.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.654 -0.703 . . . . 75.02 110.965 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . 0.498 ' HB2' ' HA ' ' A' ' 98' ' ' GLU . 11.2 mmt180 -75.18 103.66 5.44 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.052 -0.721 . . . . 74.34 109.052 175.581 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . 0.432 HD12 ' CG ' ' A' ' 119' ' ' HIS . 31.2 mt -77.2 108.64 10.45 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.087 0.47 . . . . 50.04 110.107 177.092 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . 0.537 ' O ' ' HA ' ' A' ' 100' ' ' ARG . 0.1 OUTLIER -119.94 117.1 52.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.33 -0.85 . . . . 74.42 109.658 -179.32 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . 0.437 HG13 HG23 ' A' ' 115' ' ' VAL . 2.5 m -88.61 138.87 18.32 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 115.598 -0.728 . . . . 71.15 109.818 -177.272 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.316 -0.849 0 CA-C-N 115.918 -0.583 . . . . 73.13 110.808 -177.903 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 1' ' ' MET . . . . . 0.469 ' SD ' ' HB2' ' A' ' 96' ' ' ASP . 28.3 ptm . . . . . 0 C--O 1.234 0.263 0 CA-C-O 120.841 0.353 . . . . 72.42 110.733 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 2' ' ' ASN . . . . . 0.407 ' O ' ' HD2' ' A' ' 87' ' ' PRO . 43.8 t30 -95.74 85.66 4.19 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.713 -0.676 . . . . 61.35 109.799 -179.092 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . 0.429 HG21 ' HB2' ' B' ' 6' ' ' LYS . 33.0 mm -71.56 120.79 20.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 116.004 -0.544 . . . . 72.42 111.656 179.378 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . 0.48 ' HG ' ' HD3' ' A' ' 87' ' ' PRO . 90.5 mt -82.73 -45.27 14.63 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.288 -0.869 . . . . 75.25 110.092 177.035 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 5' ' ' TYR . . . . . . . . . . . . . 51.9 t80 -135.51 131.4 36.0 Favored 'General case' 0 C--O 1.223 -0.301 0 CA-C-N 116.097 -0.502 . . . . 75.45 110.459 -178.202 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . 0.429 ' HB2' HG21 ' B' ' 3' ' ' ILE . 38.7 ttmt -136.73 143.02 43.1 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.09 -0.504 . . . . 65.01 110.488 178.811 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 15.0 t -147.92 153.05 38.57 Favored 'General case' 0 C--O 1.236 0.376 0 N-CA-C 109.095 -0.706 . . . . 73.02 109.095 179.49 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . 0.474 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . . . -120.41 145.9 46.73 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 121.291 0.567 . . . . 64.22 112.233 -172.691 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . 0.604 ' HA ' ' H ' ' B' ' 22' ' ' HIS . . . -130.23 135.6 48.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.669 -0.696 . . . . 71.2 109.889 174.852 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 92.4 m -120.39 122.39 40.65 Favored 'General case' 0 N--CA 1.446 -0.648 0 N-CA-C 108.992 -0.744 . . . . 64.31 108.992 -173.393 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 49.8 m -124.84 131.4 53.44 Favored 'General case' 0 C--N 1.314 -0.966 0 CA-C-N 116.271 -0.422 . . . . 74.14 111.141 -174.628 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 7.3 m -108.29 159.3 16.75 Favored 'General case' 0 C--O 1.239 0.517 0 CA-C-N 116.081 -0.509 . . . . 73.24 110.951 -177.562 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -84.76 75.28 2.38 Favored Glycine 0 N--CA 1.445 -0.741 0 CA-C-N 115.861 -0.609 . . . . 71.12 111.857 175.546 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -69.49 -145.21 0.2 Allowed Glycine 0 C--N 1.336 0.54 0 C-N-CA 121.307 -0.473 . . . . 73.4 112.379 176.209 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . 0.469 ' HG3' ' HB3' ' B' ' 41' ' ' ALA . 7.2 tpp180 -51.88 -52.96 46.04 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 116.809 0.304 . . . . 65.14 110.668 178.753 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 16' ' ' ASP . . . . . 0.491 ' HB3' ' HA ' ' B' ' 31' ' ' SER . 9.0 t70 -125.75 -42.97 1.89 Allowed 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 108.743 -0.836 . . . . 65.33 108.743 172.51 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 17' ' ' GLY . . . . . 0.407 ' O ' ' HG3' ' B' ' 29' ' ' LYS . . . -166.57 159.47 32.8 Favored Glycine 0 C--N 1.342 0.887 0 N-CA-C 111.199 -0.76 . . . . 74.22 111.199 165.287 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 18' ' ' ARG . . . . . 0.554 ' HA ' ' HA ' ' B' ' 29' ' ' LYS . 4.4 tmm_? -140.66 118.81 11.98 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 117.322 0.561 . . . . 74.4 109.893 178.916 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -111.52 124.03 51.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.466 -0.334 . . . . 64.31 110.656 -176.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 76.2 m -131.31 112.91 13.18 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.191 -0.458 . . . . 75.11 110.0 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 21' ' ' SER . . . . . 0.596 ' HB3' ' N ' ' B' ' 26' ' ' LEU . 29.2 t -65.25 107.91 1.74 Allowed 'General case' 0 C--O 1.247 0.965 0 N-CA-C 107.655 -1.239 . . . . 74.21 107.655 176.665 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 22' ' ' HIS . . . . . 0.604 ' H ' ' HA ' ' B' ' 9' ' ' ALA . 7.8 t-80 -47.85 -38.02 15.18 Favored 'General case' 0 N--CA 1.467 0.413 0 O-C-N 126.205 2.191 . . . . 73.12 113.082 -166.668 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -80.14 25.73 0.37 Allowed 'General case' 0 C--N 1.317 -0.832 0 CA-C-O 121.148 0.499 . . . . 63.54 110.901 -176.262 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 24' ' ' GLN . . . . . 0.442 ' H ' ' C ' ' B' ' 22' ' ' HIS . 26.6 mm-40 69.6 21.41 6.67 Favored 'General case' 0 CA--C 1.519 -0.227 0 CA-C-N 115.2 -0.909 . . . . 71.43 110.358 173.427 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . 0.547 ' HB2' ' OG ' ' B' ' 21' ' ' SER . 18.2 mmtm -86.88 -24.82 24.74 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.135 -0.939 . . . . 41.25 111.297 -179.413 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . 0.596 ' N ' ' HB3' ' B' ' 21' ' ' SER . 31.8 tp -156.44 152.04 26.97 Favored 'General case' 0 CA--C 1.505 -0.767 0 C-N-CA 119.902 -0.719 . . . . 73.34 111.679 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -159.8 94.15 1.12 Allowed 'General case' 0 N--CA 1.447 -0.601 0 CA-C-N 115.34 -0.845 . . . . 53.33 110.32 -179.321 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 4.6 m -144.25 177.74 1.96 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.405 0 CA-C-O 121.553 0.692 . . . . 74.12 111.898 179.287 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . 0.554 ' HA ' ' HA ' ' B' ' 18' ' ' ARG . 24.7 ttmt -123.98 140.91 52.51 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 114.849 -1.069 . . . . 74.12 109.813 178.83 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . 0.695 ' HA ' ' H ' ' B' ' 44' ' ' THR . 0.0 OUTLIER -126.12 169.92 12.31 Favored 'General case' 0 C--O 1.253 1.26 0 CA-C-N 116.258 -0.428 . . . . 72.32 109.968 177.924 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 31' ' ' SER . . . . . 0.491 ' HA ' ' HB3' ' B' ' 16' ' ' ASP . 21.8 m -159.02 134.52 8.57 Favored 'General case' 0 N--CA 1.446 -0.657 0 CA-C-N 115.634 -0.712 . . . . 62.35 111.914 -174.058 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 32' ' ' ALA . . . . . 0.41 ' O ' ' N ' ' B' ' 34' ' ' ARG . . . -90.61 93.73 0.55 Allowed Pre-proline 0 N--CA 1.444 -0.728 0 N-CA-C 107.037 -1.468 . . . . 75.13 107.037 162.364 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 33' ' ' PRO . . . . . 0.511 ' O ' ' HG2' ' B' ' 35' ' ' GLU . 56.4 Cg_endo -66.27 65.18 0.49 Allowed 'Trans proline' 0 C--N 1.354 0.852 0 C-N-CA 123.357 2.705 . . . . 72.21 113.112 -167.31 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 34' ' ' ARG . . . . . 0.505 ' O ' ' N ' ' B' ' 36' ' ' LEU . 19.2 mmt180 50.48 -96.73 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.849 -0.614 . . . . 71.43 111.47 -176.176 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . 0.511 ' HG2' ' O ' ' B' ' 33' ' ' PRO . 12.9 mm-40 50.07 -74.55 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 O-C-N 124.203 0.939 . . . . 72.42 112.588 -177.506 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . 0.66 ' HG ' HD13 ' B' ' 85' ' ' ILE . 1.3 mm? -85.63 -36.05 20.57 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.827 -0.805 . . . . 63.52 108.827 -175.5 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 152.29 39.38 0.03 OUTLIER Glycine 0 N--CA 1.448 -0.555 0 CA-C-N 114.668 -1.151 . . . . 51.22 111.489 -179.538 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -77.65 -128.0 0.4 Allowed Glycine 0 C--N 1.336 0.532 0 C-N-CA 120.491 -0.861 . . . . 64.12 111.742 -178.382 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 39' ' ' ALA . . . . . 0.437 ' HB3' ' OD1' ' B' ' 16' ' ' ASP . . . -116.01 -47.11 2.79 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.972 -0.381 . . . . 71.25 109.972 176.466 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 114.18 103.06 2.51 Favored Glycine 0 C--N 1.331 0.304 0 C-N-CA 121.103 -0.57 . . . . 53.13 112.489 176.327 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . 0.469 ' HB3' ' HG3' ' B' ' 15' ' ' ARG . . . -168.7 -176.26 2.69 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.88 0.371 . . . . 75.21 111.689 179.197 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -110.98 17.78 20.13 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 116.066 -0.515 . . . . 74.14 111.624 -174.798 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -79.11 -164.17 27.0 Favored Glycine 0 CA--C 1.52 0.406 0 C-N-CA 121.018 -0.61 . . . . 72.12 112.754 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 44' ' ' THR . . . . . 0.695 ' H ' ' HA ' ' B' ' 30' ' ' LEU . 25.7 m -93.1 136.96 32.88 Favored 'General case' 0 CA--C 1.533 0.315 0 O-C-N 122.859 -0.201 . . . . 70.51 110.827 -175.533 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 13.1 m120 -61.1 119.62 47.1 Favored Pre-proline 0 N--CA 1.466 0.334 0 O-C-N 122.968 0.168 . . . . 71.14 110.984 179.461 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 46' ' ' PRO . . . . . 0.591 ' HB3' ' SG ' ' A' ' 57' ' ' CYS . 72.3 Cg_exo -50.61 -40.17 55.46 Favored 'Trans proline' 0 C--N 1.349 0.57 0 C-N-CA 122.912 2.408 . . . . 54.41 112.051 174.341 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -58.2 -49.75 75.94 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 121.548 0.689 . . . . 73.03 109.179 177.722 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . 0.442 ' OE1' ' HB2' ' A' ' 21' ' ' SER . 1.1 tm0? -62.85 -36.13 82.23 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 114.758 -1.11 . . . . 65.22 109.983 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 49' ' ' LEU . . . . . 0.512 HD11 ' HA3' ' A' ' 53' ' ' GLY . 2.7 tm? -61.43 -54.25 46.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.845 -0.616 . . . . 73.15 110.233 -178.21 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 30.7 t80 -63.2 -41.97 99.24 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 116.759 -0.201 . . . . 74.53 110.474 177.69 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -51.94 -52.99 46.35 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.166 -0.47 . . . . 63.22 110.791 176.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 52' ' ' ALA . . . . . 0.586 ' HB1' ' HB2' ' A' ' 19' ' ' ALA . . . -66.95 -41.7 86.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.713 -0.676 . . . . 74.31 110.877 -178.128 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -60.35 -48.42 86.23 Favored Glycine 0 N--CA 1.451 -0.34 0 CA-C-N 115.764 -0.653 . . . . 73.22 112.256 179.084 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -69.98 -36.67 75.37 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 110.162 -0.31 . . . . 73.43 110.162 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 8.7 t -61.4 -49.8 75.42 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.138 0.494 . . . . 71.55 109.924 179.317 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 56' ' ' ALA . . . . . 0.44 ' HB1' HD22 ' A' ' 30' ' ' LEU . . . -69.38 -43.04 74.33 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 115.946 -0.57 . . . . 72.32 110.641 179.594 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 57' ' ' CYS . . . . . 0.647 ' SG ' ' HE2' ' B' ' 124' ' ' TYR . 38.6 t -60.65 -36.26 78.25 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 116.007 -0.542 . . . . 72.4 110.202 179.19 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 58' ' ' PHE . . . . . 0.657 ' HE2' ' SG ' ' B' ' 122' ' ' CYS . 41.0 t80 -65.81 -35.29 80.26 Favored 'General case' 0 N--CA 1.454 -0.268 0 N-CA-C 109.311 -0.626 . . . . 61.11 109.311 179.603 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . 0.584 ' O ' ' HG2' ' B' ' 63' ' ' LYS . 28.8 tp -71.41 -37.42 71.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.329 -0.85 . . . . 73.31 110.116 178.911 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 43.2 m -63.77 -45.26 90.59 Favored 'General case' 0 C--O 1.24 0.574 0 CA-C-O 121.397 0.618 . . . . 73.23 110.097 174.379 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 61' ' ' ALA . . . . . 0.442 ' O ' HG21 ' B' ' 65' ' ' VAL . . . -59.71 -37.4 78.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.883 -0.598 . . . . 44.1 109.573 174.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 62' ' ' MET . . . . . 0.632 ' HA ' ' HE3' ' B' ' 62' ' ' MET . 4.5 tpt -62.78 -37.58 87.23 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-N 115.39 -0.823 . . . . 71.0 110.013 176.539 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . 0.584 ' HG2' ' O ' ' B' ' 59' ' ' LEU . 31.5 mmtp -58.64 -52.26 66.45 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-O 121.417 0.627 . . . . 72.03 109.315 174.683 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 61.0 t80 -61.77 -44.62 96.52 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 114.95 -1.023 . . . . 73.11 110.84 -176.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 65' ' ' VAL . . . . . 0.442 HG21 ' O ' ' B' ' 61' ' ' ALA . 54.8 t -55.98 -52.43 49.82 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 116.429 -0.35 . . . . 75.05 110.251 177.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -55.81 -34.03 64.96 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.137 0.494 . . . . 74.13 110.139 177.344 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -70.08 -31.5 69.39 Favored Glycine 0 N--CA 1.451 -0.341 0 CA-C-N 115.281 -0.872 . . . . 75.04 112.534 -176.577 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -94.5 -16.94 22.89 Favored 'General case' 0 CA--C 1.522 -0.12 0 N-CA-C 109.286 -0.635 . . . . 64.5 109.286 -179.01 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -89.56 -1.89 58.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.183 -0.917 . . . . 65.21 110.541 177.711 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 10.6 mptt 61.98 24.3 14.44 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-N 115.927 -0.579 . . . . 73.12 111.462 177.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -115.12 163.37 15.72 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.698 -0.683 . . . . 74.24 110.017 178.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 24.4 p -125.96 136.62 53.22 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.357 -0.383 . . . . 74.12 110.432 -179.727 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 73' ' ' LEU . . . . . 0.416 ' CD1' ' HG3' ' B' ' 62' ' ' MET . 93.5 mt -109.36 144.97 30.88 Favored Pre-proline 0 C--N 1.326 -0.427 0 CA-C-N 115.943 -0.572 . . . . 75.15 110.312 -177.742 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 74' ' ' PRO . . . . . 0.538 ' HD2' HD13 ' B' ' 103' ' ' LEU . 39.9 Cg_exo -58.65 149.08 78.81 Favored 'Trans proline' 0 C--N 1.349 0.583 0 C-N-CA 122.794 2.329 . . . . 74.32 112.812 -179.51 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -76.24 -23.28 54.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.588 0.709 . . . . 71.53 110.818 178.532 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -80.9 19.01 0.9 Allowed 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 114.767 -1.106 . . . . 60.22 111.487 -172.791 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 77' ' ' THR . . . . . 0.423 ' HB ' HD12 ' B' ' 103' ' ' LEU . 8.8 t -92.86 157.54 16.33 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.058 0.456 . . . . 73.25 111.207 -176.696 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 57.6 m -152.95 151.02 29.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.898 -0.592 . . . . 71.23 110.266 -179.271 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 94.4 t -124.41 122.41 63.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 N-CA-C 109.032 -0.729 . . . . 54.24 109.032 175.083 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 80' ' ' THR . . . . . 0.541 ' HA ' ' HA ' ' A' ' 10' ' ' THR . 19.0 m -106.52 106.78 17.47 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-O 120.891 0.377 . . . . 75.2 111.118 -175.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -93.16 115.09 27.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.994 -0.548 . . . . 73.43 110.226 179.541 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 82' ' ' GLU . . . . . 0.434 ' HA ' ' HA ' ' A' ' 8' ' ' ALA . 36.1 tt0 -116.34 108.49 16.14 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.013 -0.736 . . . . 71.23 109.013 178.687 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . 0.47 HG13 HG11 ' B' ' 97' ' ' VAL . 23.7 m -107.41 150.73 9.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.163 -0.471 . . . . 71.44 110.942 -173.569 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 84' ' ' GLY . . . . . 0.424 ' HA2' ' HA ' ' A' ' 6' ' ' LYS . . . -143.04 164.86 27.11 Favored Glycine 0 N--CA 1.443 -0.874 0 CA-C-N 116.066 -0.516 . . . . 52.45 112.039 -179.416 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 85' ' ' ILE . . . . . 0.66 HD13 ' HG ' ' B' ' 36' ' ' LEU . 0.0 OUTLIER -136.3 130.91 48.19 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.778 0 N-CA-C 108.751 -0.833 . . . . 73.1 108.751 179.619 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -141.54 169.72 25.04 Favored Glycine 0 N--CA 1.451 -0.324 0 CA-C-N 115.342 -0.844 . . . . 52.3 111.296 179.777 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 87' ' ' PRO . . . . . 0.707 ' HD3' ' HG ' ' A' ' 4' ' ' LEU . 3.4 Cg_exo -78.28 122.0 5.49 Favored 'Trans proline' 0 N--CA 1.457 -0.665 0 C-N-CA 122.759 2.306 . . . . 70.05 111.912 -177.786 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 88' ' ' ASN . . . . . . . . . . . . . 56.9 t-20 -69.14 136.7 52.57 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 108.532 -0.914 . . . . 72.3 108.532 174.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -61.95 -16.98 55.24 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.897 0.38 . . . . 71.21 111.198 -179.036 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -67.42 -20.63 65.55 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-O 121.475 0.655 . . . . 74.05 110.674 174.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.38 35.2 3.41 Favored Glycine 0 N--CA 1.453 -0.176 0 CA-C-N 115.628 -0.714 . . . . 72.2 111.75 -177.727 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . -140.67 -148.43 5.12 Favored Glycine 0 N--CA 1.452 -0.299 0 N-CA-C 110.789 -0.924 . . . . 70.13 110.789 177.715 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 93' ' ' PHE . . . . . 0.404 ' CD2' HD11 ' B' ' 85' ' ' ILE . 60.6 m-85 -118.82 154.74 32.37 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 117.081 0.441 . . . . 73.12 110.194 178.015 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -141.14 136.17 31.6 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.913 -0.585 . . . . 62.21 109.876 -178.117 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -99.95 132.47 45.28 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.154 -0.476 . . . . 74.21 110.844 -178.063 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 96' ' ' ASP . . . . . 0.41 ' HB3' HD11 ' A' ' 3' ' ' ILE . 31.3 t70 -119.09 115.88 25.2 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.131 -0.94 . . . . 73.53 109.509 179.354 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 97' ' ' VAL . . . . . 0.599 ' HB ' HG23 ' B' ' 134' ' ' VAL . 61.3 t -113.68 111.65 36.95 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-N 116.342 -0.39 . . . . 65.34 110.664 -176.196 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 98' ' ' GLU . . . . . 0.431 ' HG2' ' HB3' ' B' ' 135' ' ' ARG . 34.0 mt-10 -104.39 106.44 16.93 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.993 0.425 . . . . 74.42 109.975 178.575 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 96.3 mt -93.94 116.65 29.11 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 115.849 -0.614 . . . . 75.14 110.389 -177.42 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 100' ' ' ARG . . . . . 0.56 ' HA ' ' O ' ' B' ' 137' ' ' VAL . 79.7 mtt180 -99.45 129.38 45.63 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.108 -0.496 . . . . 70.24 110.128 -178.874 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 101' ' ' VAL . . . . . 0.478 HG22 HG23 ' B' ' 115' ' ' VAL . 73.0 t -110.31 111.32 35.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.415 -0.357 . . . . 60.12 110.927 -178.327 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -111.4 101.64 10.08 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.859 0.361 . . . . 53.32 110.395 177.509 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 103' ' ' LEU . . . . . 0.711 HD23 HD23 ' B' ' 106' ' ' LEU . 34.6 tp -114.47 119.19 40.4 Favored Pre-proline 0 C--N 1.328 -0.366 0 N-CA-C 109.024 -0.732 . . . . 72.24 109.024 177.403 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 104' ' ' PRO . . . . . 0.52 ' HD2' HD12 ' B' ' 103' ' ' LEU . 50.5 Cg_endo -70.78 147.98 57.45 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.552 2.168 . . . . 74.24 112.354 -177.369 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 105' ' ' GLY . . . . . . . . . . . . . . . 72.08 15.45 76.51 Favored Glycine 0 CA--C 1.521 0.418 0 CA-C-N 115.585 -0.734 . . . . 72.34 112.418 -178.475 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 106' ' ' LEU . . . . . 0.711 HD23 HD23 ' B' ' 103' ' ' LEU . 27.1 tp -121.49 146.68 46.68 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 122.787 0.435 . . . . 65.44 111.087 -177.105 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -91.46 148.97 21.92 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 115.909 -0.587 . . . . 63.12 110.745 173.632 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 108' ' ' ALA . . . . . 0.522 ' O ' ' HG3' ' B' ' 112' ' ' LYS . . . -63.35 -39.67 95.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 74.55 110.819 -178.362 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -55.62 -45.11 77.6 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 116.156 -0.474 . . . . 64.51 111.109 -179.233 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 110' ' ' ALA . . . . . 0.562 ' O ' HG21 ' B' ' 113' ' ' THR . . . -73.96 -39.23 63.86 Favored 'General case' 0 C--O 1.239 0.537 0 CA-C-O 121.316 0.579 . . . . 72.03 110.229 177.155 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 111' ' ' ALA . . . . . 0.426 ' O ' HG22 ' B' ' 115' ' ' VAL . . . -54.7 -36.38 64.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.584 -0.734 . . . . 64.14 110.675 179.155 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 112' ' ' LYS . . . . . 0.522 ' HG3' ' O ' ' B' ' 108' ' ' ALA . 62.6 mtpt -56.09 -44.19 78.75 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 115.874 -0.603 . . . . 74.45 111.284 178.77 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 113' ' ' THR . . . . . 0.562 HG21 ' O ' ' B' ' 110' ' ' ALA . 1.6 t -75.35 -35.7 61.11 Favored 'General case' 0 N--CA 1.462 0.162 0 N-CA-C 110.225 -0.287 . . . . 72.03 110.225 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 114' ' ' LEU . . . . . 0.441 ' HG ' ' O ' ' B' ' 110' ' ' ALA . 45.4 mt -61.11 -48.84 79.81 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.238 -0.437 . . . . 72.05 110.774 -179.81 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 115' ' ' VAL . . . . . 0.572 HG21 HG11 ' B' ' 138' ' ' VAL . 54.5 t -68.08 -36.14 74.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.192 -0.458 . . . . 63.55 110.415 179.585 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -55.8 -55.06 36.95 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-N 115.647 -0.706 . . . . 75.43 110.553 178.561 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 117' ' ' ARG . . . . . 0.484 ' HG2' ' O ' ' B' ' 113' ' ' THR . 15.8 ptm180 -70.72 -43.21 69.4 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 115.196 -0.911 . . . . 70.2 111.451 -176.549 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -64.67 -47.74 77.32 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 121.062 0.458 . . . . 61.11 111.273 -176.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 119' ' ' HIS . . . . . 0.645 ' HA ' ' SG ' ' B' ' 122' ' ' CYS . 40.8 t60 -78.81 13.66 1.62 Allowed 'General case' 0 CA--C 1.533 0.324 0 CA-C-O 120.999 0.428 . . . . 74.31 110.884 -176.476 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 51.5 t-80 -97.68 -22.38 16.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.573 -0.285 . . . . 73.32 110.546 177.193 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 16.8 m -128.78 40.1 0.82 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.419 0 CA-C-N 116.22 -0.446 . . . . 73.14 110.977 -175.633 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 122' ' ' CYS . . . . . 0.657 ' SG ' ' HE2' ' B' ' 58' ' ' PHE . 35.5 m -65.23 152.86 90.82 Favored Pre-proline 0 CA--C 1.535 0.37 0 CA-C-N 115.601 -0.727 . . . . 74.53 111.369 -177.4 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 123' ' ' PRO . . . . . 0.403 ' HG2' ' HD2' ' B' ' 124' ' ' TYR . 17.1 Cg_endo -58.87 -42.71 49.92 Favored 'Trans proline' 0 C--N 1.355 0.88 0 C-N-CA 122.319 2.013 . . . . 65.25 110.379 171.547 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 124' ' ' TYR . . . . . 0.647 ' HE2' ' SG ' ' B' ' 57' ' ' CYS . 3.8 m-85 . . . . . 0 C--N 1.331 -0.229 0 N-CA-C 106.714 -1.587 . . . . 65.35 106.714 169.564 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 128' ' ' THR . . . . . 0.412 ' O ' HG21 ' B' ' 134' ' ' VAL . 7.5 t . . . . . 0 N--CA 1.449 -0.482 0 N-CA-C 108.555 -0.905 . . . . 64.4 108.555 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 129' ' ' ARG . . . . . 0.4 ' HD2' ' O ' ' B' ' 119' ' ' HIS . 15.8 ptm180 -130.76 -47.46 1.04 Allowed 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 115.306 -0.861 . . . . 75.21 112.054 -177.388 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 130' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -78.38 -50.15 12.26 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-O 121.117 0.484 . . . . 74.14 111.001 177.34 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 131' ' ' ASN . . . . . . . . . . . . . 48.0 t-20 -69.44 -43.8 72.58 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 115.384 -0.825 . . . . 75.43 110.407 -176.451 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 132' ' ' VAL . . . . . . . . . . . . . 41.8 t -99.23 131.43 46.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.767 -0.652 . . . . 62.31 110.039 179.446 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 133' ' ' ALA . . . . . . . . . . . . . . . -65.62 97.57 0.32 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.286 0.565 . . . . 72.23 110.627 -179.802 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 134' ' ' VAL . . . . . 0.599 HG23 ' HB ' ' B' ' 97' ' ' VAL . 94.6 t -123.61 118.35 54.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.425 -0.807 . . . . 64.53 110.77 -179.089 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 135' ' ' ARG . . . . . 0.431 ' HB3' ' HG2' ' B' ' 98' ' ' GLU . 18.5 tpp180 -86.2 119.28 26.31 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.771 -0.65 . . . . 74.32 109.485 176.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 68.2 mt -91.0 108.22 19.72 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-O 121.238 0.542 . . . . 72.41 110.136 176.029 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 137' ' ' VAL . . . . . 0.56 ' O ' ' HA ' ' B' ' 100' ' ' ARG . 0.2 OUTLIER -118.11 116.58 51.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-N 115.12 -0.945 . . . . 74.23 110.624 -176.621 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 138' ' ' VAL . . . . . 0.572 HG11 HG21 ' B' ' 115' ' ' VAL . 3.1 m -96.66 138.67 21.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.406 -0.815 . . . . 70.52 110.015 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 139' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.234 0 CA-C-O 118.405 -0.807 . . . . 71.35 110.861 -177.379 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.486 ' HE2' ' HB3' ' B' ' 94' ' ' ALA . 12.9 ptt? . . . . . 0 N--CA 1.482 1.128 0 CA-C-O 120.763 0.316 . . . . 71.43 110.874 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 42.8 t30 -71.61 79.0 0.81 Allowed 'General case' 0 CA--C 1.531 0.219 0 CA-C-N 115.894 -0.594 . . . . 75.52 110.681 177.671 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.493 HG22 ' HB2' ' A' ' 6' ' ' LYS . 34.2 mm -75.55 137.57 22.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.732 -0.667 . . . . 51.02 111.478 175.739 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.674 ' HG ' ' HD3' ' B' ' 87' ' ' PRO . 76.3 mt -96.26 -45.72 6.72 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.591 -0.731 . . . . 74.21 110.238 174.786 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 16.6 t80 -131.95 125.37 31.44 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 116.25 -0.432 . . . . 73.42 109.893 -177.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.493 ' HB2' HG22 ' A' ' 3' ' ' ILE . 32.0 ttmt -137.28 133.36 34.92 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 121.005 0.431 . . . . 62.42 111.258 177.781 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 7.7 t -134.78 148.63 50.27 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-N 115.708 -0.678 . . . . 73.02 109.867 -179.44 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.527 ' HA ' ' HA ' ' B' ' 82' ' ' GLU . . . -114.02 150.53 33.77 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-O 121.096 0.475 . . . . 64.34 111.277 -177.189 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.424 ' HA ' ' HA ' ' A' ' 21' ' ' SER . . . -135.45 121.3 19.76 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.931 -0.577 . . . . 73.03 110.001 175.608 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 88.3 m -98.21 128.07 44.48 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.895 -0.593 . . . . 73.43 110.095 -176.543 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.56 ' HA ' ' O ' ' A' ' 18' ' ' ARG . 97.3 p -112.11 120.62 42.45 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.846 0.355 . . . . 74.42 110.93 178.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 6.1 m -99.55 162.67 12.89 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.417 -0.356 . . . . 72.12 110.398 179.68 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -83.73 74.39 2.52 Favored Glycine 0 CA--C 1.52 0.402 0 C-N-CA 121.067 -0.587 . . . . 62.44 112.637 176.721 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -72.75 -145.54 0.64 Allowed Glycine 0 CA--C 1.525 0.657 0 C-N-CA 121.19 -0.528 . . . . 62.02 112.859 173.387 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 13.8 tpt180 -48.48 -52.27 23.11 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-O 121.002 0.43 . . . . 73.04 110.131 178.004 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.554 ' HB3' ' HA ' ' A' ' 31' ' ' SER . 21.5 t70 -125.52 -42.46 1.95 Allowed 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.006 -1.109 . . . . 74.22 108.006 168.282 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -161.36 162.66 33.98 Favored Glycine 0 N--CA 1.441 -0.98 0 CA-C-N 114.815 -1.084 . . . . 73.12 111.071 171.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.585 ' HA ' ' HA ' ' A' ' 29' ' ' LYS . 4.3 ttm180 -133.56 124.4 26.84 Favored 'General case' 0 C--N 1.315 -0.894 0 N-CA-C 108.783 -0.821 . . . . 73.24 108.783 177.192 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -111.23 123.69 50.71 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.879 0.371 . . . . 71.12 110.146 -176.425 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 92.8 m -136.75 111.56 8.8 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.477 -0.329 . . . . 65.23 110.143 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.532 ' HB3' ' N ' ' A' ' 26' ' ' LEU . 29.8 t -67.03 109.14 2.88 Favored 'General case' 0 C--O 1.246 0.9 0 N-CA-C 107.229 -1.397 . . . . 62.3 107.229 176.186 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.445 ' C ' ' H ' ' A' ' 24' ' ' GLN . 11.1 t60 -56.88 -24.53 52.43 Favored 'General case' 0 CA--C 1.52 -0.201 0 O-C-N 126.065 2.103 . . . . 71.44 111.87 -164.78 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -80.49 23.13 0.52 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.215 -0.448 . . . . 73.43 110.188 179.482 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.445 ' H ' ' C ' ' A' ' 22' ' ' HIS . 30.8 mm-40 63.67 21.14 12.57 Favored 'General case' 0 C--N 1.341 0.222 0 C-N-CA 123.485 0.714 . . . . 72.53 110.404 178.631 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.675 ' HG3' HE22 ' B' ' 48' ' ' GLN . 73.1 mmtt -83.54 -30.14 27.32 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 115.325 -0.852 . . . . 73.44 110.163 -179.024 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.532 ' N ' ' HB3' ' A' ' 21' ' ' SER . 44.6 tp -151.71 148.93 28.49 Favored 'General case' 0 CA--C 1.508 -0.669 0 C-N-CA 120.378 -0.529 . . . . 74.42 111.447 -178.353 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -158.27 94.95 1.33 Allowed 'General case' 0 N--CA 1.444 -0.746 0 CA-C-N 115.489 -0.778 . . . . 74.5 110.475 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 3.4 m -146.36 177.96 1.26 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.431 0 CA-C-N 115.567 -0.742 . . . . 62.12 111.253 177.616 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.585 ' HA ' ' HA ' ' A' ' 18' ' ' ARG . 0.7 OUTLIER -133.05 145.36 50.72 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.489 -0.778 . . . . 62.42 109.832 179.112 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.659 ' HB3' ' HB ' ' A' ' 44' ' ' THR . 0.0 OUTLIER -126.83 164.84 20.5 Favored 'General case' 0 C--O 1.249 1.058 0 CA-C-O 121.172 0.511 . . . . 73.21 111.118 -179.473 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.554 ' HA ' ' HB3' ' A' ' 16' ' ' ASP . 20.0 p -169.53 113.94 0.53 Allowed 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 115.063 -0.972 . . . . 75.34 110.746 -172.335 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -69.33 131.7 90.12 Favored Pre-proline 0 C--O 1.238 0.498 0 CA-C-N 115.777 -0.647 . . . . 52.21 110.196 178.093 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_exo -52.01 148.24 24.16 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 122.655 2.237 . . . . 73.33 112.178 177.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 9.5 mmt180 -66.66 -1.48 3.8 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 116.213 -0.449 . . . . 64.52 111.3 179.727 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 32.1 mm-40 -59.12 -32.32 69.74 Favored 'General case' 0 CA--C 1.529 0.153 0 O-C-N 123.23 0.331 . . . . 75.14 111.057 178.375 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.452 ' N ' HD21 ' A' ' 36' ' ' LEU . 2.1 mm? -100.39 4.2 43.71 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 121.073 0.463 . . . . 73.53 109.953 177.591 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 80.28 34.43 29.39 Favored Glycine 0 N--CA 1.45 -0.376 0 N-CA-C 111.565 -0.614 . . . . 72.22 111.565 -173.065 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -84.4 -113.13 0.64 Allowed Glycine 0 C--N 1.334 0.441 0 C-N-CA 121.253 -0.499 . . . . 73.44 112.787 -177.249 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -106.04 -48.69 3.55 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.958 0.409 . . . . 63.22 110.793 -178.113 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 101.77 80.41 1.48 Allowed Glycine 0 N--CA 1.452 -0.263 0 CA-C-N 115.857 -0.611 . . . . 45.53 111.884 -177.539 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -175.31 163.19 3.03 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 122.782 0.433 . . . . 51.12 109.859 -177.282 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.461 ' HG3' ' N ' ' A' ' 43' ' ' GLY . 17.3 pt-20 -68.99 -47.2 66.14 Favored 'General case' 0 CA--C 1.508 -0.642 0 CA-C-O 122.238 1.018 . . . . 71.23 109.831 177.174 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.461 ' N ' ' HG3' ' A' ' 42' ' ' GLU . . . 23.71 -142.24 0.01 OUTLIER Glycine 0 C--N 1.296 -1.668 0 CA-C-N 111.419 -2.628 . . . . 55.55 114.715 -178.535 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.659 ' HB ' ' HB3' ' A' ' 30' ' ' LEU . 87.6 m -128.81 150.93 50.1 Favored 'General case' 0 N--CA 1.446 -0.634 0 N-CA-C 108.744 -0.836 . . . . 74.01 108.744 171.294 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 6.2 m120 -95.14 131.14 30.65 Favored Pre-proline 0 CA--C 1.534 0.349 0 C-N-CA 122.26 0.224 . . . . 72.33 111.042 -177.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -57.64 -53.72 4.22 Favored 'Trans proline' 0 C--N 1.352 0.715 0 C-N-CA 123.093 2.529 . . . . 63.04 113.155 177.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.75 -44.2 97.01 Favored 'General case' 0 N--CA 1.469 0.524 0 N-CA-C 109.876 -0.416 . . . . 62.13 109.876 -179.455 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.589 ' OE1' ' HB2' ' B' ' 21' ' ' SER . 0.7 OUTLIER -53.12 -45.85 68.5 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.686 -0.688 . . . . 74.41 110.608 171.91 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.515 HD13 ' HA3' ' B' ' 53' ' ' GLY . 2.3 tm? -57.26 -50.11 73.93 Favored 'General case' 0 C--O 1.241 0.611 0 CA-C-N 115.643 -0.708 . . . . 71.11 109.36 -175.608 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 84.0 t80 -59.43 -50.7 72.91 Favored 'General case' 0 C--O 1.222 -0.372 0 CA-C-N 115.804 -0.635 . . . . 65.21 110.372 175.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.11 -45.56 75.52 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 116.442 -0.345 . . . . 52.03 111.734 -176.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -68.93 -49.3 59.24 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-O 121.035 0.445 . . . . 73.32 110.946 -177.716 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.487 ' HA3' HD13 ' B' ' 49' ' ' LEU . . . -64.08 -28.65 73.15 Favored Glycine 0 C--N 1.332 0.338 0 C-N-CA 120.538 -0.839 . . . . 45.35 111.808 178.504 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.759 ' HA ' ' SG ' ' A' ' 57' ' ' CYS . 1.4 t80 -74.85 -47.88 27.96 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 123.221 0.608 . . . . 74.55 110.444 179.589 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.592 ' HB3' ' HB3' ' A' ' 81' ' ' ALA . 45.7 p -62.06 -36.79 82.7 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.196 0.522 . . . . 73.1 109.82 178.407 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.491 ' HB2' HD23 ' B' ' 30' ' ' LEU . . . -69.83 -49.33 53.64 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-N 115.629 -0.714 . . . . 72.41 111.101 177.475 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.759 ' SG ' ' HA ' ' A' ' 54' ' ' TYR . 21.1 p -61.84 -35.96 79.8 Favored 'General case' 0 C--O 1.223 -0.32 0 N-CA-C 110.042 -0.355 . . . . 74.4 110.042 179.477 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 48.7 t80 -52.61 -44.29 65.92 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 115.823 -0.626 . . . . 74.24 109.621 177.308 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.523 HD23 HG22 ' A' ' 79' ' ' VAL . 94.2 mt -64.77 -46.74 80.85 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.394 -0.821 . . . . 74.12 110.524 176.548 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 35.0 t -55.17 -51.45 66.47 Favored 'General case' 0 C--O 1.238 0.495 0 CA-C-O 121.347 0.594 . . . . 74.4 110.437 179.244 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.418 ' O ' HG23 ' A' ' 65' ' ' VAL . . . -58.92 -39.61 82.07 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.722 -0.672 . . . . 64.15 110.1 177.461 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' MET . . . . . 0.712 ' HA ' ' HE2' ' A' ' 62' ' ' MET . 2.9 tpt -60.51 -38.24 83.72 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-N 115.989 -0.55 . . . . 61.32 110.387 177.203 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.518 ' NZ ' ' HA ' ' B' ' 16' ' ' ASP . 2.4 mptm? -61.61 -51.91 66.54 Favored 'General case' 0 N--CA 1.468 0.434 0 N-CA-C 109.888 -0.412 . . . . 62.32 109.888 175.373 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 53.7 t80 -58.79 -44.86 90.82 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 115.905 -0.589 . . . . 70.35 110.738 -178.716 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.418 HG23 ' O ' ' A' ' 61' ' ' ALA . 54.9 t -56.83 -49.7 77.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.164 -0.471 . . . . 51.41 110.172 177.421 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -57.92 -32.65 67.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.073 0.463 . . . . 55.45 110.48 177.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -68.59 -32.22 74.55 Favored Glycine 0 N--CA 1.451 -0.332 0 CA-C-N 115.23 -0.896 . . . . 65.01 111.929 -177.326 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -97.96 -13.13 21.31 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.46 -0.57 . . . . 73.33 109.46 -179.386 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -95.4 -0.8 52.12 Favored 'General case' 0 CA--C 1.517 -0.306 0 CA-C-N 115.351 -0.841 . . . . 73.35 110.909 176.832 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 23.1 mmtm 61.3 24.54 14.63 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.455 -0.793 . . . . 70.5 111.118 171.722 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.507 HE22 HD22 ' A' ' 73' ' ' LEU . 1.1 pt20 -116.6 163.98 15.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.3 -0.409 . . . . 65.11 110.542 -176.628 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 29.8 p -110.84 134.31 52.64 Favored 'General case' 0 C--O 1.237 0.422 0 CA-C-O 121.159 0.504 . . . . 71.13 111.89 -174.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.507 HD22 HE22 ' A' ' 71' ' ' GLN . 71.0 mt -109.58 140.4 22.1 Favored Pre-proline 0 C--N 1.327 -0.383 0 CA-C-N 115.53 -0.759 . . . . 64.52 110.429 176.674 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . 0.552 ' HD2' HD13 ' A' ' 103' ' ' LEU . 23.3 Cg_exo -66.3 132.65 30.15 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.365 2.044 . . . . 75.32 111.21 173.451 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -77.03 -8.44 57.43 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 112.246 0.461 . . . . 74.43 112.246 -175.796 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -90.56 11.98 20.23 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.25 0.548 . . . . 72.44 111.276 -177.429 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.516 ' HB ' HD12 ' A' ' 103' ' ' LEU . 8.3 t -73.58 160.62 31.37 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.011 -0.54 . . . . 74.0 111.514 -178.349 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.552 HG22 ' HA ' ' B' ' 12' ' ' THR . 1.3 p -151.75 150.17 29.88 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.626 -0.716 . . . . 72.13 111.245 -174.815 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.523 HG22 HD23 ' A' ' 59' ' ' LEU . 97.8 t -133.54 135.08 56.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.679 -0.691 . . . . 73.54 109.185 174.885 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 25.5 m -117.88 109.42 16.51 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.682 0.277 . . . . 61.0 110.472 179.58 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.592 ' HB3' ' HB3' ' A' ' 55' ' ' SER . . . -94.73 108.95 20.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 75.0 109.919 178.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.425 ' HA ' ' HA ' ' B' ' 8' ' ' ALA . 24.6 tt0 -105.9 107.67 18.79 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.134 -0.691 . . . . 75.53 109.134 178.712 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.659 HG23 HG22 ' A' ' 97' ' ' VAL . 6.0 p -107.51 137.46 38.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.971 -0.559 . . . . 74.25 111.165 -172.272 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . 0.43 ' HA2' ' HA ' ' B' ' 6' ' ' LYS . . . -134.02 162.2 24.46 Favored Glycine 0 N--CA 1.445 -0.754 0 C-N-CA 121.174 -0.536 . . . . 64.22 112.465 178.353 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -133.44 134.13 57.17 Favored 'Isoleucine or valine' 0 C--O 1.24 0.601 0 N-CA-C 109.132 -0.692 . . . . 71.32 109.132 179.155 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -155.35 169.85 33.33 Favored Glycine 0 N--CA 1.452 -0.27 0 N-CA-C 111.119 -0.792 . . . . 64.2 111.119 178.654 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . 0.457 ' HD3' ' HG ' ' B' ' 4' ' ' LEU . 51.8 Cg_endo -71.08 132.61 21.54 Favored 'Trans proline' 0 N--CA 1.459 -0.542 0 C-N-CA 122.034 1.822 . . . . 75.13 111.518 177.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . 0.467 ' HB2' ' HB2' ' A' ' 94' ' ' ALA . 51.9 t30 -78.82 158.74 28.1 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.452 -0.794 . . . . 63.43 109.618 -179.467 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -59.38 -25.25 64.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.038 0.447 . . . . 74.31 110.824 178.632 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -70.0 -22.36 63.13 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 115.821 -0.627 . . . . 62.35 111.003 177.052 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.54 3.43 43.64 Favored Glycine 0 CA--C 1.519 0.322 0 CA-C-N 115.898 -0.592 . . . . 52.42 112.489 -177.172 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -97.23 -148.96 24.81 Favored Glycine 0 C--N 1.332 0.359 0 N-CA-C 111.176 -0.77 . . . . 74.12 111.176 174.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 55.1 m-85 -111.19 160.48 16.9 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-N 117.07 0.435 . . . . 72.25 109.921 176.343 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . 0.467 ' HB2' ' HB2' ' A' ' 88' ' ' ASN . . . -152.86 145.22 24.02 Favored 'General case' 0 C--O 1.238 0.448 0 CA-C-O 120.703 0.287 . . . . 73.43 110.881 -177.315 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -103.5 138.46 40.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.619 -0.719 . . . . 75.45 110.105 178.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . 0.499 ' HB2' ' SD ' ' B' ' 1' ' ' MET . 35.5 t70 -133.82 110.61 9.88 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.364 -0.835 . . . . 62.1 109.114 -177.236 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.659 HG22 HG23 ' A' ' 83' ' ' VAL . 22.7 t -122.27 110.81 28.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 N-CA-C 112.216 0.451 . . . . 41.42 112.216 -171.698 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.47 ' CD ' ' HZ1' ' B' ' 6' ' ' LYS . 1.5 mp0 -79.22 103.09 8.91 Favored 'General case' 0 C--O 1.236 0.346 0 N-CA-C 109.01 -0.737 . . . . 52.25 109.01 170.617 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 21.3 tp -94.08 107.0 18.96 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.243 -0.651 . . . . 73.33 109.243 -179.806 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . 0.575 ' HA ' ' O ' ' A' ' 137' ' ' VAL . 58.6 mtt180 -99.59 118.99 37.35 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.834 -0.621 . . . . 73.43 110.354 -174.357 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 48.5 t -107.72 105.31 18.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 N-CA-C 110.258 -0.275 . . . . 72.23 110.258 -177.785 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -106.5 101.63 11.08 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.941 0.4 . . . . 73.1 110.889 -178.669 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.654 HD22 HD22 ' A' ' 106' ' ' LEU . 37.4 tp -109.74 123.18 37.06 Favored Pre-proline 0 C--N 1.327 -0.371 0 N-CA-C 108.943 -0.762 . . . . 73.31 108.943 177.654 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . 0.497 ' HD2' HD12 ' A' ' 103' ' ' LEU . 57.3 Cg_endo -71.19 146.84 52.47 Favored 'Trans proline' 0 N--CA 1.461 -0.441 0 C-N-CA 122.266 1.978 . . . . 73.52 112.209 -177.3 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 69.03 14.91 68.88 Favored Glycine 0 CA--C 1.519 0.31 0 CA-C-N 115.304 -0.862 . . . . 54.45 112.73 -178.019 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.654 HD22 HD22 ' A' ' 103' ' ' LEU . 33.3 tp -114.15 141.68 47.2 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-O 121.172 0.51 . . . . 65.03 111.24 -178.346 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 33.9 m-20 -84.27 146.44 27.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.517 -0.765 . . . . 72.42 110.486 172.678 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . 0.439 ' O ' ' HG3' ' A' ' 112' ' ' LYS . . . -63.47 -35.16 79.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.982 0.42 . . . . 74.35 110.491 178.385 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -56.89 -49.78 74.5 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.865 -0.607 . . . . 64.13 110.826 179.257 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . 0.506 ' O ' HG22 ' A' ' 113' ' ' THR . . . -73.45 -35.09 65.7 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-O 121.168 0.508 . . . . 73.25 110.162 177.798 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -55.08 -36.21 65.38 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.684 -0.689 . . . . 54.13 110.682 178.549 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . 0.439 ' HG3' ' O ' ' A' ' 108' ' ' ALA . 98.7 mttt -53.71 -43.87 69.37 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 116.114 -0.494 . . . . 74.23 111.221 177.531 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' THR . . . . . 0.506 HG22 ' O ' ' A' ' 110' ' ' ALA . 1.2 t -80.11 -35.3 37.02 Favored 'General case' 0 CA--C 1.529 0.141 0 CA-C-O 120.643 0.259 . . . . 74.22 110.309 -177.435 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 44.1 mt -64.48 -45.45 87.28 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-O 120.852 0.358 . . . . 61.01 110.353 -179.64 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . 0.504 HG21 HG12 ' A' ' 138' ' ' VAL . 92.3 t -68.01 -32.7 57.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.99 -0.55 . . . . 72.22 110.054 176.79 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . 0.461 ' HA ' ' HD1' ' A' ' 119' ' ' HIS . 13.4 t70 -58.55 -61.49 2.55 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.449 -0.341 . . . . 65.51 110.514 177.548 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . 0.447 ' HG2' ' O ' ' A' ' 113' ' ' THR . 15.5 ptm180 -61.18 -41.38 96.69 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-N 115.524 -0.762 . . . . 65.24 110.759 -178.594 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -59.54 -41.78 90.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.998 -0.546 . . . . 63.41 111.1 179.013 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . 0.536 ' HB2' ' HB2' ' A' ' 125' ' ' SER . 3.0 p-80 -89.54 13.47 13.85 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-O 121.069 0.461 . . . . 74.13 110.861 178.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 54.8 t-80 -108.55 -34.8 6.63 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 116.007 -0.542 . . . . 75.14 110.57 174.314 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . 0.424 HG22 ' SG ' ' A' ' 122' ' ' CYS . 35.3 m -77.36 -32.99 19.23 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.24 0 CA-C-N 116.119 -0.491 . . . . 74.54 112.094 -176.168 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' CYS . . . . . 0.538 ' HB2' ' OG ' ' A' ' 125' ' ' SER . 33.3 m -91.82 131.12 36.38 Favored Pre-proline 0 CA--C 1.535 0.378 0 CA-C-O 120.516 0.198 . . . . 72.12 110.846 -176.12 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -59.86 -37.82 83.64 Favored 'Trans proline' 0 C--N 1.352 0.72 0 C-N-CA 122.412 2.075 . . . . 75.04 111.744 179.536 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' TYR . . . . . 0.416 ' HE1' ' CG ' ' B' ' 50' ' ' PHE . 92.3 m-85 -61.34 -34.19 74.86 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 115.937 -0.574 . . . . 65.44 110.727 179.596 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' SER . . . . . 0.538 ' OG ' ' HB2' ' A' ' 122' ' ' CYS . 29.4 p -89.0 -24.59 22.34 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.109 -0.496 . . . . 65.33 111.244 -176.01 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' ASN . . . . . 0.52 ' O ' ' HG2' ' A' ' 129' ' ' ARG . 80.4 m-20 -66.53 -31.63 72.48 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.734 0.778 . . . . 73.42 109.067 168.842 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . 0.474 ' O ' ' HB3' ' A' ' 131' ' ' ASN . . . -71.32 -17.33 62.45 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.03 -0.986 . . . . 54.1 110.979 174.507 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 128' ' ' THR . . . . . 0.586 ' OG1' HG21 ' A' ' 134' ' ' VAL . 0.5 OUTLIER -87.96 -5.88 58.31 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.643 0.735 . . . . 73.21 109.272 -170.088 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . 0.52 ' HG2' ' O ' ' A' ' 126' ' ' ASN . 13.5 ptm180 -119.72 -60.03 1.75 Allowed 'General case' 0 N--CA 1.444 -0.746 0 CA-C-N 115.13 -0.941 . . . . 72.04 110.288 -172.181 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 88.3 m-20 -79.28 -24.69 42.74 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.242 -0.436 . . . . 71.52 111.964 -176.324 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 131' ' ' ASN . . . . . 0.474 ' HB3' ' O ' ' A' ' 127' ' ' ALA . 0.2 OUTLIER -103.93 -42.08 5.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 72.12 110.934 -174.476 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . 0.404 HG13 ' N ' ' A' ' 133' ' ' ALA . 29.2 t -120.87 158.52 23.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.278 -0.419 . . . . 70.22 110.467 -169.665 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . 0.404 ' N ' HG13 ' A' ' 132' ' ' VAL . . . -93.52 97.54 10.59 Favored 'General case' 0 C--O 1.238 0.482 0 CA-C-O 121.692 0.758 . . . . 45.42 110.391 178.568 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . 0.608 HG23 ' HB ' ' A' ' 97' ' ' VAL . 84.9 t -125.62 116.38 46.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.307 -0.861 . . . . 75.02 110.543 -178.171 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . 0.401 HH11 ' HD3' ' A' ' 135' ' ' ARG . 6.6 tpt180 -76.76 105.0 7.57 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 115.726 -0.67 . . . . 74.34 109.697 178.395 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . 0.411 HD22 ' HA ' ' A' ' 136' ' ' LEU . 43.5 mt -75.38 103.37 5.49 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.281 0.562 . . . . 50.04 110.51 177.765 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . 0.575 ' O ' ' HA ' ' A' ' 100' ' ' ARG . 0.2 OUTLIER -113.9 114.61 47.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 115.096 -0.956 . . . . 74.42 109.767 -178.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . 0.504 HG12 HG21 ' A' ' 115' ' ' VAL . 3.3 m -94.78 138.95 19.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 115.678 -0.692 . . . . 71.15 109.72 -177.378 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.315 -0.907 0 CA-C-N 115.805 -0.634 . . . . 73.13 110.755 -175.701 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 1' ' ' MET . . . . . 0.499 ' SD ' ' HB2' ' A' ' 96' ' ' ASP . 27.1 ptm . . . . . 0 C--O 1.234 0.28 0 CA-C-O 120.96 0.41 . . . . 72.42 110.714 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 19.0 t30 -99.38 85.47 3.18 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.612 -0.722 . . . . 61.35 109.732 -179.442 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . 0.509 HG22 ' HB2' ' B' ' 6' ' ' LYS . 31.6 mm -68.37 135.27 28.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 115.176 -0.92 . . . . 72.42 112.564 -177.769 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . 0.457 ' HG ' ' HD3' ' A' ' 87' ' ' PRO . 92.1 mt -85.02 -45.06 12.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.599 -0.728 . . . . 75.25 110.128 174.546 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 5' ' ' TYR . . . . . . . . . . . . . 42.9 t80 -140.86 129.65 22.99 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 116.514 -0.312 . . . . 75.45 110.736 -178.073 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . 0.509 ' HB2' HG22 ' B' ' 3' ' ' ILE . 35.2 ttmt -137.28 136.87 38.42 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-O 120.971 0.415 . . . . 65.01 110.781 178.576 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 9.0 t -131.39 148.11 52.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.944 -0.571 . . . . 73.02 109.942 179.68 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . 0.425 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . . . -107.04 144.05 34.26 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-O 120.904 0.383 . . . . 64.22 111.107 -176.606 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . 0.5 ' HA ' ' HA ' ' B' ' 21' ' ' SER . . . -130.4 122.06 27.08 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.132 -0.485 . . . . 71.2 110.284 177.103 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 8.9 t -100.46 125.32 46.75 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.335 -0.393 . . . . 64.31 110.182 179.336 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 11' ' ' SER . . . . . 0.562 ' HA ' ' O ' ' B' ' 18' ' ' ARG . 13.5 p -124.36 119.51 29.45 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.823 0.344 . . . . 74.14 110.961 -179.877 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 12' ' ' THR . . . . . 0.552 ' HA ' HG22 ' A' ' 78' ' ' THR . 4.0 m -86.92 165.74 15.67 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.928 -0.578 . . . . 73.24 109.76 175.888 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -78.47 -1.92 83.27 Favored Glycine 0 N--CA 1.449 -0.493 0 CA-C-O 119.114 -0.826 . . . . 71.12 113.866 -178.579 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 28.81 -140.84 0.01 OUTLIER Glycine 0 C--N 1.348 1.216 0 O-C-N 124.074 0.514 . . . . 73.4 113.244 -174.474 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 94.7 mtt180 -67.65 -47.73 68.69 Favored 'General case' 0 C--O 1.234 0.24 0 N-CA-C 107.025 -1.472 . . . . 65.14 107.025 159.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 16' ' ' ASP . . . . . 0.526 ' HB3' ' HA ' ' B' ' 31' ' ' SER . 25.5 t0 -125.75 -43.1 1.88 Allowed 'General case' 0 C--O 1.235 0.307 0 CA-C-N 114.684 -1.144 . . . . 65.33 111.068 177.624 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 17' ' ' GLY . . . . . 0.424 ' O ' ' HG3' ' B' ' 29' ' ' LYS . . . -167.4 159.92 33.4 Favored Glycine 0 C--N 1.341 0.834 0 C-N-CA 119.606 -1.283 . . . . 74.22 112.578 170.136 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 18' ' ' ARG . . . . . 0.638 ' HA ' ' HA ' ' B' ' 29' ' ' LYS . 5.2 tmm_? -145.67 100.87 3.49 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 108.702 -0.851 . . . . 74.4 108.702 179.116 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -102.43 124.06 47.32 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.88 0.372 . . . . 64.31 111.093 -171.699 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 91.6 m -134.56 116.17 14.73 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.936 -0.574 . . . . 75.11 110.091 178.6 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 21' ' ' SER . . . . . 0.589 ' HB2' ' OE1' ' A' ' 48' ' ' GLN . 30.0 t -76.61 112.72 13.47 Favored 'General case' 0 C--O 1.246 0.903 0 N-CA-C 107.965 -1.124 . . . . 74.21 107.965 175.115 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 22' ' ' HIS . . . . . 0.435 ' C ' ' H ' ' B' ' 24' ' ' GLN . 49.1 t-80 -55.5 -27.71 50.2 Favored 'General case' 0 C--N 1.344 0.339 0 O-C-N 126.484 2.365 . . . . 73.12 112.307 -169.405 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 41.3 t0 -80.61 18.44 0.95 Allowed 'General case' 0 CA--C 1.536 0.412 0 CA-C-O 121.67 0.748 . . . . 63.54 109.419 178.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 24' ' ' GLN . . . . . 0.435 ' H ' ' C ' ' B' ' 22' ' ' HIS . 31.0 mm-40 66.45 22.86 10.64 Favored 'General case' 0 CA--C 1.52 -0.179 0 CA-C-N 114.608 -1.178 . . . . 71.43 110.295 176.689 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -80.55 -26.08 38.22 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.482 -0.781 . . . . 41.25 109.889 176.794 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . 0.527 ' N ' ' HB3' ' B' ' 21' ' ' SER . 55.7 tp -152.35 150.1 29.35 Favored 'General case' 0 C--N 1.344 0.33 0 C-N-CA 119.85 -0.74 . . . . 73.34 111.512 -177.892 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -162.33 91.01 0.76 Allowed 'General case' 0 N--CA 1.467 0.377 0 O-C-N 123.602 0.564 . . . . 53.33 110.675 175.422 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 28' ' ' VAL . . . . . 0.435 HG21 HD13 ' B' ' 26' ' ' LEU . 3.7 m -150.8 178.16 0.6 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.681 0 CA-C-O 121.22 0.533 . . . . 74.12 111.647 178.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . 0.638 ' HA ' ' HA ' ' B' ' 18' ' ' ARG . 13.7 ttmt -128.34 145.61 51.02 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.381 -0.827 . . . . 74.12 109.801 177.316 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . 0.828 ' HA ' ' H ' ' B' ' 44' ' ' THR . 0.0 OUTLIER -128.79 157.86 40.29 Favored 'General case' 0 C--O 1.26 1.646 0 CA-C-O 121.567 0.699 . . . . 72.32 111.41 179.066 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 31' ' ' SER . . . . . 0.526 ' HA ' ' HB3' ' B' ' 16' ' ' ASP . 48.1 m -156.08 124.55 5.86 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 114.098 -1.41 . . . . 62.35 110.498 -178.713 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.22 128.92 82.73 Favored Pre-proline 0 C--O 1.239 0.503 0 CA-C-N 115.707 -0.679 . . . . 75.13 110.548 179.588 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 33' ' ' PRO . . . . . 0.685 ' HG3' HD22 ' B' ' 45' ' ' ASN . 18.4 Cg_endo -55.35 131.25 45.15 Favored 'Trans proline' 0 C--N 1.351 0.672 0 C-N-CA 122.782 2.321 . . . . 72.21 111.092 -179.122 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 34' ' ' ARG . . . . . 0.745 ' HB2' ' HA3' ' B' ' 40' ' ' GLY . 9.4 ttt180 -74.15 -3.13 27.83 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.601 -0.272 . . . . 71.43 111.102 -173.28 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -57.01 -31.04 64.71 Favored 'General case' 0 CA--C 1.532 0.25 0 CA-C-N 115.932 -0.576 . . . . 72.42 110.625 179.671 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . 0.513 ' HG ' HD13 ' B' ' 85' ' ' ILE . 1.4 mm? -98.18 7.88 45.62 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 115.705 -0.68 . . . . 63.52 110.619 -177.196 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 79.47 59.31 2.71 Favored Glycine 0 N--CA 1.452 -0.24 0 N-CA-C 110.901 -0.88 . . . . 51.22 110.901 -172.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -122.72 -129.41 3.53 Favored Glycine 0 C--N 1.331 0.28 0 C-N-CA 121.581 -0.342 . . . . 64.12 112.436 -174.67 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -94.47 -50.38 5.24 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.982 0.42 . . . . 71.25 110.123 -174.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 40' ' ' GLY . . . . . 0.745 ' HA3' ' HB2' ' B' ' 34' ' ' ARG . . . 62.34 85.02 0.05 OUTLIER Glycine 0 N--CA 1.447 -0.62 0 CA-C-N 115.526 -0.761 . . . . 53.13 112.39 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . 0.421 ' HB1' ' CB ' ' B' ' 31' ' ' SER . . . -144.62 -171.97 3.72 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.887 0.375 . . . . 75.21 111.216 -176.88 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -81.93 9.22 8.62 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-N 115.62 -0.718 . . . . 74.14 111.43 -179.384 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -83.78 -175.4 50.87 Favored Glycine 0 C--N 1.335 0.476 0 C-N-CA 121.349 -0.453 . . . . 72.12 112.493 179.27 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 44' ' ' THR . . . . . 0.828 ' H ' ' HA ' ' B' ' 30' ' ' LEU . 18.1 p -102.02 173.9 6.18 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 122.499 0.319 . . . . 70.51 111.626 -177.511 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 45' ' ' ASN . . . . . 0.685 HD22 ' HG3' ' B' ' 33' ' ' PRO . 3.0 m120 -86.59 122.18 71.88 Favored Pre-proline 0 CA--C 1.538 0.508 0 CA-C-N 116.062 -0.517 . . . . 71.14 110.761 -179.826 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 46' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -56.21 -54.13 4.4 Favored 'Trans proline' 0 CA--C 1.54 0.785 0 C-N-CA 123.036 2.491 . . . . 54.41 113.315 178.368 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.68 -37.79 87.83 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-O 120.811 0.338 . . . . 73.03 110.308 -179.728 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . 0.675 HE22 ' HG3' ' A' ' 25' ' ' LYS . 35.2 tt0 -58.15 -42.8 86.68 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.859 -0.61 . . . . 65.22 110.282 174.599 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 49' ' ' LEU . . . . . 0.487 HD13 ' HA3' ' A' ' 53' ' ' GLY . 3.3 tm? -60.62 -49.19 78.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.362 -0.835 . . . . 73.15 109.676 179.257 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 50' ' ' PHE . . . . . 0.416 ' CG ' ' HE1' ' A' ' 124' ' ' TYR . 66.3 t80 -58.24 -45.13 88.32 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-N 116.418 -0.355 . . . . 74.53 110.671 176.563 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . 0.405 ' HB3' ' CG1' ' B' ' 83' ' ' VAL . . . -54.66 -52.96 60.72 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.212 -0.449 . . . . 63.22 111.342 178.294 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -57.8 -46.97 83.89 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.951 -0.568 . . . . 74.31 111.167 179.566 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . 0.515 ' HA3' HD13 ' A' ' 49' ' ' LEU . . . -65.09 -38.35 95.24 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.98 -0.629 . . . . 73.22 112.212 179.69 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 54' ' ' TYR . . . . . 0.738 ' HA ' ' SG ' ' B' ' 57' ' ' CYS . 2.5 t80 -71.33 -41.49 69.75 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 122.418 0.287 . . . . 73.43 110.519 -177.768 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 55' ' ' SER . . . . . 0.5 ' HB3' ' HB2' ' B' ' 81' ' ' ALA . 21.1 p -65.08 -43.36 92.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.05 0.452 . . . . 71.55 110.124 177.785 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.05 -49.24 76.78 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.771 -0.649 . . . . 72.32 110.801 177.019 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 57' ' ' CYS . . . . . 0.738 ' SG ' ' HA ' ' B' ' 54' ' ' TYR . 21.9 p -65.81 -36.03 82.34 Favored 'General case' 0 C--O 1.225 -0.206 0 CA-C-N 116.282 -0.417 . . . . 72.4 110.5 -178.59 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 32.5 t80 -63.16 -41.1 99.19 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-O 121.197 0.522 . . . . 61.11 109.613 -179.499 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 6.5 tt -64.65 -45.83 85.1 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 115.635 -0.711 . . . . 73.31 109.252 176.65 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 60' ' ' SER . . . . . 0.511 ' HA ' ' HG2' ' B' ' 63' ' ' LYS . 21.3 t -61.09 -34.78 75.47 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-O 121.475 0.655 . . . . 73.23 110.048 177.14 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.03 -42.92 88.99 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.88 -0.6 . . . . 44.1 110.057 178.398 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 62' ' ' MET . . . . . 0.434 ' HE2' HD11 ' B' ' 73' ' ' LEU . 62.7 mmm -63.62 -42.65 98.18 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.373 -0.376 . . . . 71.0 111.688 179.08 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . 0.511 ' HG2' ' HA ' ' B' ' 60' ' ' SER . 21.3 ptmt -67.75 -37.55 82.28 Favored 'General case' 0 N--CA 1.465 0.29 0 C-N-CA 120.643 -0.423 . . . . 72.03 110.303 179.514 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 67.5 t80 -66.89 -46.02 76.23 Favored 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 110.056 -0.349 . . . . 73.11 110.056 177.268 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 25.4 t -55.46 -46.82 78.87 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.102 0 CA-C-N 116.106 -0.497 . . . . 75.05 110.123 175.585 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -57.54 -33.55 68.23 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.809 -0.632 . . . . 74.13 110.424 177.561 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -67.31 -32.0 78.55 Favored Glycine 0 N--CA 1.452 -0.262 0 CA-C-N 115.434 -0.803 . . . . 75.04 112.323 -178.299 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 13.5 pt20 -97.4 -14.86 20.96 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 121.362 0.601 . . . . 64.5 109.522 -179.46 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -89.72 -3.47 58.18 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.278 -0.874 . . . . 65.21 110.145 175.521 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 62.01 35.37 16.09 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 115.662 -0.699 . . . . 73.12 110.991 176.54 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -128.9 166.25 19.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.19 -0.913 . . . . 74.24 109.815 177.209 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 64.0 p -123.31 144.05 49.68 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.014 0.435 . . . . 74.12 110.588 178.107 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 73' ' ' LEU . . . . . 0.434 HD11 ' HE2' ' B' ' 62' ' ' MET . 96.6 mt -109.56 144.44 29.86 Favored Pre-proline 0 C--N 1.324 -0.537 0 CA-C-N 115.66 -0.7 . . . . 75.15 110.358 178.122 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 74' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_endo -57.06 138.23 85.39 Favored 'Trans proline' 0 C--N 1.348 0.551 0 C-N-CA 122.951 2.434 . . . . 74.32 112.525 178.166 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -71.82 -20.25 61.87 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 121.485 0.66 . . . . 71.53 111.458 -179.284 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -87.69 18.25 4.15 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.246 -0.888 . . . . 60.22 111.603 -171.295 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 77' ' ' THR . . . . . 0.533 ' HG1' HD22 ' B' ' 103' ' ' LEU . 3.5 t -84.67 167.47 16.16 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.017 0.436 . . . . 73.25 111.922 -177.585 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 78' ' ' THR . . . . . 0.436 ' HA ' ' O ' ' A' ' 11' ' ' SER . 1.1 p -151.7 149.29 28.92 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 115.533 -0.758 . . . . 71.23 110.439 177.793 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 73.7 t -131.98 118.22 36.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 N-CA-C 109.489 -0.56 . . . . 54.24 109.489 175.242 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 19.0 m -105.68 113.2 26.62 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-O 120.837 0.351 . . . . 75.2 110.89 -177.472 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 81' ' ' ALA . . . . . 0.5 ' HB2' ' HB3' ' B' ' 55' ' ' SER . . . -93.18 110.74 22.25 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.323 -0.621 . . . . 73.43 109.323 176.082 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 82' ' ' GLU . . . . . 0.527 ' HA ' ' HA ' ' A' ' 8' ' ' ALA . 28.6 tt0 -108.13 109.07 20.39 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.77 -0.455 . . . . 71.23 109.77 -178.758 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . 0.405 ' CG1' ' HB3' ' B' ' 51' ' ' ALA . 18.3 m -101.79 145.9 10.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.025 -0.534 . . . . 71.44 110.813 -177.079 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 84' ' ' GLY . . . . . . . . . . . . . . . -139.16 155.44 23.93 Favored Glycine 0 N--CA 1.442 -0.961 0 N-CA-C 111.252 -0.739 . . . . 52.45 111.252 178.037 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 85' ' ' ILE . . . . . 0.537 HD11 ' CD2' ' B' ' 93' ' ' PHE . 0.0 OUTLIER -132.86 130.72 59.03 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 N-CA-C 109.133 -0.692 . . . . 73.1 109.133 -178.674 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -134.81 169.85 23.04 Favored Glycine 0 N--CA 1.452 -0.249 0 CA-C-N 115.25 -0.886 . . . . 52.3 111.009 179.063 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 87' ' ' PRO . . . . . 0.674 ' HD3' ' HG ' ' A' ' 4' ' ' LEU . 79.4 Cg_endo -89.97 139.18 3.09 Favored 'Trans proline' 0 N--CA 1.452 -0.929 0 C-N-CA 122.577 2.185 . . . . 70.05 112.756 -175.282 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 88' ' ' ASN . . . . . . . . . . . . . 55.0 t-20 -102.42 133.22 47.71 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 108.445 -0.946 . . . . 72.3 108.445 174.728 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -58.67 -21.37 54.21 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.148 0.499 . . . . 71.21 110.879 -178.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -67.21 -20.03 65.64 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.554 -0.748 . . . . 74.05 110.789 179.634 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.67 35.33 3.3 Favored Glycine 0 N--CA 1.454 -0.107 0 CA-C-N 115.77 -0.65 . . . . 72.2 112.678 178.246 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . -143.63 175.78 23.4 Favored Glycine 0 N--CA 1.446 -0.678 0 N-CA-C 111.236 -0.746 . . . . 70.13 111.236 177.299 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 93' ' ' PHE . . . . . 0.537 ' CD2' HD11 ' B' ' 85' ' ' ILE . 34.7 m-85 -98.19 138.62 35.19 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.666 -0.494 . . . . 73.12 109.666 178.851 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 94' ' ' ALA . . . . . 0.486 ' HB3' ' HE2' ' A' ' 1' ' ' MET . . . -118.49 136.93 53.53 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.869 -0.605 . . . . 62.21 109.501 -176.16 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -103.48 144.18 31.75 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.371 0.605 . . . . 74.21 111.572 -174.131 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 96' ' ' ASP . . . . . 0.442 ' CB ' HD12 ' A' ' 3' ' ' ILE . 30.5 t70 -136.48 110.36 8.19 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 114.667 -1.151 . . . . 73.53 108.642 179.816 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 97' ' ' VAL . . . . . 0.508 ' O ' ' HA ' ' B' ' 134' ' ' VAL . 2.4 p -125.05 123.67 65.97 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.007 0 CA-C-O 121.305 0.574 . . . . 65.34 111.175 -174.19 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 98' ' ' GLU . . . . . 0.407 ' CG ' ' HB3' ' B' ' 82' ' ' GLU . 9.2 pt-20 -108.64 124.78 51.04 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.715 -0.675 . . . . 74.42 109.919 178.318 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 94.0 mt -94.98 107.58 19.62 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.626 -0.715 . . . . 75.14 109.493 178.591 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 100' ' ' ARG . . . . . 0.562 ' HA ' ' O ' ' B' ' 137' ' ' VAL . 80.0 ttt180 -99.53 111.51 23.85 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.072 -0.513 . . . . 70.24 110.036 -176.599 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 101' ' ' VAL . . . . . 0.445 HG21 HG21 ' B' ' 115' ' ' VAL . 96.7 t -103.62 109.44 27.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.045 -0.525 . . . . 60.12 110.902 -173.018 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 102' ' ' ALA . . . . . 0.508 ' HA ' ' HB3' ' B' ' 139' ' ' ALA . . . -107.32 101.14 10.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.037 0.446 . . . . 53.32 110.468 178.482 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 103' ' ' LEU . . . . . 0.533 HD22 ' HG1' ' B' ' 77' ' ' THR . 2.3 mm? -113.6 120.23 39.92 Favored Pre-proline 0 C--N 1.326 -0.452 0 CA-C-N 115.705 -0.679 . . . . 72.24 109.307 177.323 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 104' ' ' PRO . . . . . 0.434 ' HD2' HD13 ' B' ' 103' ' ' LEU . 55.7 Cg_endo -71.47 147.42 52.12 Favored 'Trans proline' 0 N--CA 1.457 -0.627 0 C-N-CA 122.093 1.862 . . . . 74.24 111.817 179.272 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 105' ' ' GLY . . . . . . . . . . . . . . . 67.59 15.22 66.0 Favored Glycine 0 CA--C 1.522 0.521 0 CA-C-N 115.44 -0.8 . . . . 72.34 113.243 -178.459 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 106' ' ' LEU . . . . . 0.426 HD22 ' HB2' ' B' ' 103' ' ' LEU . 28.7 tp -118.71 137.52 53.27 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-O 121.041 0.448 . . . . 65.44 111.037 -178.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -79.05 140.56 37.88 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.475 -0.784 . . . . 63.12 110.682 176.319 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 108' ' ' ALA . . . . . 0.44 ' O ' ' HG3' ' B' ' 112' ' ' LYS . . . -57.49 -37.44 72.95 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.476 -0.329 . . . . 74.55 111.144 178.37 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -57.54 -51.66 68.56 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.099 -0.501 . . . . 64.51 111.001 -179.71 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -69.22 -37.61 78.13 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.16 -0.473 . . . . 72.03 110.32 177.735 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 111' ' ' ALA . . . . . 0.475 ' O ' HG23 ' B' ' 115' ' ' VAL . . . -56.54 -38.95 72.59 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.477 -0.783 . . . . 64.14 110.945 -178.89 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 112' ' ' LYS . . . . . 0.44 ' HG3' ' O ' ' B' ' 108' ' ' ALA . 57.0 mtpt -57.01 -43.35 81.71 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.382 0.61 . . . . 74.45 110.216 178.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 113' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -73.83 -35.15 64.8 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.259 -0.882 . . . . 72.03 110.791 -178.055 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 114' ' ' LEU . . . . . 0.413 HD12 HD21 ' B' ' 106' ' ' LEU . 82.7 mt -65.77 -45.71 81.47 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-O 120.932 0.396 . . . . 72.05 109.964 179.358 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 115' ' ' VAL . . . . . 0.488 HG22 HG12 ' B' ' 138' ' ' VAL . 62.1 t -67.06 -36.79 77.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.997 -0.547 . . . . 63.55 110.037 177.677 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -55.76 -57.69 10.95 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.032 -0.531 . . . . 75.43 110.412 178.255 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 117' ' ' ARG . . . . . . . . . . . . . 10.3 ptm180 -66.99 -39.07 87.05 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.929 -0.578 . . . . 70.2 110.827 -177.067 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 118' ' ' ALA . . . . . 0.428 ' O ' HG22 ' B' ' 121' ' ' VAL . . . -62.81 -31.81 72.88 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.159 0.504 . . . . 61.11 110.766 178.312 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 119' ' ' HIS . . . . . 0.451 ' NE2' HG23 ' B' ' 128' ' ' THR . 44.7 t60 -77.84 5.63 9.19 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 116.015 -0.539 . . . . 74.31 110.652 -179.874 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 62.8 m80 -102.58 -31.73 10.26 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 116.08 -0.509 . . . . 73.32 110.576 174.342 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 121' ' ' VAL . . . . . 0.428 HG22 ' O ' ' B' ' 118' ' ' ALA . 24.7 m -83.1 -10.7 11.94 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.288 0 CA-C-N 116.486 -0.325 . . . . 73.14 111.267 -176.25 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 122' ' ' CYS . . . . . 0.626 ' SG ' HG22 ' B' ' 128' ' ' THR . 18.3 p -65.42 118.68 52.89 Favored Pre-proline 0 CA--C 1.533 0.321 0 N-CA-C 109.875 -0.417 . . . . 74.53 109.875 176.556 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 123' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -53.6 -33.2 67.69 Favored 'Trans proline' 0 C--N 1.353 0.776 0 C-N-CA 123.116 2.544 . . . . 65.25 113.212 -174.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 124' ' ' TYR . . . . . 0.421 ' N ' ' CD2' ' B' ' 124' ' ' TYR . 4.3 m-30 . . . . . 0 CA--C 1.536 0.432 0 CA-C-O 121.663 0.745 . . . . 65.35 109.089 -178.494 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 128' ' ' THR . . . . . 0.626 HG22 ' SG ' ' B' ' 122' ' ' CYS . 1.7 t . . . . . 0 C--O 1.234 0.251 0 CA-C-O 121.288 0.566 . . . . 64.4 109.503 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 129' ' ' ARG . . . . . . . . . . . . . 14.7 ptm180 -150.16 -60.11 0.2 Allowed 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 115.862 -0.608 . . . . 75.21 112.367 178.38 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 130' ' ' ASN . . . . . . . . . . . . . 88.5 m-20 -78.88 -32.76 46.0 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 112.044 0.387 . . . . 74.14 112.044 -169.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 131' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -90.98 -36.8 13.87 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.458 -0.337 . . . . 75.43 110.469 -179.106 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 132' ' ' VAL . . . . . . . . . . . . . 55.1 t -121.02 131.71 72.32 Favored 'Isoleucine or valine' 0 C--O 1.233 0.21 0 N-CA-C 110.087 -0.338 . . . . 62.31 110.087 -174.022 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 133' ' ' ALA . . . . . . . . . . . . . . . -70.9 103.38 2.62 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 116.093 -0.503 . . . . 72.23 110.629 -178.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 134' ' ' VAL . . . . . 0.508 ' HA ' ' O ' ' B' ' 97' ' ' VAL . 31.4 t -114.3 123.83 70.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.756 -0.656 . . . . 64.53 110.729 -179.522 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 12.2 tpt180 -98.84 124.75 43.95 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.638 -0.504 . . . . 74.32 109.638 175.669 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 71.4 mt -90.67 112.91 24.84 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.227 0.537 . . . . 72.41 110.64 178.123 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 137' ' ' VAL . . . . . 0.562 ' O ' ' HA ' ' B' ' 100' ' ' ARG . 0.3 OUTLIER -119.77 113.83 42.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.17 -0.923 . . . . 74.23 110.075 -178.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 138' ' ' VAL . . . . . 0.488 HG12 HG22 ' B' ' 115' ' ' VAL . 4.0 m -103.15 138.67 26.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.623 -0.717 . . . . 70.52 110.151 -177.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 139' ' ' ALA . . . . . 0.508 ' HB3' ' HA ' ' B' ' 102' ' ' ALA . . . . . . . . 0 C--O 1.251 1.134 0 CA-C-O 118.589 -0.72 . . . . 71.35 110.966 -175.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.435 ' SD ' ' HB2' ' B' ' 96' ' ' ASP . 28.7 ptm . . . . . 0 N--CA 1.483 1.187 0 CA-C-O 120.804 0.335 . . . . 71.43 110.408 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . 0.459 ' O ' ' HD2' ' B' ' 87' ' ' PRO . 38.7 t30 -101.91 84.74 2.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.11 -0.495 . . . . 75.52 109.713 178.572 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.498 HG21 ' HB2' ' A' ' 6' ' ' LYS . 26.3 mm -69.01 127.27 30.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.801 -0.636 . . . . 51.02 111.24 178.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.558 ' HG ' ' HD3' ' B' ' 87' ' ' PRO . 85.8 mt -86.17 -41.67 14.49 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.628 -0.715 . . . . 74.21 110.068 175.677 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 41.1 t80 -139.4 131.08 27.34 Favored 'General case' 0 C--O 1.221 -0.442 0 CA-C-N 116.168 -0.469 . . . . 73.42 110.447 -178.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.498 ' HB2' HG21 ' A' ' 3' ' ' ILE . 31.4 ttmt -140.8 137.1 33.08 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.845 0.355 . . . . 62.42 110.676 176.071 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.462 HG23 ' NE2' ' B' ' 48' ' ' GLN . 15.0 t -141.6 143.49 33.71 Favored 'General case' 0 C--O 1.24 0.584 0 CA-C-N 115.868 -0.605 . . . . 73.02 110.383 179.363 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.524 ' HA ' ' HA ' ' B' ' 82' ' ' GLU . . . -110.19 140.51 44.23 Favored 'General case' 0 N--CA 1.466 0.356 0 N-CA-C 112.401 0.519 . . . . 64.34 112.401 -173.116 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.422 ' HA ' ' H ' ' A' ' 22' ' ' HIS . . . -122.1 125.43 46.18 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.624 -0.716 . . . . 73.03 110.458 178.33 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 69.2 m -98.13 123.39 42.16 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.258 -0.428 . . . . 73.43 110.467 178.591 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 10.7 p -121.33 130.91 53.89 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.129 0.49 . . . . 74.42 110.674 177.297 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.5 m -113.41 154.96 26.1 Favored 'General case' 0 C--O 1.242 0.674 0 CA-C-N 116.3 -0.409 . . . . 72.12 110.65 -179.773 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -85.77 74.6 2.4 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 121.149 -0.548 . . . . 62.44 111.779 177.719 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -63.23 -107.72 0.01 OUTLIER Glycine 0 C--N 1.334 0.46 0 C-N-CA 121.482 -0.39 . . . . 62.02 112.42 178.143 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 47.5 mtt180 -85.87 -55.66 3.85 Favored 'General case' 0 C--N 1.329 -0.284 0 O-C-N 122.238 -0.566 . . . . 73.04 109.678 172.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.554 ' HB3' ' HA ' ' A' ' 31' ' ' SER . 20.1 t70 -125.85 -42.76 1.88 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.118 -0.492 . . . . 74.22 110.289 175.801 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -164.49 143.99 9.01 Favored Glycine 0 C--N 1.345 1.03 0 C-N-CA 119.589 -1.291 . . . . 73.12 112.598 165.755 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 3.0 tmt_? -129.55 111.1 12.4 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.013 -0.736 . . . . 73.24 109.013 175.714 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.602 ' HB2' ' HB3' ' B' ' 52' ' ' ALA . . . -113.58 124.17 51.71 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.731 0.3 . . . . 71.12 111.118 -174.049 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 63.4 m -134.55 117.72 16.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 65.23 110.967 -177.684 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.572 ' HB3' ' N ' ' A' ' 26' ' ' LEU . 25.4 t -68.51 106.96 2.74 Favored 'General case' 0 C--O 1.244 0.79 0 N-CA-C 106.509 -1.663 . . . . 62.3 106.509 172.247 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.437 ' C ' ' H ' ' A' ' 24' ' ' GLN . 48.6 t60 -68.11 -11.8 59.74 Favored 'General case' 0 CA--C 1.519 -0.23 0 O-C-N 125.197 1.561 . . . . 71.44 111.159 -165.272 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.496 ' HB3' ' HE2' ' A' ' 25' ' ' LYS . 23.5 t70 -80.23 14.13 2.06 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.025 -0.731 . . . . 73.43 109.025 174.133 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.437 ' H ' ' C ' ' A' ' 22' ' ' HIS . 28.6 mm-40 69.92 25.31 4.95 Favored 'General case' 0 C--N 1.341 0.222 0 CA-C-N 114.853 -1.067 . . . . 72.53 110.787 175.716 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.496 ' HE2' ' HB3' ' A' ' 23' ' ' ASP . 53.9 mtmt -98.5 -19.25 17.75 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.697 -0.683 . . . . 73.44 111.917 -179.421 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.572 ' N ' ' HB3' ' A' ' 21' ' ' SER . 48.5 tp -151.22 145.59 25.49 Favored 'General case' 0 C--O 1.22 -0.468 0 C-N-CA 120.055 -0.658 . . . . 74.42 110.898 178.023 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -156.21 97.39 1.77 Allowed 'General case' 0 C--O 1.234 0.263 0 O-C-N 123.516 0.51 . . . . 74.5 109.917 175.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 3.7 m -144.33 178.11 1.8 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.375 0 CA-C-O 121.566 0.698 . . . . 62.12 112.057 179.581 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 20.1 ttmt -141.67 140.28 33.18 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 114.834 -1.076 . . . . 62.42 109.686 -178.762 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.721 ' HA ' ' H ' ' A' ' 44' ' ' THR . 0.0 OUTLIER -126.09 162.86 24.36 Favored 'General case' 0 C--O 1.257 1.494 0 CA-C-N 116.251 -0.431 . . . . 73.21 110.751 179.546 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.554 ' HA ' ' HB3' ' A' ' 16' ' ' ASP . 52.5 m -157.77 134.17 9.64 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 115.126 -0.943 . . . . 75.34 110.998 -176.488 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.91 125.72 87.23 Favored Pre-proline 0 C--O 1.239 0.526 0 CA-C-N 115.761 -0.654 . . . . 52.21 110.497 175.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.595 ' HG2' HD23 ' A' ' 36' ' ' LEU . 18.7 Cg_endo -59.43 143.27 99.75 Favored 'Trans proline' 0 C--N 1.35 0.617 0 C-N-CA 122.811 2.341 . . . . 73.33 111.761 -179.344 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.443 ' HG2' ' HA3' ' A' ' 40' ' ' GLY . 0.7 OUTLIER -74.92 -9.45 58.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.319 -0.401 . . . . 64.52 110.661 -176.876 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -60.52 -27.55 67.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.06 -0.518 . . . . 75.14 110.519 178.124 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.595 HD23 ' HG2' ' A' ' 33' ' ' PRO . 2.4 mm? -104.92 13.02 31.78 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 116.08 -0.509 . . . . 73.53 110.437 178.759 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 75.08 31.95 57.0 Favored Glycine 0 C--N 1.332 0.345 0 C-N-CA 121.09 -0.576 . . . . 72.22 111.719 -175.488 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -82.09 -130.5 1.32 Allowed Glycine 0 C--N 1.334 0.42 0 C-N-CA 121.486 -0.388 . . . . 73.44 112.878 -178.287 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -95.87 -39.87 9.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.099 0.476 . . . . 63.22 110.344 -174.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.443 ' HA3' ' HG2' ' A' ' 34' ' ' ARG . . . 70.72 90.24 0.09 OUTLIER Glycine 0 N--CA 1.447 -0.624 0 CA-C-N 115.564 -0.744 . . . . 45.53 112.465 -177.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -163.15 153.17 15.76 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.776 -0.454 . . . . 51.12 109.776 -178.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -73.73 76.04 1.56 Allowed 'General case' 0 CA--C 1.533 0.3 0 CA-C-O 121.75 0.786 . . . . 71.23 110.484 179.526 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -132.31 -152.92 7.19 Favored Glycine 0 N--CA 1.453 -0.208 0 CA-C-N 115.134 -0.939 . . . . 55.55 111.764 179.467 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.721 ' H ' ' HA ' ' A' ' 30' ' ' LEU . 83.3 m -117.24 156.83 27.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.627 0.214 . . . . 74.01 110.533 -177.906 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 46.2 m-80 -84.22 119.5 73.3 Favored Pre-proline 0 C--O 1.235 0.309 0 N-CA-C 109.739 -0.467 . . . . 72.33 109.739 173.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -53.58 -44.24 50.75 Favored 'Trans proline' 0 C--N 1.349 0.596 0 C-N-CA 122.82 2.346 . . . . 63.04 112.361 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -65.48 -34.44 78.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.839 -0.619 . . . . 62.13 110.277 -177.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.455 ' HA ' HG13 ' A' ' 83' ' ' VAL . 1.0 OUTLIER -67.49 -35.81 79.86 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.828 -0.624 . . . . 74.41 109.358 175.423 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.5 HD12 ' HA3' ' B' ' 53' ' ' GLY . 3.3 tm? -63.16 -46.55 86.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.42 -0.809 . . . . 71.11 109.722 179.724 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 74.3 t80 -63.51 -46.13 87.5 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 116.57 -0.286 . . . . 65.21 110.884 176.45 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.464 ' HB3' ' HB2' ' A' ' 81' ' ' ALA . . . -55.13 -53.21 58.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.349 -0.387 . . . . 52.03 111.103 -179.861 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.98 -35.87 81.77 Favored 'General case' 0 C--O 1.237 0.435 0 CA-C-N 116.004 -0.544 . . . . 73.32 110.643 -179.011 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -66.66 -40.46 94.0 Favored Glycine 0 N--CA 1.447 -0.586 0 CA-C-N 115.602 -0.726 . . . . 45.35 112.115 178.312 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -70.77 -40.96 72.31 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 110.072 -0.344 . . . . 74.55 110.072 -178.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 17.9 p -64.41 -47.62 78.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.924 0.392 . . . . 73.1 110.326 178.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.456 ' HB2' ' HB1' ' B' ' 19' ' ' ALA . . . -65.57 -39.48 91.71 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 116.118 -0.492 . . . . 72.41 110.846 178.378 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 54.0 t -66.89 -36.37 82.14 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.768 -0.651 . . . . 74.4 110.637 178.56 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 37.6 t80 -71.76 -33.87 69.0 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-O 121.024 0.44 . . . . 74.24 110.027 -178.213 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.417 HD21 HG23 ' A' ' 77' ' ' THR . 1.5 tm? -63.55 -51.81 63.78 Favored 'General case' 0 C--O 1.234 0.28 0 N-CA-C 109.127 -0.694 . . . . 74.12 109.127 177.4 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.417 ' HA ' ' HE3' ' A' ' 63' ' ' LYS . 7.8 p -65.5 -36.06 82.73 Favored 'General case' 0 C--O 1.237 0.424 0 CA-C-N 115.794 -0.639 . . . . 74.4 110.75 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -62.99 -51.51 66.56 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 115.998 -0.547 . . . . 64.15 110.699 177.341 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 52.9 mmm -59.17 -33.02 70.43 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 120.794 0.331 . . . . 61.32 110.823 177.631 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.54 ' HE2' ' HA ' ' B' ' 16' ' ' ASP . 22.1 ttpp -64.17 -43.4 95.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 62.32 110.18 175.397 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 90.8 t80 -63.84 -43.59 95.7 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-O 121.056 0.455 . . . . 70.35 109.978 176.147 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 53.9 t -56.82 -45.37 83.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.894 -0.594 . . . . 51.41 110.145 175.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -61.9 -29.05 69.95 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.774 -0.648 . . . . 55.45 109.875 177.543 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -72.55 -31.74 62.68 Favored Glycine 0 N--CA 1.452 -0.267 0 CA-C-N 115.326 -0.852 . . . . 65.01 112.268 -178.145 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -92.52 -19.56 21.84 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 121.59 0.709 . . . . 73.33 109.156 -179.062 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 17.7 m-80 -93.07 -1.79 56.18 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.054 -0.975 . . . . 73.35 110.449 175.395 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 21.4 mmtm 63.34 20.73 12.43 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 114.919 -1.037 . . . . 70.5 111.22 173.041 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -107.25 169.01 8.83 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.67 -0.695 . . . . 65.11 110.013 -179.39 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 20.6 p -127.56 132.13 49.91 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.047 0.451 . . . . 71.13 110.594 178.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -109.33 139.26 20.89 Favored Pre-proline 0 C--N 1.324 -0.541 0 CA-C-N 115.787 -0.642 . . . . 64.52 109.469 175.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . 0.511 ' O ' HG21 ' A' ' 77' ' ' THR . 52.1 Cg_exo -55.39 118.94 5.75 Favored 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 122.425 2.084 . . . . 75.32 112.213 -178.567 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -71.18 -0.16 9.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.419 0.628 . . . . 74.43 111.212 179.554 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -89.82 10.33 24.03 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.376 -0.829 . . . . 72.44 110.401 178.142 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.511 HG21 ' O ' ' A' ' 74' ' ' PRO . 7.7 t -84.23 152.84 23.97 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 116.016 -0.538 . . . . 74.0 110.773 178.62 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.411 HG22 ' HG1' ' B' ' 12' ' ' THR . 1.4 p -128.14 149.21 50.52 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-O 121.135 0.493 . . . . 72.13 110.908 174.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 72.6 t -124.64 110.5 25.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 115.365 -0.834 . . . . 73.54 108.83 173.795 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' THR . . . . . 0.533 ' HB ' ' HB2' ' A' ' 100' ' ' ARG . 6.9 m -98.06 113.82 25.8 Favored 'General case' 0 C--N 1.314 -0.967 0 CA-C-N 115.164 -0.925 . . . . 61.0 110.708 -173.083 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.464 ' HB2' ' HB3' ' A' ' 51' ' ' ALA . . . -100.21 105.32 16.89 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.172 -0.467 . . . . 75.0 109.932 -179.306 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.608 ' HG2' ' HD3' ' B' ' 6' ' ' LYS . 29.3 tt0 -107.74 107.58 18.42 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.044 -0.725 . . . . 75.53 109.044 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.455 HG13 ' HA ' ' A' ' 48' ' ' GLN . 7.3 p -111.95 137.2 45.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.11 -0.496 . . . . 74.25 111.391 -170.313 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . 0.46 ' HA2' ' HA ' ' B' ' 6' ' ' LYS . . . -137.07 175.73 20.94 Favored Glycine 0 N--CA 1.446 -0.68 0 CA-C-N 116.034 -0.53 . . . . 64.22 112.421 179.164 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -143.77 136.14 23.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 N-CA-C 109.392 -0.595 . . . . 71.32 109.392 -179.709 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -149.07 169.95 29.45 Favored Glycine 0 CA--C 1.519 0.328 0 N-CA-C 111.137 -0.785 . . . . 64.2 111.137 177.481 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . 0.588 ' HD3' ' HG ' ' B' ' 4' ' ' LEU . 71.6 Cg_endo -75.53 140.44 24.06 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.418 2.079 . . . . 75.13 112.013 -178.651 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . 0.498 ' HB2' ' HB3' ' A' ' 94' ' ' ALA . 51.2 t-20 -96.02 137.74 34.66 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.365 -0.605 . . . . 63.43 109.365 179.585 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -65.02 -10.97 33.95 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 121.003 0.43 . . . . 74.31 111.216 -179.047 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -67.4 -19.16 65.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.861 -0.608 . . . . 62.35 110.417 173.766 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.52 35.28 3.35 Favored Glycine 0 N--CA 1.453 -0.173 0 CA-C-N 115.748 -0.66 . . . . 52.42 112.471 -179.654 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -153.89 -141.58 3.28 Favored Glycine 0 N--CA 1.453 -0.233 0 N-CA-C 111.845 -0.502 . . . . 74.12 111.845 178.802 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 61.7 m-85 -107.94 166.96 10.32 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.829 0.347 . . . . 72.25 110.403 178.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . 0.498 ' HB3' ' HB2' ' A' ' 88' ' ' ASN . . . -149.06 121.36 8.41 Favored 'General case' 0 C--O 1.238 0.49 0 N-CA-C 109.517 -0.549 . . . . 73.43 109.517 178.074 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -94.43 130.1 40.92 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.998 -0.546 . . . . 75.45 110.456 179.727 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -117.69 140.0 50.26 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 114.746 -1.116 . . . . 62.1 108.934 -179.417 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.577 HG11 HG12 ' A' ' 134' ' ' VAL . 3.2 p -140.85 110.72 3.24 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.813 0 CA-C-O 121.873 0.844 . . . . 41.42 110.455 173.033 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -91.6 107.2 19.04 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 114.721 -1.127 . . . . 52.25 109.112 -179.284 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 18.5 tp -99.63 111.64 23.96 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.868 -0.606 . . . . 73.33 110.25 -174.061 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . 0.533 ' HB2' ' HB ' ' A' ' 80' ' ' THR . 70.7 mtt85 -98.97 132.11 44.53 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.746 -0.661 . . . . 73.43 109.966 -178.008 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 47.6 t -115.23 102.58 13.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.245 -0.434 . . . . 72.23 110.66 -178.143 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -99.4 100.9 12.02 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.884 -0.413 . . . . 73.1 109.884 177.081 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.611 HD13 ' HB2' ' A' ' 106' ' ' LEU . 2.5 tm? -111.67 115.42 51.38 Favored Pre-proline 0 C--O 1.235 0.333 0 N-CA-C 108.454 -0.943 . . . . 73.31 108.454 179.651 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . 0.496 ' HD2' HD21 ' A' ' 103' ' ' LEU . 37.0 Cg_endo -65.27 144.56 81.21 Favored 'Trans proline' 0 N--CA 1.464 -0.228 0 C-N-CA 122.829 2.353 . . . . 73.52 112.947 -176.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 69.48 14.41 69.38 Favored Glycine 0 CA--C 1.521 0.426 0 CA-C-N 115.319 -0.855 . . . . 54.45 112.911 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.611 ' HB2' HD13 ' A' ' 103' ' ' LEU . 33.1 tp -117.55 136.98 52.88 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-O 120.791 0.329 . . . . 65.03 111.254 -178.445 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -73.32 164.83 26.12 Favored 'General case' 0 CA--C 1.512 -0.489 0 CA-C-N 115.717 -0.674 . . . . 72.42 110.856 -178.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . 0.543 ' O ' ' HG3' ' A' ' 112' ' ' LYS . . . -68.63 -45.81 70.87 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.44 -0.8 . . . . 74.35 109.674 170.541 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -61.58 -45.28 94.77 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 115.538 -0.755 . . . . 64.13 110.761 -176.175 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . 0.471 ' O ' HG22 ' A' ' 113' ' ' THR . . . -71.43 -45.16 63.39 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.719 -0.673 . . . . 73.25 110.052 178.847 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -54.56 -40.91 69.19 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-N 116.078 -0.51 . . . . 54.13 111.686 -178.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . 0.543 ' HG3' ' O ' ' A' ' 108' ' ' ALA . 97.3 mttt -56.73 -39.59 74.22 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 120.583 0.23 . . . . 74.23 111.486 -178.414 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' THR . . . . . 0.471 HG22 ' O ' ' A' ' 110' ' ' ALA . 1.2 t -82.03 -35.86 28.37 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-O 120.709 0.29 . . . . 74.22 110.801 -178.471 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.441 ' HG ' ' O ' ' A' ' 110' ' ' ALA . 45.1 mt -66.38 -44.25 83.64 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-O 121.139 0.495 . . . . 61.01 110.083 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . 0.542 HG22 HG11 ' A' ' 138' ' ' VAL . 55.9 t -61.59 -41.19 89.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.655 -0.702 . . . . 72.22 110.148 176.361 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -57.7 -61.46 2.5 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.802 -0.635 . . . . 65.51 110.585 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . 0.485 ' O ' HG21 ' A' ' 121' ' ' VAL . 12.2 ptm180 -61.27 -44.94 96.41 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.659 -0.701 . . . . 65.24 111.079 -175.882 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -58.1 -51.11 71.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.97 0.414 . . . . 63.41 111.076 -178.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . 0.439 ' CE1' HG12 ' A' ' 115' ' ' VAL . 72.4 m80 -75.28 -12.02 60.19 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 116.275 -0.42 . . . . 74.13 111.449 -176.759 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 12.4 t-160 -94.71 -35.87 11.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.231 -0.44 . . . . 75.14 110.913 -178.584 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . 0.485 HG21 ' O ' ' A' ' 117' ' ' ARG . 21.6 m -91.88 -19.79 6.87 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.338 0 CA-C-N 116.691 -0.231 . . . . 74.54 111.588 -177.708 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 49.7 t -135.13 72.28 67.15 Favored Pre-proline 0 CA--C 1.535 0.373 0 CA-C-O 121.103 0.477 . . . . 72.12 111.237 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 92.4 Cg_endo -97.83 137.72 0.42 Allowed 'Trans proline' 0 N--CA 1.452 -0.941 0 C-N-CA 123.033 2.489 . . . . 75.04 111.679 171.548 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' TYR . . . . . 0.401 ' HE1' ' CG ' ' B' ' 50' ' ' PHE . 12.5 t80 -57.81 -25.13 60.18 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-O 121.65 0.738 . . . . 65.44 109.467 176.529 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' SER . . . . . 0.525 ' O ' HG23 ' A' ' 128' ' ' THR . 47.4 t -162.84 140.39 7.99 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 107.653 -1.24 . . . . 65.33 107.653 173.105 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 64.2 t30 -72.21 -31.82 66.21 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.966 0.889 . . . . 73.42 108.959 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . 0.674 ' O ' ' HB3' ' A' ' 131' ' ' ASN . . . -76.84 6.95 5.28 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 114.563 -1.199 . . . . 54.1 111.568 178.408 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 128' ' ' THR . . . . . 0.525 HG23 ' O ' ' A' ' 125' ' ' SER . 1.6 t -93.42 -10.16 36.11 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 108.656 -0.868 . . . . 73.21 108.656 -179.753 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 6.3 ptp180 -127.25 -42.56 1.68 Allowed 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 115.315 -0.857 . . . . 72.04 111.343 -178.016 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 12.1 m120 -71.9 -25.48 61.94 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.334 -0.394 . . . . 71.52 110.471 176.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 131' ' ' ASN . . . . . 0.674 ' HB3' ' O ' ' A' ' 127' ' ' ALA . 7.5 t30 -103.79 -40.34 6.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.09 -0.505 . . . . 72.12 110.689 -179.712 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . 0.484 ' HB ' ' O ' ' A' ' 128' ' ' THR . 22.8 t -103.59 144.2 14.43 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.206 0 CA-C-N 116.05 -0.523 . . . . 70.22 110.112 -177.111 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -80.25 103.94 10.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.073 0.463 . . . . 45.42 111.48 -175.37 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . 0.577 HG12 HG11 ' A' ' 97' ' ' VAL . 11.0 t -115.08 113.83 44.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.828 -0.624 . . . . 75.02 110.172 174.694 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.48 97.4 10.46 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.402 -0.592 . . . . 74.34 109.402 -179.878 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 53.0 mt -75.13 122.27 23.34 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 121.13 0.491 . . . . 50.04 110.673 178.567 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . 0.459 ' O ' ' HA ' ' A' ' 100' ' ' ARG . 0.1 OUTLIER -133.73 133.73 56.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.448 -0.796 . . . . 74.42 110.052 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . 0.542 HG11 HG22 ' A' ' 115' ' ' VAL . 3.3 m -101.22 139.05 23.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.03 -0.532 . . . . 71.15 110.351 -177.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.314 -0.945 0 CA-C-N 115.744 -0.662 . . . . 73.13 110.898 -177.136 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 1' ' ' MET . . . . . 0.449 ' HE1' ' HB2' ' A' ' 94' ' ' ALA . 28.5 ptm . . . . . 0 C--O 1.235 0.317 0 CA-C-O 120.912 0.387 . . . . 72.42 110.734 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 2' ' ' ASN . . . . . 0.434 ' O ' ' HD2' ' A' ' 87' ' ' PRO . 43.2 t30 -100.36 86.71 3.24 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.791 -0.641 . . . . 61.35 109.579 178.674 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . 0.495 HG21 ' HB2' ' B' ' 6' ' ' LYS . 29.0 mm -65.41 123.84 19.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 115.705 -0.68 . . . . 72.42 111.267 178.688 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . 0.588 ' HG ' ' HD3' ' A' ' 87' ' ' PRO . 91.8 mt -80.71 -43.71 19.86 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.616 -0.72 . . . . 75.25 110.168 176.872 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 5' ' ' TYR . . . . . . . . . . . . . 52.9 t80 -142.25 132.44 24.77 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 116.157 -0.474 . . . . 75.45 110.714 -178.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . 0.608 ' HD3' ' HG2' ' A' ' 82' ' ' GLU . 32.1 ttmt -138.62 145.84 41.0 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.941 0.401 . . . . 65.01 111.019 178.217 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 9.3 t -137.51 161.08 37.33 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.484 -0.78 . . . . 73.02 108.979 176.779 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . 0.452 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . . . -126.09 149.25 49.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.306 0.574 . . . . 64.22 112.031 -173.082 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . 0.539 ' HA ' ' H ' ' B' ' 22' ' ' HIS . . . -140.78 155.96 46.28 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.272 -0.876 . . . . 71.2 108.93 175.509 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 10' ' ' THR . . . . . 0.524 ' HA ' ' HA ' ' A' ' 80' ' ' THR . 9.0 t -138.68 128.43 24.98 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 108.65 -0.871 . . . . 64.31 108.65 -178.029 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 50.6 m -119.09 113.72 21.37 Favored 'General case' 0 C--N 1.314 -0.967 0 CA-C-N 115.892 -0.595 . . . . 74.14 111.001 -173.634 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 12' ' ' THR . . . . . 0.426 ' HB ' ' HE ' ' B' ' 18' ' ' ARG . 3.5 m -95.84 157.7 15.78 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 116.03 -0.532 . . . . 73.24 110.546 -179.495 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -92.24 74.15 1.44 Allowed Glycine 0 N--CA 1.448 -0.543 0 N-CA-C 111.425 -0.67 . . . . 71.12 111.425 174.152 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -58.02 -99.44 0.01 OUTLIER Glycine 0 C--N 1.339 0.745 0 C-N-CA 121.03 -0.605 . . . . 73.4 112.548 179.459 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 16.1 tpp180 -88.8 -55.1 3.84 Favored 'General case' 0 C--N 1.329 -0.313 0 O-C-N 122.49 -0.418 . . . . 65.14 109.941 174.207 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 16' ' ' ASP . . . . . 0.54 ' HA ' ' HE2' ' A' ' 63' ' ' LYS . 12.8 t70 -125.56 -42.8 1.92 Allowed 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.72 -0.474 . . . . 65.33 109.72 177.816 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -164.86 154.86 25.92 Favored Glycine 0 C--N 1.337 0.61 0 C-N-CA 120.294 -0.955 . . . . 74.22 111.952 164.401 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 18' ' ' ARG . . . . . 0.481 ' HA ' ' HA ' ' B' ' 29' ' ' LYS . 14.8 ttp180 -137.73 148.18 45.39 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.94 -0.393 . . . . 74.4 109.94 176.195 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 19' ' ' ALA . . . . . 0.456 ' HB1' ' HB2' ' A' ' 56' ' ' ALA . . . -137.7 123.93 20.5 Favored 'General case' 0 C--O 1.236 0.364 0 N-CA-C 109.968 -0.382 . . . . 64.31 109.968 178.789 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 23.3 m -131.3 114.66 15.3 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.461 -0.336 . . . . 75.11 110.927 -175.177 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 21' ' ' SER . . . . . 0.513 ' HB3' ' N ' ' B' ' 26' ' ' LEU . 36.7 t -68.92 110.72 4.55 Favored 'General case' 0 C--O 1.248 1.017 0 N-CA-C 107.537 -1.283 . . . . 74.21 107.537 175.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 22' ' ' HIS . . . . . 0.539 ' H ' ' HA ' ' B' ' 9' ' ' ALA . 37.9 t60 -51.09 -28.34 10.35 Favored 'General case' 0 N--CA 1.467 0.418 0 O-C-N 125.926 2.016 . . . . 73.12 112.453 -167.521 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -80.51 23.91 0.49 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.225 0.536 . . . . 63.54 110.089 -176.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 24' ' ' GLN . . . . . 0.441 ' H ' ' C ' ' B' ' 22' ' ' HIS . 27.8 mm-40 62.33 21.27 12.42 Favored 'General case' 0 C--N 1.341 0.237 0 CA-C-N 115.339 -0.846 . . . . 71.43 110.202 178.466 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . 0.433 ' HA ' ' HD3' ' B' ' 25' ' ' LYS . 29.7 mmtp -93.52 -20.53 20.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.242 -0.89 . . . . 41.25 111.658 -177.415 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . 0.513 ' N ' ' HB3' ' B' ' 21' ' ' SER . 58.1 tp -148.38 145.11 27.92 Favored 'General case' 0 C--O 1.221 -0.401 0 C-N-CA 119.806 -0.758 . . . . 73.34 110.838 175.877 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -156.17 91.83 1.29 Allowed 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.076 -0.713 . . . . 53.33 109.076 174.638 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 4.9 m -132.88 175.43 11.42 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.315 0 CA-C-N 116.004 -0.543 . . . . 74.12 111.28 -178.127 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . 0.481 ' HA ' ' HA ' ' B' ' 18' ' ' ARG . 15.1 tttm -143.25 138.91 29.96 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.754 -0.657 . . . . 74.12 110.782 -174.507 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . 0.687 ' HA ' ' H ' ' B' ' 44' ' ' THR . 0.0 OUTLIER -124.93 166.84 15.58 Favored 'General case' 0 C--O 1.254 1.313 0 CA-C-O 121.17 0.51 . . . . 72.32 110.988 179.478 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 31' ' ' SER . . . . . 0.516 ' HA ' ' HB3' ' B' ' 16' ' ' ASP . 46.4 m -155.41 123.79 5.92 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 115.158 -0.928 . . . . 62.35 110.707 -175.263 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.44 118.28 35.64 Favored Pre-proline 0 C--O 1.239 0.547 0 CA-C-N 116.02 -0.537 . . . . 75.13 110.409 177.273 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 33' ' ' PRO . . . . . . . . . . . . . 82.1 Cg_exo -49.14 128.85 20.62 Favored 'Trans proline' 0 C--N 1.351 0.674 0 C-N-CA 122.784 2.322 . . . . 72.21 111.543 177.82 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 51.3 ttt180 -64.07 -12.45 39.08 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.369 -0.378 . . . . 71.43 111.207 -173.185 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 43.9 mm-40 -47.98 -39.8 20.57 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 121.443 0.64 . . . . 72.42 110.845 174.824 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 24.1 mt -97.98 11.04 38.82 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 114.977 -1.01 . . . . 63.52 111.108 -171.155 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 88.3 58.19 1.79 Allowed Glycine 0 N--CA 1.452 -0.277 0 CA-C-N 115.91 -0.587 . . . . 51.22 111.68 -177.077 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -130.68 -136.44 3.97 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 121.177 -0.535 . . . . 64.12 111.999 -177.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -111.65 -24.23 10.2 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.676 0.274 . . . . 71.25 111.475 -176.802 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 55.58 29.19 53.4 Favored Glycine 0 CA--C 1.522 0.515 0 C-N-CA 121.365 -0.445 . . . . 53.13 113.164 -175.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -74.44 171.85 13.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.856 0.36 . . . . 75.21 111.169 -178.776 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -72.49 82.29 1.08 Allowed 'General case' 0 C--O 1.235 0.309 0 CA-C-O 121.908 0.861 . . . . 74.14 110.272 177.386 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -145.4 -170.98 14.67 Favored Glycine 0 C--N 1.316 -0.546 0 CA-C-N 114.953 -1.021 . . . . 72.12 111.226 175.736 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 44' ' ' THR . . . . . 0.687 ' H ' ' HA ' ' B' ' 30' ' ' LEU . 15.3 t -114.29 -179.1 3.53 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.865 -0.42 . . . . 70.51 109.865 178.564 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 45' ' ' ASN . . . . . 0.479 ' HB3' ' OE1' ' B' ' 47' ' ' GLU . 5.0 m120 -94.96 135.94 23.2 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 71.14 110.99 -177.211 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 46' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_endo -68.6 -44.93 2.71 Favored 'Trans proline' 0 C--N 1.348 0.551 0 C-N-CA 122.627 2.218 . . . . 54.41 112.345 179.764 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 47' ' ' GLU . . . . . 0.479 ' OE1' ' HB3' ' B' ' 45' ' ' ASN . 0.5 OUTLIER -72.06 -30.22 64.93 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-O 121.058 0.456 . . . . 73.03 109.9 -178.352 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . 0.656 ' HA ' HE21 ' B' ' 48' ' ' GLN . 0.0 OUTLIER -66.37 -40.73 89.94 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 115.939 -0.573 . . . . 65.22 110.046 172.534 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -59.06 -47.92 83.48 Favored 'General case' 0 C--O 1.238 0.467 0 CA-C-N 115.592 -0.731 . . . . 73.15 109.206 177.726 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 50' ' ' PHE . . . . . 0.401 ' CG ' ' HE1' ' A' ' 124' ' ' TYR . 78.5 t80 -59.73 -45.32 92.54 Favored 'General case' 0 C--O 1.226 -0.141 0 CA-C-N 115.832 -0.622 . . . . 74.53 110.556 175.583 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -53.28 -52.87 57.68 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.171 -0.468 . . . . 63.22 111.003 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 52' ' ' ALA . . . . . 0.602 ' HB3' ' HB2' ' A' ' 19' ' ' ALA . . . -59.84 -50.37 74.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.716 -0.674 . . . . 74.31 111.088 179.688 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . 0.5 ' HA3' HD12 ' A' ' 49' ' ' LEU . . . -62.63 -39.44 97.9 Favored Glycine 0 C--N 1.332 0.326 0 C-N-CA 121.119 -0.562 . . . . 73.22 112.705 -178.449 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -70.25 -48.17 58.08 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 122.965 0.506 . . . . 73.43 110.562 -178.427 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 57.3 p -61.98 -41.02 97.56 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.794 0.331 . . . . 71.55 110.228 -179.381 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 56' ' ' ALA . . . . . 0.403 ' HB1' ' HB1' ' A' ' 19' ' ' ALA . . . -65.05 -45.12 86.67 Favored 'General case' 0 CA--C 1.528 0.1 0 CA-C-N 116.16 -0.473 . . . . 72.32 110.272 175.346 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 57' ' ' CYS . . . . . . . . . . . . . 53.7 t -57.97 -36.56 72.77 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.989 -0.551 . . . . 72.4 110.187 177.611 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 19.9 t80 -64.17 -32.8 74.51 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 116.135 -0.484 . . . . 61.11 109.821 -179.668 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . 0.413 HD22 HG22 ' B' ' 79' ' ' VAL . 95.2 mt -69.0 -45.92 69.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.736 -0.665 . . . . 73.31 109.997 175.749 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 16.2 m -60.56 -35.33 75.78 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 116.029 -0.532 . . . . 73.23 110.416 176.665 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.44 -45.91 81.98 Favored 'General case' 0 C--N 1.333 -0.114 0 CA-C-N 115.981 -0.554 . . . . 44.1 110.14 176.768 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 62' ' ' MET . . . . . 0.891 ' HE1' ' HB2' ' B' ' 73' ' ' LEU . 0.0 OUTLIER -53.15 -53.17 54.37 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 121.716 0.769 . . . . 71.0 110.188 174.212 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . 0.598 ' N ' ' SD ' ' B' ' 62' ' ' MET . 27.3 tptp -52.83 -51.91 59.07 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 114.315 -1.312 . . . . 72.03 111.452 178.79 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 73.0 t80 -62.65 -43.33 99.09 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-O 120.81 0.338 . . . . 73.11 110.126 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 2.6 t -50.73 -54.1 10.99 Favored 'Isoleucine or valine' 0 C--O 1.234 0.286 0 CA-C-N 115.73 -0.668 . . . . 75.05 110.464 175.812 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 66' ' ' ALA . . . . . 0.543 ' HA ' ' HG3' ' B' ' 71' ' ' GLN . . . -62.39 -32.71 73.57 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.595 -0.729 . . . . 74.13 109.772 -178.56 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -70.91 -27.84 71.59 Favored Glycine 0 N--CA 1.448 -0.52 0 CA-C-N 114.891 -1.05 . . . . 75.04 112.646 -178.2 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 68' ' ' GLN . . . . . 0.407 HE21 ' HB2' ' B' ' 68' ' ' GLN . 2.2 pt20 -96.26 -22.89 16.96 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-O 121.189 0.518 . . . . 64.5 109.812 -177.856 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 69' ' ' ASN . . . . . 0.436 ' CB ' ' HG2' ' B' ' 71' ' ' GLN . 25.5 m-80 -94.41 3.48 55.12 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.426 -0.806 . . . . 65.21 111.245 -179.374 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 8.1 mptt 59.78 29.0 18.56 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-O 121.284 0.564 . . . . 73.12 110.821 176.192 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . 0.543 ' HG3' ' HA ' ' B' ' 66' ' ' ALA . 2.6 pt20 -124.13 169.88 11.26 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.652 -0.703 . . . . 74.24 110.385 -174.851 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 14.6 p -128.25 128.22 44.27 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.382 -0.372 . . . . 74.12 110.854 176.095 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 73' ' ' LEU . . . . . 0.891 ' HB2' ' HE1' ' B' ' 62' ' ' MET . 35.8 mt -102.59 155.11 36.94 Favored Pre-proline 0 C--N 1.328 -0.364 0 N-CA-C 108.833 -0.803 . . . . 75.15 108.833 177.396 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 74' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_exo -55.66 105.74 0.17 Allowed 'Trans proline' 0 C--N 1.348 0.541 0 C-N-CA 122.391 2.061 . . . . 74.32 112.347 -177.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -77.01 -5.4 48.58 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.336 -0.393 . . . . 71.53 111.896 -177.148 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -87.52 14.54 8.04 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-O 121.752 0.787 . . . . 60.22 110.291 -178.308 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 77' ' ' THR . . . . . 0.477 ' HB ' HD11 ' B' ' 103' ' ' LEU . 4.2 t -78.71 169.56 18.04 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.29 -0.868 . . . . 73.25 112.027 -177.016 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 23.3 m -150.4 149.24 29.78 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-N 115.622 -0.717 . . . . 71.23 109.36 177.088 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 79' ' ' VAL . . . . . 0.413 HG22 HD22 ' B' ' 59' ' ' LEU . 93.6 t -124.83 147.26 29.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 N-CA-C 109.66 -0.496 . . . . 54.24 109.66 179.665 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 31.5 m -132.02 111.73 11.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.864 0.364 . . . . 75.2 110.3 173.624 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -95.21 104.61 16.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.899 -0.591 . . . . 73.43 110.262 179.486 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 82' ' ' GLU . . . . . 0.524 ' HA ' ' HA ' ' A' ' 8' ' ' ALA . 34.0 tt0 -103.52 109.59 21.3 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.862 -0.422 . . . . 71.23 109.862 -179.658 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . 0.42 HG22 ' HG2' ' B' ' 47' ' ' GLU . 18.6 m -104.55 143.19 16.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.866 0.365 . . . . 71.44 111.038 -175.684 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 84' ' ' GLY . . . . . . . . . . . . . . . -140.52 161.67 26.57 Favored Glycine 0 N--CA 1.441 -1.03 0 N-CA-C 111.524 -0.63 . . . . 52.45 111.524 178.07 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -140.64 132.01 29.81 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.84 0 N-CA-C 109.625 -0.509 . . . . 73.1 109.625 -177.663 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -144.03 169.84 26.08 Favored Glycine 0 CA--C 1.518 0.24 0 N-CA-C 110.948 -0.861 . . . . 52.3 110.948 178.723 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 87' ' ' PRO . . . . . 0.558 ' HD3' ' HG ' ' A' ' 4' ' ' LEU . 73.3 Cg_endo -75.11 138.87 23.33 Favored 'Trans proline' 0 C--O 1.234 0.3 0 C-N-CA 122.18 1.92 . . . . 70.05 112.211 -177.888 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 88' ' ' ASN . . . . . . . . . . . . . 53.7 t-20 -94.46 137.52 33.49 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.022 -0.732 . . . . 72.3 109.022 178.383 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -66.25 -12.59 57.21 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 121.149 0.499 . . . . 71.21 110.867 -177.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -67.44 -19.88 65.43 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-O 121.659 0.742 . . . . 74.05 110.235 173.129 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.43 35.12 3.42 Favored Glycine 0 N--CA 1.452 -0.24 0 CA-C-N 115.144 -0.934 . . . . 72.2 112.283 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . -145.93 -140.59 3.52 Favored Glycine 0 N--CA 1.451 -0.308 0 N-CA-C 111.091 -0.804 . . . . 70.13 111.091 177.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 93' ' ' PHE . . . . . . . . . . . . . 27.3 m-85 -117.17 166.89 11.71 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.933 -0.395 . . . . 73.12 109.933 175.417 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -145.72 130.8 18.34 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.639 -0.71 . . . . 62.21 109.503 -178.802 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -99.91 127.06 46.13 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-O 121.095 0.474 . . . . 74.21 111.066 -175.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 96' ' ' ASP . . . . . 0.435 ' HB2' ' SD ' ' A' ' 1' ' ' MET . 32.5 t70 -114.69 110.27 19.49 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.174 -0.921 . . . . 73.53 109.021 177.109 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 97' ' ' VAL . . . . . 0.518 ' O ' ' HA ' ' B' ' 134' ' ' VAL . 0.2 OUTLIER -121.3 119.19 58.43 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.956 0 CA-C-O 121.407 0.622 . . . . 65.34 110.574 -176.681 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 98' ' ' GLU . . . . . 0.49 ' HG2' HG12 ' B' ' 137' ' ' VAL . 34.2 tt0 -107.15 118.76 37.57 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.192 -0.913 . . . . 74.42 109.818 -174.896 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 77.1 mt -103.88 112.1 24.92 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 120.647 0.261 . . . . 75.14 110.387 -177.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 100' ' ' ARG . . . . . 0.521 ' HA ' ' O ' ' B' ' 137' ' ' VAL . 70.3 mtt180 -99.54 120.48 39.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.135 -0.484 . . . . 70.24 110.717 -177.332 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 101' ' ' VAL . . . . . . . . . . . . . 94.8 t -109.72 103.37 15.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.955 -0.566 . . . . 60.12 110.922 -176.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 102' ' ' ALA . . . . . 0.518 ' HA ' ' HB1' ' B' ' 139' ' ' ALA . . . -92.51 101.17 13.61 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.735 -0.839 . . . . 53.32 108.735 172.867 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 103' ' ' LEU . . . . . 0.512 HD11 ' HD2' ' B' ' 104' ' ' PRO . 17.1 tp -120.19 107.86 38.95 Favored Pre-proline 0 C--N 1.33 -0.271 0 N-CA-C 109.182 -0.673 . . . . 72.24 109.182 -173.505 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 104' ' ' PRO . . . . . 0.512 ' HD2' HD11 ' B' ' 103' ' ' LEU . 80.9 Cg_endo -73.59 156.67 49.33 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 123.201 2.601 . . . . 74.24 113.109 -171.823 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 105' ' ' GLY . . . . . . . . . . . . . . . 71.74 15.67 75.87 Favored Glycine 0 C--N 1.334 0.434 0 CA-C-N 115.951 -0.568 . . . . 72.34 112.326 179.398 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 106' ' ' LEU . . . . . 0.499 HD23 ' HA ' ' B' ' 111' ' ' ALA . 23.9 tp -138.16 141.12 40.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.688 0.28 . . . . 65.44 111.195 -172.626 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -76.63 147.14 37.73 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 115.913 -0.585 . . . . 63.12 110.207 174.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -64.35 -36.3 83.69 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.824 0.345 . . . . 74.55 110.932 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -59.02 -51.64 69.18 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 116.132 -0.485 . . . . 64.51 110.779 179.799 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 110' ' ' ALA . . . . . 0.463 ' O ' HG22 ' B' ' 113' ' ' THR . . . -68.98 -37.5 78.8 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-O 121.12 0.486 . . . . 72.03 110.309 177.373 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 111' ' ' ALA . . . . . 0.499 ' HA ' HD23 ' B' ' 106' ' ' LEU . . . -55.53 -36.15 66.43 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.745 -0.661 . . . . 64.14 110.689 179.084 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 112' ' ' LYS . . . . . . . . . . . . . 50.6 mttm -54.45 -49.26 70.46 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.2 -0.454 . . . . 74.45 110.893 176.352 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 113' ' ' THR . . . . . 0.463 HG22 ' O ' ' B' ' 110' ' ' ALA . 1.1 t -74.87 -33.84 62.14 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 121.105 -0.238 . . . . 72.03 110.766 -175.614 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 46.0 mt -67.11 -48.74 67.21 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 116.581 -0.281 . . . . 72.05 110.368 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 115' ' ' VAL . . . . . 0.523 ' O ' ' HB2' ' B' ' 119' ' ' HIS . 86.4 t -65.26 -34.51 70.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.198 -0.455 . . . . 63.55 109.94 176.671 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -62.22 -53.63 52.41 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 116.385 -0.37 . . . . 75.43 111.269 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 117' ' ' ARG . . . . . 0.448 ' HG2' ' O ' ' B' ' 113' ' ' THR . 5.2 ptm180 -68.36 -38.2 81.18 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 116.13 -0.486 . . . . 70.2 110.267 -177.372 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -61.12 -39.66 90.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.338 0.589 . . . . 61.11 109.522 174.6 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 119' ' ' HIS . . . . . 0.523 ' HB2' ' O ' ' B' ' 115' ' ' VAL . 2.8 t-80 -78.69 10.88 2.89 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 115.241 -0.89 . . . . 74.31 110.574 178.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 15.8 m170 -108.56 -40.32 5.14 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-O 120.684 0.278 . . . . 73.32 110.433 173.243 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 35.0 m -84.54 -37.56 12.78 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.292 0 N-CA-C 112.023 0.379 . . . . 73.14 112.023 -175.193 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 122' ' ' CYS . . . . . . . . . . . . . 81.9 m -65.49 143.24 98.62 Favored Pre-proline 0 CA--C 1.534 0.361 0 CA-C-N 116.703 -0.226 . . . . 74.53 111.514 -174.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 123' ' ' PRO . . . . . 0.404 ' O ' ' HB2' ' B' ' 124' ' ' TYR . 38.6 Cg_endo -65.51 166.51 19.46 Favored 'Trans proline' 0 C--N 1.354 0.851 0 C-N-CA 122.671 2.247 . . . . 65.25 111.179 176.755 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 124' ' ' TYR . . . . . 0.404 ' HB2' ' O ' ' B' ' 123' ' ' PRO . 85.3 m-85 . . . . . 0 N--CA 1.474 0.77 0 C-N-CA 123.163 0.585 . . . . 65.35 110.747 -175.487 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 128' ' ' THR . . . . . 0.532 HG22 HG21 ' B' ' 134' ' ' VAL . 1.4 t . . . . . 0 N--CA 1.452 -0.336 0 CA-C-O 120.683 0.278 . . . . 64.4 110.37 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 129' ' ' ARG . . . . . . . . . . . . . 15.6 ptm180 -109.85 -41.72 4.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.76 0.314 . . . . 75.21 110.329 -177.392 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 130' ' ' ASN . . . . . . . . . . . . . 43.5 m-80 -78.48 -46.79 18.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.186 0.517 . . . . 74.14 109.981 176.457 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 131' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -82.83 -43.94 16.07 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 115.546 -0.752 . . . . 75.43 110.61 -176.656 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 132' ' ' VAL . . . . . 0.457 HG12 ' N ' ' B' ' 133' ' ' ALA . 21.3 t -112.08 167.93 5.27 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.459 0 CA-C-N 116.307 -0.406 . . . . 62.31 110.112 -174.186 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 133' ' ' ALA . . . . . 0.457 ' N ' HG12 ' B' ' 132' ' ' VAL . . . -98.44 88.98 4.27 Favored 'General case' 0 C--O 1.243 0.715 0 CA-C-O 121.533 0.682 . . . . 72.23 112.043 -176.805 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 134' ' ' VAL . . . . . 0.532 HG21 HG22 ' B' ' 128' ' ' THR . 86.8 t -103.03 126.85 57.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.062 -0.972 . . . . 64.53 110.613 173.252 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 26.3 ttp-105 -101.39 110.75 22.81 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.804 -0.635 . . . . 74.32 109.561 176.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 136' ' ' LEU . . . . . 0.458 HD13 ' CG ' ' B' ' 119' ' ' HIS . 64.0 mt -80.47 117.36 21.13 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 121.291 0.567 . . . . 72.41 110.631 179.816 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 137' ' ' VAL . . . . . 0.521 ' O ' ' HA ' ' B' ' 100' ' ' ARG . 0.1 OUTLIER -121.88 115.52 46.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.296 -0.866 . . . . 74.23 109.592 179.863 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 138' ' ' VAL . . . . . . . . . . . . . 11.4 m -97.79 138.83 21.46 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-N 115.72 -0.673 . . . . 70.52 109.857 -178.054 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 139' ' ' ALA . . . . . 0.518 ' HB1' ' HA ' ' B' ' 102' ' ' ALA . . . . . . . . 0 C--N 1.309 -1.158 0 CA-C-O 118.325 -0.845 . . . . 71.35 110.256 -173.018 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.5 ptt? . . . . . 0 N--CA 1.484 1.246 0 CA-C-O 120.478 0.18 . . . . 71.43 110.681 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 50.9 t30 -77.68 71.39 4.16 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 121.249 0.547 . . . . 75.52 110.744 -179.014 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.491 HG21 ' HB2' ' A' ' 6' ' ' LYS . 34.2 mm -59.54 119.8 4.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 115.762 -0.654 . . . . 51.02 111.218 174.533 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.598 ' HG ' ' HD3' ' B' ' 87' ' ' PRO . 93.0 mt -78.79 -45.22 21.48 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.329 -0.851 . . . . 74.21 110.239 177.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 27.7 t80 -137.37 133.82 35.26 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.139 -0.482 . . . . 73.42 109.83 -179.561 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.491 ' HB2' HG21 ' A' ' 3' ' ' ILE . 36.4 ttmt -136.91 144.63 43.57 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.15 -0.477 . . . . 62.42 110.724 178.767 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 9.3 t -145.35 145.14 31.08 Favored 'General case' 0 C--O 1.237 0.422 0 N-CA-C 109.209 -0.663 . . . . 73.02 109.209 177.434 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -120.58 136.27 54.85 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-O 121.122 0.487 . . . . 64.34 111.178 -174.585 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -127.93 129.41 46.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.982 -0.554 . . . . 73.03 110.394 179.329 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 7.9 t -96.1 121.38 37.81 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.169 0.509 . . . . 73.43 109.643 179.36 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.685 ' HG ' ' HB ' ' B' ' 79' ' ' VAL . 33.0 p -112.3 115.2 28.38 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.02 -0.536 . . . . 74.42 110.728 -179.317 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.9 m -88.29 166.95 13.95 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.622 -0.511 . . . . 72.12 109.622 176.713 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -80.62 8.34 55.22 Favored Glycine 0 CA--C 1.522 0.522 0 C-N-CA 120.807 -0.711 . . . . 62.44 113.171 179.058 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 33.23 -133.32 0.27 Allowed Glycine 0 C--N 1.344 1.006 0 O-C-N 123.576 0.221 . . . . 62.02 112.717 -174.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 29.2 ttm180 -88.93 -34.49 16.9 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 108.098 -1.075 . . . . 73.04 108.098 162.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.443 ' HB3' ' HA ' ' A' ' 31' ' ' SER . 40.6 t0 -125.9 -42.44 1.9 Allowed 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 115.474 -0.784 . . . . 74.22 109.726 170.641 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -164.3 162.62 35.48 Favored Glycine 0 C--N 1.344 1.009 0 C-N-CA 120.129 -1.034 . . . . 73.12 112.338 169.012 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.664 ' HA ' ' HA ' ' A' ' 29' ' ' LYS . 57.5 ttp180 -149.38 144.51 26.44 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.482 -0.562 . . . . 73.24 109.482 175.771 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.68 ' HB2' ' HB2' ' B' ' 52' ' ' ALA . . . -134.66 123.57 23.95 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 110.167 -0.308 . . . . 71.12 110.167 179.337 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 47.1 m -135.93 112.46 9.99 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.177 -0.465 . . . . 65.23 110.163 -178.559 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.545 ' HB3' ' N ' ' A' ' 26' ' ' LEU . 23.3 t -70.44 107.24 3.73 Favored 'General case' 0 C--O 1.242 0.663 0 N-CA-C 106.793 -1.558 . . . . 62.3 106.793 176.008 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.41 ' C ' ' H ' ' A' ' 24' ' ' GLN . 80.0 t60 -55.95 -29.08 59.62 Favored 'General case' 0 N--CA 1.472 0.659 0 O-C-N 125.756 1.91 . . . . 71.44 112.772 -164.442 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -80.39 17.82 1.01 Allowed 'General case' 0 C--N 1.317 -0.837 0 CA-C-O 121.375 0.607 . . . . 73.43 110.221 178.889 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.41 ' H ' ' C ' ' A' ' 22' ' ' HIS . 25.0 mm-40 72.08 23.75 3.36 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 114.495 -1.229 . . . . 72.53 110.488 172.653 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.623 ' HB2' ' HZ1' ' A' ' 25' ' ' LYS . 7.8 mtmp? -86.96 -16.59 35.38 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-N 115.662 -0.699 . . . . 73.44 111.499 175.512 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.545 ' N ' ' HB3' ' A' ' 21' ' ' SER . 42.8 tp -157.44 146.61 19.93 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 119.906 -0.718 . . . . 74.42 111.556 177.617 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -156.54 98.17 1.79 Allowed 'General case' 0 N--CA 1.465 0.298 0 O-C-N 123.61 0.569 . . . . 74.5 110.627 173.271 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.435 ' O ' ' HG3' ' A' ' 18' ' ' ARG . 2.7 m -147.52 174.6 1.78 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.265 0 CA-C-O 121.027 0.441 . . . . 62.12 110.801 174.684 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.664 ' HA ' ' HA ' ' A' ' 18' ' ' ARG . 0.6 OUTLIER -137.9 144.72 41.45 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.76 -0.655 . . . . 62.42 110.077 -179.39 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.546 ' HB2' ' O ' ' A' ' 44' ' ' THR . 0.0 OUTLIER -131.4 173.7 10.82 Favored 'General case' 0 C--O 1.255 1.348 0 CA-C-O 121.646 0.736 . . . . 73.21 112.216 -175.755 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.443 ' HA ' ' HB3' ' A' ' 16' ' ' ASP . 35.7 t -162.96 138.14 6.69 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 114.296 -1.32 . . . . 75.34 109.706 -177.716 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.58 149.28 95.72 Favored Pre-proline 0 C--N 1.327 -0.41 0 CA-C-N 116.085 -0.507 . . . . 52.21 110.405 177.12 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.572 ' HD3' ' HB2' ' A' ' 45' ' ' ASN . 21.1 Cg_endo -60.89 116.3 3.27 Favored 'Trans proline' 0 C--N 1.348 0.547 0 C-N-CA 122.298 1.998 . . . . 73.33 111.61 -176.337 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.419 ' HG2' ' N ' ' A' ' 40' ' ' GLY . 0.0 OUTLIER -58.09 -20.65 41.39 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 116.43 -0.35 . . . . 64.52 110.333 -179.669 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 26.3 mm-40 -46.42 -47.68 18.95 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.651 -0.704 . . . . 75.14 110.847 174.728 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 7.7 mp -103.88 24.43 11.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.503 -0.771 . . . . 73.53 110.545 -177.063 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 79.18 32.0 40.62 Favored Glycine 0 C--N 1.333 0.382 0 CA-C-N 115.984 -0.553 . . . . 72.22 112.924 178.173 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -53.73 -70.59 0.89 Allowed Glycine 0 CA--C 1.523 0.554 0 C-N-CA 121.53 -0.366 . . . . 73.44 113.542 -179.612 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.459 ' HB2' ' HE3' ' B' ' 63' ' ' LYS . . . -167.69 -61.1 0.03 OUTLIER 'General case' 0 C--O 1.232 0.158 0 CA-C-O 120.876 0.369 . . . . 63.22 111.207 178.543 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.419 ' N ' ' HG2' ' A' ' 34' ' ' ARG . . . 126.32 57.69 0.15 Allowed Glycine 0 N--CA 1.458 0.11 0 C-N-CA 121.046 -0.597 . . . . 45.53 112.462 -175.097 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -149.75 140.37 22.56 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 110.107 -0.331 . . . . 51.12 110.107 177.375 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -73.23 88.18 1.49 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.761 0.791 . . . . 71.23 109.688 176.546 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -139.56 -167.81 11.09 Favored Glycine 0 C--N 1.315 -0.631 0 CA-C-N 115.5 -0.773 . . . . 55.55 111.928 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.546 ' O ' ' HB2' ' A' ' 30' ' ' LEU . 53.6 m -92.83 135.63 33.96 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.61 -0.515 . . . . 74.01 109.61 179.405 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.572 ' HB2' ' HD3' ' A' ' 33' ' ' PRO . 7.4 p-10 -79.02 129.25 73.68 Favored Pre-proline 0 C--O 1.237 0.419 0 N-CA-C 109.215 -0.661 . . . . 72.33 109.215 177.181 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 77.2 Cg_exo -49.44 -36.58 39.51 Favored 'Trans proline' 0 C--N 1.349 0.591 0 C-N-CA 123.214 2.609 . . . . 63.04 112.913 -174.324 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.449 ' CD ' ' H ' ' A' ' 47' ' ' GLU . 4.6 mp0 -56.84 -48.62 77.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.735 -0.666 . . . . 62.13 109.919 -179.736 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.514 ' OE1' ' HB2' ' B' ' 21' ' ' SER . 1.0 OUTLIER -67.96 -41.46 82.41 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.858 -0.61 . . . . 74.41 110.194 -178.956 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -54.88 -48.85 72.44 Favored 'General case' 0 C--O 1.238 0.479 0 CA-C-N 115.973 -0.558 . . . . 71.11 109.533 -178.356 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.478 ' CG ' ' HE1' ' B' ' 124' ' ' TYR . 73.1 t80 -67.87 -43.54 79.18 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.638 -0.71 . . . . 65.21 111.022 179.31 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -51.17 -53.6 33.16 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.813 0.339 . . . . 52.03 111.023 176.108 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.505 ' HB1' ' HB3' ' B' ' 19' ' ' ALA . . . -61.66 -50.11 73.81 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-N 115.908 -0.587 . . . . 73.32 111.132 -178.712 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.485 ' O ' ' SG ' ' A' ' 57' ' ' CYS . . . -58.44 -56.19 26.61 Favored Glycine 0 C--O 1.226 -0.364 0 CA-C-N 115.656 -0.702 . . . . 45.35 111.973 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 7.0 t80 -60.91 -37.04 80.88 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 122.988 0.515 . . . . 74.55 110.898 -178.722 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.401 ' HB2' ' HB2' ' A' ' 81' ' ' ALA . 8.6 t -60.74 -53.58 55.63 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.223 0.535 . . . . 73.1 109.726 179.081 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.463 ' HB2' HD21 ' B' ' 30' ' ' LEU . . . -67.35 -33.7 75.77 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.772 -0.649 . . . . 72.41 110.738 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.629 ' SG ' ' HB3' ' B' ' 46' ' ' PRO . 80.5 m -66.57 -36.42 82.61 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.998 -0.546 . . . . 74.4 110.024 177.713 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 36.1 t80 -69.7 -37.71 76.68 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.097 -0.705 . . . . 74.24 109.097 -179.589 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.463 ' O ' ' HG3' ' A' ' 63' ' ' LYS . 49.6 tp -65.31 -45.85 82.7 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 115.589 -0.732 . . . . 74.12 110.29 176.346 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 32.8 t -62.06 -48.6 79.53 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 116.045 -0.525 . . . . 74.4 110.234 178.779 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.443 ' O ' HG22 ' A' ' 65' ' ' VAL . . . -59.57 -40.62 87.93 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.047 -0.524 . . . . 64.15 110.229 177.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' MET . . . . . 0.515 ' HE1' ' HA ' ' A' ' 62' ' ' MET . 5.5 tpt -58.76 -35.61 73.05 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.962 -0.563 . . . . 61.32 110.182 177.658 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.531 ' NZ ' ' HA ' ' B' ' 16' ' ' ASP . 97.2 mttt -67.57 -51.95 44.47 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-O 120.903 0.382 . . . . 62.32 110.249 176.345 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.408 ' CZ ' ' HE1' ' B' ' 93' ' ' PHE . 58.9 t80 -59.87 -35.03 73.95 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 115.986 -0.552 . . . . 70.35 110.054 -178.6 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.443 HG22 ' O ' ' A' ' 61' ' ' ALA . 54.6 t -64.22 -44.13 97.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.947 -0.57 . . . . 51.41 109.767 173.46 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.59 -30.79 68.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.099 0.476 . . . . 55.45 110.087 175.159 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -70.12 -34.28 70.03 Favored Glycine 0 C--N 1.33 0.228 0 CA-C-N 115.292 -0.867 . . . . 65.01 112.108 -177.549 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -88.0 -20.35 25.94 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.642 0.734 . . . . 73.33 109.046 178.337 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.475 ' HB3' ' HG2' ' A' ' 71' ' ' GLN . 8.6 m-80 -86.95 -3.36 59.08 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 114.792 -1.095 . . . . 73.35 110.915 176.042 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 9.8 mptt 55.06 30.68 14.7 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-O 121.467 0.651 . . . . 70.5 110.903 177.711 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.501 HE22 HD22 ' A' ' 73' ' ' LEU . 2.0 pt20 -119.22 158.15 26.59 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 114.945 -1.025 . . . . 65.11 109.287 176.579 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 17.1 p -118.45 137.26 53.29 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.945 0.402 . . . . 71.13 111.297 -177.348 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.501 HD22 HE22 ' A' ' 71' ' ' GLN . 79.8 mt -109.39 138.05 20.43 Favored Pre-proline 0 CA--C 1.535 0.378 0 CA-C-N 115.939 -0.573 . . . . 64.52 109.946 179.687 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . 0.507 ' HD2' HD13 ' A' ' 103' ' ' LEU . 35.4 Cg_exo -59.57 141.77 97.78 Favored 'Trans proline' 0 C--N 1.351 0.693 0 C-N-CA 123.164 2.576 . . . . 75.32 113.099 -179.331 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -77.25 -9.89 59.08 Favored 'General case' 0 N--CA 1.467 0.386 0 N-CA-C 112.166 0.432 . . . . 74.43 112.166 -179.3 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -89.93 17.47 6.74 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.653 0.74 . . . . 72.44 110.903 -177.625 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.514 ' HB ' HD12 ' A' ' 103' ' ' LEU . 10.0 t -86.33 168.48 13.83 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.552 -0.749 . . . . 74.0 111.372 -178.097 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.491 HG22 ' HA ' ' B' ' 12' ' ' THR . 1.0 OUTLIER -153.75 149.36 27.38 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 115.766 -0.652 . . . . 72.13 110.742 -179.164 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 74.2 t -131.92 121.99 48.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 N-CA-C 109.124 -0.695 . . . . 73.54 109.124 173.47 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' THR . . . . . 0.535 ' HA ' ' HA ' ' B' ' 10' ' ' THR . 16.5 m -106.18 112.54 25.62 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.602 -0.272 . . . . 61.0 110.756 -179.814 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.401 ' HB2' ' HB2' ' A' ' 55' ' ' SER . . . -93.19 105.87 17.91 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.575 -0.528 . . . . 75.0 109.575 176.424 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.457 ' HA ' ' HA ' ' B' ' 8' ' ' ALA . 31.2 tt0 -104.67 107.58 18.6 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 108.677 -0.86 . . . . 75.53 108.677 -179.745 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 30.7 m -112.14 144.94 18.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 121.118 0.485 . . . . 74.25 111.811 -171.181 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -136.43 160.51 24.77 Favored Glycine 0 N--CA 1.438 -1.179 0 CA-C-N 115.392 -0.822 . . . . 64.22 111.712 177.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -129.81 132.55 65.77 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.777 0 N-CA-C 108.563 -0.903 . . . . 71.32 108.563 178.23 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . 0.413 ' HA2' ' HG ' ' B' ' 4' ' ' LEU . . . -149.75 169.81 29.9 Favored Glycine 0 C--N 1.329 0.15 0 O-C-N 123.689 0.618 . . . . 64.2 111.575 -176.182 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . 0.669 ' HD3' ' HG ' ' B' ' 4' ' ' LEU . 90.9 Cg_endo -81.97 140.95 11.62 Favored 'Trans proline' 0 N--CA 1.458 -0.591 0 C-N-CA 122.297 1.998 . . . . 75.13 112.816 -177.266 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -79.07 159.39 27.56 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.422 -0.808 . . . . 63.43 109.279 175.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -57.24 -26.0 60.04 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-O 120.753 0.311 . . . . 74.31 111.486 -178.585 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -73.37 -24.41 60.32 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-O 121.186 0.517 . . . . 62.35 111.092 179.535 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.3 25.15 7.16 Favored Glycine 0 N--CA 1.453 -0.221 0 CA-C-N 115.813 -0.631 . . . . 52.42 112.029 -176.098 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . 0.46 ' O ' ' HA ' ' A' ' 87' ' ' PRO . . . -108.01 -160.65 20.67 Favored Glycine 0 C--N 1.332 0.322 0 N-CA-C 110.657 -0.977 . . . . 74.12 110.657 173.673 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 59.2 m-85 -108.83 152.28 25.1 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 117.413 0.606 . . . . 72.25 110.622 177.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -147.83 145.5 28.75 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 115.865 -0.607 . . . . 73.43 110.205 -177.792 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -104.91 149.28 25.84 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 121.175 0.512 . . . . 75.45 111.456 -176.333 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -135.26 125.58 26.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 114.961 -1.018 . . . . 62.1 109.31 -177.319 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.509 ' HB ' HG23 ' A' ' 134' ' ' VAL . 53.9 t -125.88 111.01 25.43 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.29 0 CA-C-O 120.742 0.306 . . . . 41.42 111.366 -177.258 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -93.54 108.64 20.32 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.676 -0.491 . . . . 52.25 109.676 176.471 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 71.3 mt -94.32 107.14 19.11 Favored 'General case' 0 C--O 1.237 0.423 0 CA-C-O 121.313 0.577 . . . . 73.33 110.396 179.71 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . 0.514 ' HA ' HG13 ' A' ' 137' ' ' VAL . 34.9 ttm180 -99.64 118.44 36.18 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.021 -0.991 . . . . 73.43 110.231 -177.183 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 45.5 t -112.82 104.92 17.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 120.479 0.181 . . . . 72.23 111.233 -173.062 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -102.94 101.37 11.39 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.965 -0.383 . . . . 73.1 109.965 176.456 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.778 HD22 HD22 ' A' ' 106' ' ' LEU . 28.9 tp -114.18 120.97 37.43 Favored Pre-proline 0 C--N 1.33 -0.276 0 N-CA-C 109.302 -0.629 . . . . 73.31 109.302 179.274 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . 0.515 ' HD2' HD12 ' A' ' 103' ' ' LEU . 45.9 Cg_endo -72.23 148.99 50.72 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.522 2.148 . . . . 73.52 112.313 -177.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 74.88 15.28 80.99 Favored Glycine 0 C--N 1.332 0.327 0 CA-C-N 115.862 -0.608 . . . . 54.45 112.269 -178.695 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.778 HD22 HD22 ' A' ' 103' ' ' LEU . 44.4 tp -129.97 143.27 50.71 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 122.618 0.367 . . . . 65.03 111.356 -174.482 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -80.8 166.7 20.72 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 116.205 -0.452 . . . . 72.42 110.802 178.324 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -68.63 -44.11 74.89 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.606 -0.724 . . . . 74.35 110.37 171.182 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -64.42 -47.79 77.81 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 115.762 -0.654 . . . . 64.13 110.791 -176.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . 0.57 ' O ' HG23 ' A' ' 113' ' ' THR . . . -69.15 -41.2 77.6 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.847 -0.615 . . . . 73.25 109.919 178.786 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . 0.518 ' HA ' HD23 ' A' ' 106' ' ' LEU . . . -54.53 -43.84 72.27 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.134 -0.484 . . . . 54.13 111.226 177.77 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . 0.417 ' HA ' HG13 ' A' ' 138' ' ' VAL . 44.8 mttp -53.7 -43.52 69.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.456 -0.338 . . . . 74.23 111.334 177.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' THR . . . . . 0.57 HG23 ' O ' ' A' ' 110' ' ' ALA . 1.0 OUTLIER -74.54 -35.24 63.12 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 120.809 -0.356 . . . . 74.22 110.634 -177.231 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.401 ' HG ' ' O ' ' A' ' 110' ' ' ALA . 53.4 mt -69.35 -47.01 65.62 Favored 'General case' 0 C--O 1.231 0.119 0 CA-C-O 120.776 0.322 . . . . 61.01 110.554 -178.625 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 66.4 t -65.4 -35.25 74.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.112 -0.494 . . . . 72.22 110.016 177.706 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -59.32 -57.29 13.67 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 115.623 -0.717 . . . . 65.51 110.531 178.511 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 11.3 ptm180 -66.03 -39.47 90.2 Favored 'General case' 0 CA--C 1.528 0.115 0 CA-C-N 115.987 -0.551 . . . . 65.24 110.909 -177.263 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -60.17 -49.79 76.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.239 0.542 . . . . 63.41 110.554 178.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 83.1 t60 -71.68 -9.73 58.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.584 -0.735 . . . . 74.13 110.659 -179.738 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 4.9 t-80 -91.45 -39.67 11.84 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 115.686 -0.688 . . . . 75.14 111.04 177.436 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 31.1 m -79.4 -44.04 23.74 Favored 'Isoleucine or valine' 0 C--O 1.237 0.396 0 N-CA-C 111.974 0.361 . . . . 74.54 111.974 -173.512 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 44.9 t -150.15 84.94 5.61 Favored Pre-proline 0 CA--C 1.533 0.326 0 CA-C-O 120.826 0.346 . . . . 72.12 111.879 -175.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 95.6 Cg_endo -87.91 -178.74 2.31 Favored 'Trans proline' 0 CA--C 1.535 0.57 0 C-N-CA 122.818 2.346 . . . . 75.04 110.883 169.006 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -76.92 -8.71 57.87 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-O 121.179 0.514 . . . . 65.44 110.231 -179.697 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' SER . . . . . 0.616 ' HB3' ' HB ' ' A' ' 128' ' ' THR . 29.2 t 179.44 153.91 0.46 Allowed 'General case' 0 C--O 1.234 0.253 0 N-CA-C 108.495 -0.928 . . . . 65.33 108.495 179.466 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' ASN . . . . . 0.407 ' OD1' ' N ' ' A' ' 127' ' ' ALA . 36.6 p30 -69.22 -31.83 70.69 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.602 0.715 . . . . 73.42 109.214 177.04 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . 0.471 ' O ' ' HB3' ' A' ' 131' ' ' ASN . . . -88.07 4.77 44.05 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.173 -0.922 . . . . 54.1 112.069 -178.461 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 128' ' ' THR . . . . . 0.616 ' HB ' ' HB3' ' A' ' 125' ' ' SER . 2.8 t -87.19 -3.75 59.07 Favored 'General case' 0 CA--C 1.513 -0.446 0 N-CA-C 107.752 -1.203 . . . . 73.21 107.752 -176.308 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 21.0 ptt180 -127.3 -42.99 1.65 Allowed 'General case' 0 N--CA 1.438 -1.036 0 CA-C-N 113.952 -1.476 . . . . 72.04 110.087 178.77 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 82.3 m-20 -78.6 -29.31 45.99 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 115.504 -0.771 . . . . 71.52 111.897 -178.062 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 131' ' ' ASN . . . . . 0.471 ' HB3' ' O ' ' A' ' 127' ' ' ALA . 2.5 t-20 -101.32 -40.47 7.1 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 121.266 0.555 . . . . 72.12 109.871 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 39.4 t -97.26 125.85 50.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.3 -0.864 . . . . 70.22 109.833 -178.444 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -69.16 104.01 2.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.049 0.452 . . . . 45.42 110.748 -178.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . 0.509 HG23 ' HB ' ' A' ' 97' ' ' VAL . 74.2 t -114.16 125.16 71.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.813 -0.631 . . . . 75.02 110.858 -179.616 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 12.9 mmt180 -92.54 117.89 30.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.668 -0.696 . . . . 74.34 109.201 178.741 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 45.8 mt -88.31 113.0 23.47 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.204 0.526 . . . . 50.04 110.279 176.662 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . 0.514 HG13 ' HA ' ' A' ' 100' ' ' ARG . 0.2 OUTLIER -126.66 113.53 33.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 115.33 -0.85 . . . . 74.42 109.978 -179.227 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . 0.417 HG13 ' HA ' ' A' ' 112' ' ' LYS . 4.4 m -98.38 138.87 21.75 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-N 115.756 -0.656 . . . . 71.15 110.337 -178.3 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.313 -0.994 0 CA-C-N 115.118 -0.946 . . . . 73.13 110.83 -175.633 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 17.2 ptt? . . . . . 0 C--O 1.234 0.25 0 CA-C-O 120.858 0.361 . . . . 72.42 110.9 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 2' ' ' ASN . . . . . 0.56 ' O ' ' HD2' ' A' ' 87' ' ' PRO . 38.9 t30 -75.29 80.03 2.39 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-O 121.12 0.486 . . . . 61.35 110.667 176.557 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . 0.504 HG21 ' HB2' ' B' ' 6' ' ' LYS . 29.2 mm -73.95 136.55 25.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 115.981 -0.554 . . . . 72.42 111.26 174.872 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . 0.669 ' HG ' ' HD3' ' A' ' 87' ' ' PRO . 92.4 mt -88.76 -46.13 9.23 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.762 -0.654 . . . . 75.25 110.1 174.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 5' ' ' TYR . . . . . . . . . . . . . 38.2 t80 -136.42 126.41 26.0 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 116.116 -0.493 . . . . 75.45 110.546 -177.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . 0.504 ' HB2' HG21 ' B' ' 3' ' ' ILE . 30.5 ttmt -136.19 141.37 44.01 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 121.13 0.49 . . . . 65.01 111.211 178.309 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 6.2 t -138.9 156.71 47.06 Favored 'General case' 0 C--O 1.238 0.448 0 CA-C-N 115.421 -0.809 . . . . 73.02 109.45 178.41 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . 0.457 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . . . -118.29 134.7 54.81 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-O 121.06 0.457 . . . . 64.22 111.371 -177.329 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . 0.47 ' HA ' ' HA ' ' B' ' 21' ' ' SER . . . -129.14 121.29 27.44 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.924 -0.58 . . . . 71.2 109.805 176.597 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 10' ' ' THR . . . . . 0.535 ' HA ' ' HA ' ' A' ' 80' ' ' THR . 12.6 t -99.98 146.4 26.75 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.854 0.359 . . . . 64.31 110.032 -178.195 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 11' ' ' SER . . . . . 0.598 ' HA ' ' O ' ' B' ' 18' ' ' ARG . 77.2 p -128.71 114.36 16.52 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.203 -0.453 . . . . 74.14 110.188 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 12' ' ' THR . . . . . 0.491 ' HA ' HG22 ' A' ' 78' ' ' THR . 5.3 m -91.86 157.95 16.58 Favored 'General case' 0 C--O 1.238 0.49 0 CA-C-N 115.938 -0.574 . . . . 73.24 110.49 -179.43 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -82.07 73.55 2.62 Favored Glycine 0 N--CA 1.443 -0.891 0 C-N-CA 120.79 -0.719 . . . . 71.12 112.653 177.105 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -67.61 -134.28 0.04 OUTLIER Glycine 0 C--N 1.334 0.449 0 N-CA-C 110.992 -0.843 . . . . 73.4 110.992 173.093 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 12.3 mmm180 -60.36 -55.37 34.44 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 117.963 0.882 . . . . 65.14 109.245 173.787 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 16' ' ' ASP . . . . . 0.533 ' HB3' ' HA ' ' B' ' 31' ' ' SER . 37.6 t0 -126.63 -43.69 1.72 Allowed 'General case' 0 CA--C 1.518 -0.26 0 C-N-CA 120.77 -0.372 . . . . 65.33 111.176 167.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -151.79 140.81 8.04 Favored Glycine 0 N--CA 1.446 -0.651 0 C-N-CA 119.473 -1.346 . . . . 74.22 112.95 176.083 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 18' ' ' ARG . . . . . 0.598 ' O ' ' HA ' ' B' ' 11' ' ' SER . 11.7 tpt180 -123.46 105.21 9.6 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 108.605 -0.887 . . . . 74.4 108.605 174.677 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 19' ' ' ALA . . . . . 0.505 ' HB3' ' HB1' ' A' ' 52' ' ' ALA . . . -98.46 123.87 42.84 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 110.158 -0.312 . . . . 64.31 110.158 -175.262 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 32.0 m -141.13 115.29 9.28 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.322 -0.399 . . . . 75.11 110.669 -175.378 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 21' ' ' SER . . . . . 0.569 ' HB3' ' N ' ' B' ' 26' ' ' LEU . 31.4 t -71.32 110.69 6.1 Favored 'General case' 0 C--O 1.249 1.068 0 N-CA-C 108.063 -1.088 . . . . 74.21 108.063 176.78 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 22' ' ' HIS . . . . . 0.458 ' C ' ' H ' ' B' ' 24' ' ' GLN . 45.2 t60 -54.17 -20.74 7.29 Favored 'General case' 0 C--N 1.35 0.625 0 O-C-N 126.646 2.466 . . . . 73.12 112.247 -172.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -80.13 17.64 0.98 Allowed 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.509 -0.552 . . . . 63.54 109.509 176.731 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 24' ' ' GLN . . . . . 0.458 ' H ' ' C ' ' B' ' 22' ' ' HIS . 28.4 mm-40 63.13 21.92 13.12 Favored 'General case' 0 CA--C 1.519 -0.227 0 CA-C-N 115.291 -0.868 . . . . 71.43 109.935 178.87 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 32.5 mmtp -90.11 -26.8 20.03 Favored 'General case' 0 N--CA 1.45 -0.475 0 CA-C-N 115.061 -0.972 . . . . 41.25 111.074 -178.265 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . 0.569 ' N ' ' HB3' ' B' ' 21' ' ' SER . 55.2 tp -142.09 145.02 33.83 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 119.403 -0.919 . . . . 73.34 111.918 -176.318 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -156.48 100.32 1.95 Allowed 'General case' 0 CA--C 1.535 0.39 0 O-C-N 124.279 0.987 . . . . 53.33 110.098 177.481 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 3.2 m -148.66 178.16 0.81 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.503 0 CA-C-N 115.478 -0.783 . . . . 74.12 111.23 177.071 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 18.0 ttpt -139.03 141.48 38.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.552 -0.749 . . . . 74.12 110.126 -179.114 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . 0.544 ' N ' HD12 ' B' ' 30' ' ' LEU . 0.0 OUTLIER -132.67 173.82 10.95 Favored 'General case' 0 C--O 1.251 1.144 0 CA-C-O 120.65 0.262 . . . . 72.32 111.125 177.519 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 31' ' ' SER . . . . . 0.533 ' HA ' ' HB3' ' B' ' 16' ' ' ASP . 56.7 p -167.77 135.33 2.29 Favored 'General case' 0 N--CA 1.456 -0.17 0 CA-C-N 115.77 -0.65 . . . . 62.35 111.959 -178.886 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -75.21 131.35 78.41 Favored Pre-proline 0 C--O 1.241 0.641 0 CA-C-N 115.95 -0.568 . . . . 75.13 110.324 174.333 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 33' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -54.66 134.93 64.97 Favored 'Trans proline' 0 C--N 1.349 0.59 0 C-N-CA 123.015 2.477 . . . . 72.21 112.761 -179.127 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.99 -15.96 58.04 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 116.092 -0.504 . . . . 71.43 111.001 178.017 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -49.82 -33.33 16.41 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 115.895 -0.593 . . . . 72.42 111.504 179.428 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 16.9 mt -106.45 11.67 30.52 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.6 -0.727 . . . . 63.52 110.913 -173.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 85.05 31.65 22.64 Favored Glycine 0 C--N 1.331 0.301 0 CA-C-N 115.828 -0.624 . . . . 51.22 111.762 -175.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -87.91 -133.06 4.06 Favored Glycine 0 C--N 1.334 0.471 0 C-N-CA 121.327 -0.463 . . . . 64.12 112.134 -177.454 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -102.61 -42.45 5.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.741 0.305 . . . . 71.25 111.111 -176.549 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 78.24 95.09 0.25 Allowed Glycine 0 N--CA 1.446 -0.683 0 C-N-CA 120.73 -0.748 . . . . 53.13 111.493 -179.278 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . 0.406 ' HB3' ' CB ' ' B' ' 31' ' ' SER . . . -159.17 -170.35 2.96 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.893 0.378 . . . . 75.21 111.943 -177.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -91.75 5.97 47.79 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 115.295 -0.866 . . . . 74.14 111.761 -174.272 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -80.92 -168.46 39.59 Favored Glycine 0 CA--C 1.517 0.203 0 C-N-CA 120.894 -0.669 . . . . 72.12 113.057 -173.069 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 44' ' ' THR . . . . . 0.541 ' H ' ' HA ' ' B' ' 30' ' ' LEU . 6.7 t -108.28 166.88 10.42 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.331 -0.618 . . . . 70.51 109.331 178.725 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 45' ' ' ASN . . . . . 0.66 ' HB2' ' HB3' ' B' ' 48' ' ' GLN . 2.7 m-20 -78.08 138.84 60.74 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 120.446 0.165 . . . . 71.14 111.219 -175.295 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 46' ' ' PRO . . . . . 0.629 ' HB3' ' SG ' ' A' ' 57' ' ' CYS . 26.0 Cg_exo -63.67 -52.31 1.92 Allowed 'Trans proline' 0 C--O 1.241 0.629 0 C-N-CA 123.079 2.519 . . . . 54.41 112.613 179.146 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 47' ' ' GLU . . . . . 0.417 ' OE2' ' HB3' ' B' ' 45' ' ' ASN . 3.3 pm0 -66.8 -33.46 75.67 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 121.085 0.469 . . . . 73.03 109.869 -178.054 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . 0.66 ' HB3' ' HB2' ' B' ' 45' ' ' ASN . 0.7 OUTLIER -64.78 -35.83 82.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.61 -0.723 . . . . 65.22 110.315 173.555 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -65.08 -51.09 63.43 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-N 116.034 -0.53 . . . . 73.15 109.664 179.278 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 75.1 t80 -59.92 -46.72 88.47 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 116.51 -0.313 . . . . 74.53 110.333 177.234 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . 0.483 ' HB1' ' HB3' ' B' ' 81' ' ' ALA . . . -56.45 -53.45 57.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.232 -0.44 . . . . 63.22 111.393 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 52' ' ' ALA . . . . . 0.68 ' HB2' ' HB2' ' A' ' 19' ' ' ALA . . . -61.65 -48.46 80.74 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 116.313 -0.403 . . . . 74.31 110.737 -177.893 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -61.42 -44.1 98.47 Favored Glycine 0 C--N 1.331 0.273 0 CA-C-N 115.877 -0.601 . . . . 73.22 112.198 -179.638 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -68.59 -36.2 78.39 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 122.496 0.318 . . . . 73.43 110.741 -179.335 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 55' ' ' SER . . . . . 0.53 ' OG ' ' HB2' ' B' ' 81' ' ' ALA . 66.3 m -66.93 -44.47 80.6 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.757 0.313 . . . . 71.55 110.626 179.768 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 56' ' ' ALA . . . . . 0.423 ' HB1' HD23 ' A' ' 30' ' ' LEU . . . -67.59 -41.77 83.55 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.164 0.507 . . . . 72.32 109.914 175.618 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 57' ' ' CYS . . . . . . . . . . . . . 41.2 t -59.64 -36.17 75.84 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.418 -0.81 . . . . 72.4 110.504 177.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 28.1 t80 -57.03 -34.7 68.47 Favored 'General case' 0 CA--C 1.529 0.148 0 CA-C-N 116.004 -0.544 . . . . 61.11 110.204 -177.654 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -68.06 -47.87 67.16 Favored 'General case' 0 CA--C 1.53 0.176 0 N-CA-C 109.319 -0.623 . . . . 73.31 109.319 177.63 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 15.1 m -56.31 -51.28 68.79 Favored 'General case' 0 C--O 1.243 0.763 0 CA-C-N 116.107 -0.497 . . . . 73.23 110.694 178.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 61' ' ' ALA . . . . . 0.524 ' HB2' ' SG ' ' B' ' 122' ' ' CYS . . . -58.84 -50.59 73.43 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.441 -0.799 . . . . 44.1 110.39 179.435 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 62' ' ' MET . . . . . 0.443 ' HE1' HD11 ' B' ' 73' ' ' LEU . 10.4 mtp -66.67 -23.11 66.1 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.458 -0.337 . . . . 71.0 111.318 179.477 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . 0.595 ' HB3' ' HZ1' ' B' ' 63' ' ' LYS . 6.3 ttpm? -67.57 -47.68 69.08 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 108.878 -0.786 . . . . 72.03 108.878 175.883 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 77.9 t80 -60.51 -48.46 81.65 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 115.454 -0.794 . . . . 73.11 110.101 175.191 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 44.0 t -57.35 -47.9 83.66 Favored 'Isoleucine or valine' 0 C--O 1.233 0.192 0 CA-C-N 115.629 -0.714 . . . . 75.05 111.304 179.461 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -58.15 -33.17 68.9 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.125 -0.489 . . . . 74.13 110.531 179.719 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -70.1 -28.71 71.26 Favored Glycine 0 N--CA 1.449 -0.439 0 CA-C-N 115.506 -0.77 . . . . 75.04 112.157 -176.483 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -98.9 -14.49 19.55 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.068 0.461 . . . . 64.5 110.313 179.203 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 7.4 m-80 -92.08 2.42 56.59 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 115.833 -0.621 . . . . 65.21 111.002 177.324 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 2.5 mptp? 64.15 25.3 13.66 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 115.788 -0.642 . . . . 73.12 111.518 175.753 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -119.87 165.67 14.3 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.743 -0.662 . . . . 74.24 110.273 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 19.4 p -125.24 139.54 53.64 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.385 -0.371 . . . . 74.12 110.582 179.389 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 73' ' ' LEU . . . . . 0.462 ' HA ' ' HD3' ' B' ' 74' ' ' PRO . 96.6 mt -109.46 139.34 21.03 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.271 -0.422 . . . . 75.15 110.493 179.202 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 74' ' ' PRO . . . . . 0.462 ' HD3' ' HA ' ' B' ' 73' ' ' LEU . 19.5 Cg_exo -67.42 129.67 20.72 Favored 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 122.941 2.427 . . . . 74.32 112.045 179.702 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -77.08 -12.24 59.91 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-O 121.014 0.435 . . . . 71.53 111.061 178.595 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -81.4 2.64 27.61 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-O 121.539 0.685 . . . . 60.22 111.093 -179.75 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 77' ' ' THR . . . . . 0.433 ' HA ' ' HD3' ' B' ' 104' ' ' PRO . 9.7 t -70.86 164.93 24.31 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.777 -0.647 . . . . 73.25 112.054 -175.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 28.2 m -145.65 149.38 34.38 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.49 -0.777 . . . . 71.23 109.746 176.646 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 79' ' ' VAL . . . . . 0.685 ' HB ' ' HG ' ' A' ' 11' ' ' SER . 57.4 t -128.42 151.95 35.9 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 N-CA-C 108.305 -0.998 . . . . 54.24 108.305 177.248 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 26.3 m -136.27 112.03 9.45 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.795 0.331 . . . . 75.2 110.619 176.596 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 81' ' ' ALA . . . . . 0.53 ' HB2' ' OG ' ' B' ' 55' ' ' SER . . . -93.44 104.79 16.91 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.061 -0.518 . . . . 73.43 110.027 177.334 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -101.66 107.55 18.82 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.248 -0.649 . . . . 71.23 109.248 178.663 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . 0.451 HG12 ' HB ' ' B' ' 97' ' ' VAL . 18.3 m -102.85 136.78 33.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 120.979 0.419 . . . . 71.44 111.039 -176.729 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 84' ' ' GLY . . . . . . . . . . . . . . . -134.52 151.52 20.37 Favored Glycine 0 N--CA 1.44 -1.053 0 N-CA-C 110.894 -0.882 . . . . 52.45 110.894 175.603 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -131.9 129.66 60.92 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.815 0 N-CA-C 108.996 -0.742 . . . . 73.1 108.996 -179.439 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 86' ' ' GLY . . . . . 0.405 ' HA2' ' HG ' ' A' ' 4' ' ' LEU . . . -150.54 169.71 30.43 Favored Glycine 0 C--N 1.329 0.147 0 O-C-N 124.239 0.962 . . . . 52.3 111.152 -178.485 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 87' ' ' PRO . . . . . 0.598 ' HD3' ' HG ' ' A' ' 4' ' ' LEU . 92.5 Cg_endo -81.61 141.74 12.52 Favored 'Trans proline' 0 N--CA 1.458 -0.583 0 C-N-CA 122.388 2.059 . . . . 70.05 112.095 -177.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 88' ' ' ASN . . . . . . . . . . . . . 32.9 p30 -95.24 168.19 10.89 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.883 -0.598 . . . . 72.3 109.889 177.411 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -63.86 -17.43 63.15 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.426 -0.352 . . . . 71.21 111.653 -178.114 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -75.4 -24.48 57.18 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 121.14 0.495 . . . . 74.05 110.485 177.44 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.41 8.3 38.32 Favored Glycine 0 C--O 1.237 0.297 0 CA-C-N 115.935 -0.575 . . . . 72.2 112.506 178.79 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . -105.09 -166.95 24.03 Favored Glycine 0 N--CA 1.451 -0.337 0 N-CA-C 110.904 -0.879 . . . . 70.13 110.904 176.437 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 93' ' ' PHE . . . . . 0.408 ' HE1' ' CZ ' ' A' ' 64' ' ' PHE . 40.9 m-85 -98.04 149.61 22.29 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.027 0.441 . . . . 73.12 110.555 179.31 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -135.84 132.66 36.92 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.538 -0.755 . . . . 62.21 109.651 -178.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -101.9 118.37 36.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.986 -0.552 . . . . 74.21 110.649 -178.517 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 96' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -110.21 110.27 21.05 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.395 -0.82 . . . . 73.53 109.123 176.477 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 97' ' ' VAL . . . . . 0.476 ' O ' ' HA ' ' B' ' 134' ' ' VAL . 1.5 p -112.34 110.82 33.62 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-O 121.572 0.701 . . . . 65.34 110.178 179.23 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -93.53 108.0 19.76 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.261 -0.881 . . . . 74.42 109.112 -178.743 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 22.4 tp -98.22 112.46 24.43 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.793 -0.639 . . . . 75.14 110.338 -173.132 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 100' ' ' ARG . . . . . 0.512 ' HA ' HG13 ' B' ' 137' ' ' VAL . 65.7 ttt180 -99.24 121.71 41.42 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.184 -0.462 . . . . 70.24 110.513 -176.741 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 101' ' ' VAL . . . . . . . . . . . . . 91.3 t -105.1 101.74 12.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.824 -0.626 . . . . 60.12 110.715 -177.409 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 102' ' ' ALA . . . . . 0.501 ' HA ' ' HB2' ' B' ' 139' ' ' ALA . . . -96.32 101.16 12.76 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.909 0.385 . . . . 53.32 110.017 177.371 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 103' ' ' LEU . . . . . 0.412 ' HB2' HD22 ' B' ' 106' ' ' LEU . 19.5 mt -111.02 118.75 47.44 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 115.92 -0.582 . . . . 72.24 109.715 179.764 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 104' ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' B' ' 77' ' ' THR . 57.7 Cg_endo -71.21 146.16 50.68 Favored 'Trans proline' 0 N--CA 1.461 -0.397 0 C-N-CA 122.497 2.132 . . . . 74.24 112.449 -177.496 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 105' ' ' GLY . . . . . . . . . . . . . . . 69.66 15.0 70.58 Favored Glycine 0 CA--C 1.521 0.429 0 CA-C-N 115.045 -0.979 . . . . 72.34 112.667 -179.019 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 106' ' ' LEU . . . . . 0.412 HD22 ' HB2' ' B' ' 103' ' ' LEU . 31.9 tp -123.36 135.82 54.35 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.264 0.554 . . . . 65.44 111.353 -177.599 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -76.44 148.54 37.2 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.092 -0.958 . . . . 63.12 110.643 177.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 108' ' ' ALA . . . . . 0.463 ' O ' ' HG3' ' B' ' 112' ' ' LYS . . . -64.46 -40.73 96.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.487 -0.324 . . . . 74.55 110.573 178.524 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -55.64 -50.52 69.97 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 115.933 -0.576 . . . . 64.51 110.808 179.647 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 110' ' ' ALA . . . . . 0.501 ' O ' HG23 ' B' ' 113' ' ' THR . . . -68.81 -41.99 77.89 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-O 121.127 0.489 . . . . 72.03 110.367 178.524 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 111' ' ' ALA . . . . . 0.405 ' O ' HG21 ' B' ' 115' ' ' VAL . . . -55.62 -35.86 66.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.741 -0.663 . . . . 64.14 111.173 -178.612 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 112' ' ' LYS . . . . . 0.463 ' HG3' ' O ' ' B' ' 108' ' ' ALA . 55.9 mtpt -54.07 -43.53 70.37 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 116.331 -0.395 . . . . 74.45 111.438 178.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 113' ' ' THR . . . . . 0.501 HG23 ' O ' ' B' ' 110' ' ' ALA . 1.5 t -81.64 -34.71 30.67 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.872 0.367 . . . . 72.03 110.251 -178.883 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 114' ' ' LEU . . . . . 0.45 ' HG ' ' O ' ' B' ' 110' ' ' ALA . 39.4 mt -63.27 -42.53 99.14 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-N 116.207 -0.451 . . . . 72.05 110.931 -179.57 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 115' ' ' VAL . . . . . 0.451 HG23 HG12 ' B' ' 138' ' ' VAL . 85.4 t -70.08 -32.68 52.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.378 -0.374 . . . . 63.55 110.332 178.445 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -61.06 -61.08 2.83 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 121.144 0.497 . . . . 75.43 110.013 177.417 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 117' ' ' ARG . . . . . 0.465 ' HG2' ' O ' ' B' ' 113' ' ' THR . 7.8 ptm180 -59.41 -43.66 92.96 Favored 'General case' 0 C--O 1.224 -0.253 0 CA-C-N 115.456 -0.793 . . . . 70.2 110.8 -178.916 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 118' ' ' ALA . . . . . 0.416 ' HB1' ' SD ' ' B' ' 62' ' ' MET . . . -58.8 -54.0 52.04 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-O 120.948 0.404 . . . . 61.11 111.24 -179.87 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 119' ' ' HIS . . . . . 0.518 ' NE2' HG21 ' B' ' 128' ' ' THR . 33.4 t60 -71.46 -0.85 11.37 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 116.016 -0.538 . . . . 74.31 110.895 -177.181 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 24.9 t60 -108.4 -40.01 5.27 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 116.209 -0.45 . . . . 73.32 111.71 178.235 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 35.0 m -80.03 -36.31 16.72 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.313 0 N-CA-C 111.394 0.146 . . . . 73.14 111.394 -174.381 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 122' ' ' CYS . . . . . 0.524 ' SG ' ' HB2' ' B' ' 61' ' ' ALA . 52.4 t -140.51 67.5 30.63 Favored Pre-proline 0 C--O 1.234 0.288 0 CA-C-O 121.003 0.43 . . . . 74.53 111.474 -178.42 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 123' ' ' PRO . . . . . . . . . . . . . 68.7 Cg_endo -91.45 155.24 3.64 Favored 'Trans proline' 0 N--CA 1.452 -0.942 0 C-N-CA 122.786 2.324 . . . . 65.25 110.792 171.246 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 124' ' ' TYR . . . . . 0.478 ' HE1' ' CG ' ' A' ' 50' ' ' PHE . 5.0 t80 . . . . . 0 CA--C 1.532 0.258 0 CA-C-O 121.357 0.598 . . . . 65.35 109.548 178.504 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 128' ' ' THR . . . . . 0.518 HG21 ' NE2' ' B' ' 119' ' ' HIS . 6.2 t . . . . . 0 CA--C 1.508 -0.639 0 N-CA-C 108.189 -1.041 . . . . 64.4 108.189 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 129' ' ' ARG . . . . . 0.406 HH11 ' HD2' ' B' ' 129' ' ' ARG . 13.2 ptt180 -128.61 -58.15 1.18 Allowed 'General case' 0 N--CA 1.435 -1.199 0 CA-C-N 115.127 -0.942 . . . . 75.21 111.961 178.109 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 130' ' ' ASN . . . . . 0.711 HD21 ' N ' ' B' ' 131' ' ' ASN . 0.2 OUTLIER -78.75 -33.15 46.75 Favored 'General case' 0 CA--C 1.512 -0.505 0 CA-C-O 122.176 0.989 . . . . 74.14 112.347 -176.342 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 131' ' ' ASN . . . . . 0.711 ' N ' HD21 ' B' ' 130' ' ' ASN . 3.7 t-20 -90.41 -44.16 9.82 Favored 'General case' 0 C--N 1.302 -1.47 0 CA-C-N 113.981 -1.463 . . . . 75.43 111.292 -176.628 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 132' ' ' VAL . . . . . . . . . . . . . 48.0 t -108.07 121.08 60.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.886 -0.597 . . . . 62.31 109.494 -174.565 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 133' ' ' ALA . . . . . . . . . . . . . . . -69.4 88.71 0.48 Allowed 'General case' 0 C--O 1.237 0.404 0 CA-C-O 121.503 0.668 . . . . 72.23 111.691 -174.501 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 134' ' ' VAL . . . . . 0.476 ' HA ' ' O ' ' B' ' 97' ' ' VAL . 21.9 t -104.8 104.07 16.3 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.668 0 CA-C-N 115.028 -0.987 . . . . 64.53 109.82 174.467 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 6.3 tpp180 -74.17 101.31 3.92 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.702 -0.681 . . . . 74.32 109.248 -178.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 72.6 mt -76.62 121.62 23.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.017 0.437 . . . . 72.41 111.23 -177.323 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 137' ' ' VAL . . . . . 0.512 HG13 ' HA ' ' B' ' 100' ' ' ARG . 0.2 OUTLIER -130.94 129.63 63.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.441 -0.799 . . . . 74.23 109.598 179.369 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 138' ' ' VAL . . . . . 0.451 HG12 HG23 ' B' ' 115' ' ' VAL . 4.1 m -103.77 138.39 28.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 121.455 0.645 . . . . 70.52 110.529 -177.088 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 139' ' ' ALA . . . . . 0.501 ' HB2' ' HA ' ' B' ' 102' ' ' ALA . . . . . . . . 0 C--O 1.247 0.946 0 CA-C-N 115.192 -0.913 . . . . 71.35 110.294 -176.107 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.6 ptt? . . . . . 0 N--CA 1.484 1.234 0 CA-C-O 120.732 0.301 . . . . 71.43 110.703 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 46.5 t30 -73.5 76.96 1.44 Allowed 'General case' 0 CA--C 1.53 0.201 0 CA-C-O 121.351 0.596 . . . . 75.52 110.694 178.111 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.503 HG21 ' HB2' ' A' ' 6' ' ' LYS . 40.5 mm -73.95 130.61 35.82 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-N 115.769 -0.65 . . . . 51.02 112.154 177.139 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.636 ' HG ' ' HD3' ' B' ' 87' ' ' PRO . 90.5 mt -82.53 -50.14 9.13 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.252 -0.885 . . . . 74.21 109.962 174.357 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 27.4 t80 -136.49 132.02 34.75 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.016 -0.538 . . . . 73.42 109.645 -178.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.503 ' HB2' HG21 ' A' ' 3' ' ' ILE . 32.3 ttmt -131.92 146.54 52.17 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.999 0.428 . . . . 62.42 111.081 178.908 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.469 HG23 ' HB2' ' B' ' 48' ' ' GLN . 10.3 t -147.01 -179.51 6.86 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.363 -0.835 . . . . 73.02 108.91 172.077 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.406 ' O ' ' ND1' ' A' ' 22' ' ' HIS . . . -151.62 161.73 42.18 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.927 0.394 . . . . 64.34 110.661 -176.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -141.52 153.98 45.22 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.001 -0.545 . . . . 73.03 109.716 176.067 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 87.0 m -122.43 109.94 15.01 Favored 'General case' 0 N--CA 1.437 -1.098 0 N-CA-C 109.007 -0.738 . . . . 73.43 109.007 -172.457 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.504 ' HA ' ' O ' ' A' ' 18' ' ' ARG . 70.0 m -109.39 113.15 25.72 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 115.504 -0.771 . . . . 74.42 110.216 -179.209 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 4.0 m -95.47 157.27 15.97 Favored 'General case' 0 C--O 1.239 0.507 0 CA-C-N 115.692 -0.685 . . . . 72.12 110.829 -177.633 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -86.23 75.79 2.21 Favored Glycine 0 N--CA 1.447 -0.572 0 CA-C-N 115.815 -0.63 . . . . 62.44 111.586 175.38 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -65.88 -107.48 0.01 OUTLIER Glycine 0 C--N 1.332 0.356 0 C-N-CA 121.269 -0.491 . . . . 62.02 112.054 177.26 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.42 ' HD3' ' HA ' ' A' ' 15' ' ' ARG . 33.4 mmt180 -88.79 -51.73 5.49 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.86 -0.422 . . . . 73.04 109.86 174.251 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.53 ' HB3' ' HA ' ' A' ' 31' ' ' SER . 20.8 t70 -125.89 -42.48 1.9 Allowed 'General case' 0 N--CA 1.464 0.234 0 N-CA-C 109.831 -0.433 . . . . 74.22 109.831 171.754 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.408 ' O ' ' HG3' ' A' ' 29' ' ' LYS . . . -164.95 153.6 23.89 Favored Glycine 0 C--N 1.338 0.684 0 C-N-CA 120.284 -0.96 . . . . 73.12 111.961 165.846 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.541 ' HA ' ' HA ' ' A' ' 29' ' ' LYS . 0.8 OUTLIER -139.16 110.1 6.78 Favored 'General case' 0 C--O 1.221 -0.414 0 N-CA-C 109.48 -0.563 . . . . 73.24 109.48 178.848 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -109.61 124.13 50.63 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 120.708 0.29 . . . . 71.12 111.14 -174.458 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.442 HG22 ' O ' ' A' ' 26' ' ' LEU . 88.9 m -131.69 116.81 17.8 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.22 -0.446 . . . . 65.23 110.658 -179.118 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.517 ' CB ' ' HB3' ' A' ' 26' ' ' LEU . 28.3 t -69.35 115.06 8.19 Favored 'General case' 0 C--O 1.251 1.157 0 N-CA-C 107.707 -1.22 . . . . 62.3 107.707 176.247 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.424 ' C ' ' H ' ' A' ' 24' ' ' GLN . 3.4 p-80 -55.29 -27.19 45.05 Favored 'General case' 0 N--CA 1.472 0.673 0 O-C-N 126.459 2.349 . . . . 71.44 112.94 -162.083 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -80.45 14.97 1.79 Allowed 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.456 0.646 . . . . 73.43 109.676 -179.05 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.424 ' H ' ' C ' ' A' ' 22' ' ' HIS . 33.4 mm-40 71.41 17.27 5.84 Favored 'General case' 0 CA--C 1.514 -0.436 0 CA-C-N 114.397 -1.274 . . . . 72.53 110.347 173.342 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.446 ' NZ ' ' OD1' ' B' ' 45' ' ' ASN . 47.2 mtmt -89.0 -16.18 32.33 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 115.63 -0.714 . . . . 73.44 110.967 179.369 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.517 ' HB3' ' CB ' ' A' ' 21' ' ' SER . 62.2 tp -143.15 142.37 31.45 Favored 'General case' 0 C--O 1.218 -0.6 0 C-N-CA 119.232 -0.987 . . . . 74.42 110.578 174.047 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -155.65 97.43 1.85 Allowed 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.22 -0.659 . . . . 74.5 109.22 175.183 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 3.6 m -141.49 177.91 3.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 121.376 0.607 . . . . 62.12 111.482 179.367 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.541 ' HA ' ' HA ' ' A' ' 18' ' ' ARG . 17.2 ttmt -138.02 139.5 39.65 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 114.895 -1.048 . . . . 62.42 109.602 179.811 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.533 HD11 ' N ' ' A' ' 30' ' ' LEU . 0.0 OUTLIER -123.44 161.24 25.19 Favored 'General case' 0 C--O 1.251 1.182 0 CA-C-O 121.397 0.618 . . . . 73.21 110.812 179.196 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.53 ' HA ' ' HB3' ' A' ' 16' ' ' ASP . 56.1 m -157.88 119.13 3.54 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 114.518 -1.219 . . . . 75.34 109.414 -176.194 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.27 135.62 96.32 Favored Pre-proline 0 C--N 1.323 -0.548 0 CA-C-N 116.06 -0.518 . . . . 52.21 110.242 -179.547 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_exo -51.55 128.98 27.82 Favored 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 122.244 1.962 . . . . 73.33 111.206 176.546 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.405 ' HB2' ' N ' ' A' ' 40' ' ' GLY . 25.0 tpt180 -66.06 -12.94 58.82 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.941 -0.392 . . . . 64.52 109.941 -177.718 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.446 ' HB3' HD23 ' A' ' 36' ' ' LEU . 11.4 tp10 -51.55 -39.86 58.59 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-N 115.718 -0.674 . . . . 75.14 110.38 173.487 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.446 HD23 ' HB3' ' A' ' 35' ' ' GLU . 1.6 mm? -97.57 12.51 33.25 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 116.129 -0.487 . . . . 73.53 110.416 -179.239 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.52 23.81 38.46 Favored Glycine 0 CA--C 1.518 0.235 0 C-N-CA 121.222 -0.513 . . . . 72.22 112.329 -177.479 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -79.52 -126.86 0.57 Allowed Glycine 0 C--N 1.334 0.431 0 C-N-CA 121.32 -0.467 . . . . 73.44 112.067 179.521 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -121.3 -13.74 8.42 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.796 0.298 . . . . 63.22 111.768 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.405 ' N ' ' HB2' ' A' ' 34' ' ' ARG . . . 50.5 35.06 28.4 Favored Glycine 0 CA--C 1.524 0.615 0 C-N-CA 121.468 -0.396 . . . . 45.53 113.449 -176.809 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -99.45 -170.48 1.91 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.907 0.384 . . . . 51.12 111.248 -177.435 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -91.8 83.36 5.25 Favored 'General case' 0 CA--C 1.51 -0.581 0 CA-C-O 122.101 0.953 . . . . 71.23 110.648 -178.059 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -155.88 -162.81 11.64 Favored Glycine 0 C--N 1.306 -1.1 0 CA-C-N 113.709 -1.587 . . . . 55.55 111.516 174.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.464 HG21 ' HB3' ' A' ' 30' ' ' LEU . 9.0 t -113.44 179.05 4.07 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.81 -0.441 . . . . 74.01 109.81 175.839 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -104.56 129.1 25.59 Favored Pre-proline 0 C--N 1.33 -0.261 0 N-CA-C 109.475 -0.565 . . . . 72.33 109.475 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.454 ' HB3' ' HB2' ' B' ' 57' ' ' CYS . 88.5 Cg_exo -48.01 -45.49 24.94 Favored 'Trans proline' 0 CA--C 1.535 0.555 0 C-N-CA 123.134 2.556 . . . . 63.04 113.593 -174.724 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.9 mp0 -66.02 -35.83 81.61 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 121.024 0.44 . . . . 62.13 110.343 -177.134 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.401 ' NE2' ' HG ' ' B' ' 21' ' ' SER . 13.2 tt0 -67.08 -40.83 87.07 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.809 -0.632 . . . . 74.41 109.535 176.841 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -58.52 -50.48 73.6 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 115.467 -0.788 . . . . 71.11 109.844 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.453 ' CZ ' ' HE1' ' B' ' 124' ' ' TYR . 58.9 t80 -59.72 -52.34 65.9 Favored 'General case' 0 N--CA 1.462 0.142 0 CA-C-N 116.333 -0.394 . . . . 65.21 110.63 177.821 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.464 ' HB3' ' HB3' ' A' ' 81' ' ' ALA . . . -51.7 -50.86 59.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.893 -0.594 . . . . 52.03 111.596 -179.627 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.76 -47.39 86.55 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-O 120.946 0.403 . . . . 73.32 110.685 -179.609 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -62.61 -44.0 98.18 Favored Glycine 0 N--CA 1.451 -0.357 0 CA-C-N 115.714 -0.675 . . . . 45.35 112.594 -178.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -71.14 -36.26 72.02 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 122.172 0.189 . . . . 74.55 110.544 -178.272 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.492 ' OG ' ' HB2' ' A' ' 81' ' ' ALA . 67.7 m -65.95 -45.31 82.25 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.607 0.241 . . . . 73.1 110.42 178.688 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.34 -43.66 93.9 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-O 121.372 0.606 . . . . 72.41 109.895 175.324 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 51.5 t -57.62 -36.28 71.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.196 -0.911 . . . . 74.4 110.644 176.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 12.0 t80 -55.18 -37.98 67.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.015 -0.539 . . . . 74.24 110.524 -177.778 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -73.37 -32.6 64.59 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.246 -0.434 . . . . 74.12 110.626 178.27 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.458 ' O ' ' HB3' ' A' ' 63' ' ' LYS . 29.9 t -67.6 -43.58 80.13 Favored 'General case' 0 C--O 1.236 0.369 0 N-CA-C 109.503 -0.554 . . . . 74.4 109.503 177.071 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -60.4 -47.88 84.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.717 -0.674 . . . . 64.15 110.089 175.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 83.5 mmm -64.88 -26.68 68.43 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 115.963 -0.562 . . . . 61.32 110.919 177.299 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.488 ' HE3' ' HA ' ' B' ' 16' ' ' ASP . 19.0 ttmm -64.54 -49.36 71.55 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.156 -0.683 . . . . 62.32 109.156 175.654 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 76.3 t80 -65.3 -43.53 90.84 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 115.257 -0.883 . . . . 70.35 110.51 178.271 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 42.0 t -57.9 -49.59 80.61 Favored 'Isoleucine or valine' 0 C--O 1.233 0.192 0 CA-C-N 116.074 -0.512 . . . . 51.41 110.566 177.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -57.44 -33.82 68.33 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.132 -0.485 . . . . 55.45 110.244 178.738 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -66.53 -33.2 83.9 Favored Glycine 0 CA--C 1.518 0.238 0 CA-C-N 115.36 -0.837 . . . . 65.01 112.327 -178.171 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 8.0 pt20 -94.56 -16.18 23.48 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 121.256 0.55 . . . . 73.33 109.806 -179.73 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 11.1 m-80 -93.18 4.68 53.59 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.393 -0.821 . . . . 73.35 110.817 178.113 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.7 mptp? 57.19 34.54 24.96 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-O 121.36 0.6 . . . . 70.5 111.213 174.115 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -130.77 164.14 25.79 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.323 -0.853 . . . . 65.11 110.161 -179.755 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 24.8 p -127.9 136.97 52.11 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.261 -0.427 . . . . 71.13 110.11 177.166 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -109.42 142.98 26.83 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.403 -0.362 . . . . 64.52 110.5 -179.769 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . 0.465 ' O ' HG22 ' A' ' 77' ' ' THR . 76.9 Cg_exo -53.51 132.91 51.17 Favored 'Trans proline' 0 C--N 1.349 0.598 0 C-N-CA 123.122 2.548 . . . . 75.32 112.778 179.024 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -76.99 1.83 16.63 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 121.311 0.577 . . . . 74.43 111.195 177.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -90.5 0.73 57.21 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.528 -0.76 . . . . 72.44 111.09 -178.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.499 ' OG1' HD23 ' A' ' 103' ' ' LEU . 4.3 t -72.96 152.42 41.39 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.451 -0.795 . . . . 74.0 110.799 -179.067 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 33.7 m -150.25 149.32 30.0 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.916 -0.584 . . . . 72.13 110.074 179.356 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.497 HG21 ' HA ' ' A' ' 101' ' ' VAL . 87.1 t -130.65 123.79 55.54 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 115.902 -0.59 . . . . 73.54 109.492 176.685 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 87.9 m -104.43 115.21 29.97 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.289 -0.414 . . . . 61.0 110.32 -179.466 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.492 ' HB2' ' OG ' ' A' ' 55' ' ' SER . . . -93.45 113.97 26.25 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.843 -0.617 . . . . 75.0 110.074 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.44 ' HG2' ' HD3' ' B' ' 6' ' ' LYS . 23.0 tt0 -114.86 107.74 15.81 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.241 -0.651 . . . . 75.53 109.241 -176.409 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 54.9 t -100.17 126.63 53.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.502 -0.772 . . . . 74.25 111.443 -171.799 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . 0.443 ' HA2' ' HA ' ' B' ' 6' ' ' LYS . . . -123.9 157.72 18.35 Favored Glycine 0 N--CA 1.442 -0.906 0 N-CA-C 111.723 -0.551 . . . . 64.22 111.723 177.43 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.504 HD13 ' CD2' ' A' ' 93' ' ' PHE . 0.0 OUTLIER -142.59 130.63 20.27 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.787 0 N-CA-C 109.238 -0.653 . . . . 71.32 109.238 179.519 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . 0.54 ' HA2' ' HG ' ' B' ' 4' ' ' LEU . . . -139.96 169.91 24.5 Favored Glycine 0 CA--C 1.518 0.271 0 O-C-N 124.229 0.955 . . . . 64.2 111.336 179.679 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . 0.744 ' HD3' ' HG ' ' B' ' 4' ' ' LEU . 85.2 Cg_endo -87.62 141.75 5.66 Favored 'Trans proline' 0 N--CA 1.456 -0.681 0 C-N-CA 122.527 2.152 . . . . 75.13 112.39 -175.76 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 22.2 t-20 -103.35 146.27 28.72 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.732 -0.667 . . . . 63.43 109.39 177.465 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -60.79 -16.01 35.98 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 116.414 -0.357 . . . . 74.31 111.867 -177.06 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -67.57 -24.37 65.51 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 121.069 0.461 . . . . 62.35 110.716 178.133 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.16 34.93 3.54 Favored Glycine 0 N--CA 1.453 -0.198 0 CA-C-N 116.006 -0.543 . . . . 52.42 111.89 -178.034 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -146.8 -171.95 16.59 Favored Glycine 0 N--CA 1.449 -0.45 0 N-CA-C 110.93 -0.868 . . . . 74.12 110.93 178.317 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.504 ' CD2' HD13 ' A' ' 85' ' ' ILE . 47.0 m-85 -97.93 151.73 19.97 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.033 0.444 . . . . 72.25 110.451 179.715 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -132.84 127.83 35.35 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.429 -0.805 . . . . 73.43 109.085 -178.253 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -98.24 139.96 33.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.165 0.507 . . . . 75.45 111.43 -174.191 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -125.42 110.26 13.72 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 114.712 -1.131 . . . . 62.1 108.392 175.744 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 60.6 t -111.81 110.42 32.12 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.057 0 C-N-CA 120.904 -0.318 . . . . 41.42 110.81 -176.096 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.62 ' HG2' ' HD3' ' A' ' 135' ' ' ARG . 45.0 mt-10 -90.38 123.69 34.32 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.21 -0.45 . . . . 52.25 110.307 -178.867 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 75.0 mt -107.93 107.16 17.75 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 108.976 -0.75 . . . . 73.33 108.976 173.553 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . 0.486 ' O ' ' HA ' ' A' ' 79' ' ' VAL . 90.3 mtt-85 -99.05 105.55 17.69 Favored 'General case' 0 CA--C 1.513 -0.478 0 N-CA-C 109.506 -0.553 . . . . 73.43 109.506 -175.877 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.497 ' HA ' HG21 ' A' ' 79' ' ' VAL . 47.1 t -100.2 106.37 19.11 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 CA-C-N 115.34 -0.845 . . . . 72.23 111.122 -171.235 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . 0.517 ' HA ' ' HB3' ' A' ' 139' ' ' ALA . . . -103.16 101.33 11.28 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.934 0.397 . . . . 73.1 109.949 175.666 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.499 HD23 ' OG1' ' A' ' 77' ' ' THR . 0.5 OUTLIER -109.07 114.13 58.43 Favored Pre-proline 0 C--N 1.328 -0.349 0 N-CA-C 108.804 -0.813 . . . . 73.31 108.804 175.909 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . 0.472 ' HD2' HD13 ' A' ' 103' ' ' LEU . 45.1 Cg_endo -70.63 144.53 49.66 Favored 'Trans proline' 0 N--CA 1.456 -0.727 0 C-N-CA 121.952 1.768 . . . . 73.52 111.899 -177.107 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 70.42 15.13 72.57 Favored Glycine 0 CA--C 1.521 0.42 0 CA-C-N 115.337 -0.847 . . . . 54.45 112.977 -177.662 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 24.8 tp -117.36 137.67 52.3 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-O 121.014 0.435 . . . . 65.03 111.365 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -71.33 144.19 50.0 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-N 115.404 -0.816 . . . . 72.42 110.323 176.036 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -62.79 -43.9 97.59 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.85 0.357 . . . . 74.35 110.596 175.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . 0.419 ' HA ' ' HE2' ' A' ' 112' ' ' LYS . . . -55.6 -46.47 77.29 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 115.823 -0.626 . . . . 64.13 110.787 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . 0.415 ' O ' ' HG ' ' A' ' 114' ' ' LEU . . . -72.57 -39.88 67.06 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.959 -0.564 . . . . 73.25 110.25 179.296 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -55.37 -39.5 70.19 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.631 -0.713 . . . . 54.13 111.049 -178.591 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . 0.419 ' HE2' ' HA ' ' A' ' 109' ' ' ALA . 50.8 mtmt -51.29 -49.67 60.82 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.151 -0.477 . . . . 74.23 110.845 178.203 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' THR . . . . . 0.41 ' O ' ' HG2' ' A' ' 117' ' ' ARG . 0.7 OUTLIER -75.86 -39.62 56.24 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 116.132 -0.485 . . . . 74.22 110.65 -176.593 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.44 ' HA ' ' HD2' ' A' ' 117' ' ' ARG . 50.8 mt -60.48 -48.85 79.97 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 120.751 0.31 . . . . 61.01 110.538 -177.238 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 98.0 t -64.43 -32.64 58.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.846 -0.615 . . . . 72.22 110.187 177.579 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . 0.405 ' O ' ' HD2' ' A' ' 120' ' ' HIS . 26.5 t70 -65.56 -61.33 2.16 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 116.398 -0.364 . . . . 65.51 110.687 179.51 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . 0.44 ' HD2' ' HA ' ' A' ' 114' ' ' LEU . 2.0 ptp180 -58.59 -38.16 77.36 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-O 120.657 0.265 . . . . 65.24 110.88 -178.603 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -58.39 -44.51 88.96 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.238 0.542 . . . . 63.41 109.904 172.526 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 52.3 t60 -79.1 12.94 2.0 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-N 115.964 -0.562 . . . . 74.13 110.584 177.299 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . 0.405 ' HD2' ' O ' ' A' ' 116' ' ' ASP . 8.3 m-70 -108.12 -49.15 3.24 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 123.326 0.651 . . . . 75.14 109.43 169.89 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 32.0 m -92.38 -2.91 10.68 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.303 0 CA-C-N 115.762 -0.654 . . . . 74.54 111.739 -173.757 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' CYS . . . . . 0.514 ' N ' ' HD3' ' A' ' 123' ' ' PRO . 65.2 m -137.65 58.15 15.76 Favored Pre-proline 0 CA--C 1.536 0.433 0 CA-C-O 121.003 0.43 . . . . 72.12 110.921 176.536 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' PRO . . . . . 0.514 ' HD3' ' N ' ' A' ' 122' ' ' CYS . 43.0 Cg_endo -99.62 159.84 0.57 Allowed 'Trans proline' 0 N--CA 1.453 -0.896 0 C-N-CA 123.232 2.621 . . . . 75.04 112.398 176.736 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -90.13 -11.61 40.72 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.651 -0.5 . . . . 65.44 109.651 171.393 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 44.9 p 178.16 163.28 0.67 Allowed 'General case' 0 C--O 1.232 0.169 0 CA-C-N 115.308 -0.86 . . . . 65.33 109.34 177.363 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' ASN . . . . . 0.423 ' C ' ' H ' ' A' ' 128' ' ' THR . 1.7 m-20 -55.68 -31.23 62.24 Favored 'General case' 0 C--O 1.239 0.539 0 CA-C-O 121.972 0.891 . . . . 73.42 109.057 171.601 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -67.72 6.49 0.65 Allowed 'General case' 0 C--O 1.221 -0.441 0 CA-C-N 114.253 -1.339 . . . . 54.1 112.472 -178.409 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 128' ' ' THR . . . . . 0.423 ' H ' ' C ' ' A' ' 126' ' ' ASN . 6.0 t -88.86 -7.74 55.57 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 108.099 -1.075 . . . . 73.21 108.099 -172.411 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 4.2 ptp180 -146.06 -46.64 0.2 Allowed 'General case' 0 N--CA 1.441 -0.924 0 CA-C-N 114.562 -1.199 . . . . 72.04 111.856 -179.215 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 53.0 m-80 -72.19 -51.3 21.8 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.121 -0.491 . . . . 71.52 110.654 -175.024 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -84.92 -39.79 17.77 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.769 -0.651 . . . . 72.12 111.899 -173.738 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 61.9 t -110.52 137.15 44.13 Favored 'Isoleucine or valine' 0 C--O 1.235 0.341 0 CA-C-O 120.839 0.352 . . . . 70.22 110.665 -170.807 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -74.1 89.81 1.99 Allowed 'General case' 0 C--O 1.238 0.475 0 CA-C-O 121.657 0.741 . . . . 45.42 111.591 -177.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 40.2 t -105.71 102.48 13.92 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.766 0 CA-C-N 115.089 -0.959 . . . . 75.02 109.649 172.648 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . 0.62 ' HD3' ' HG2' ' A' ' 98' ' ' GLU . 75.9 ttt180 -71.77 97.12 1.72 Allowed 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 114.495 -1.23 . . . . 74.34 110.228 -177.865 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 59.3 mt -74.09 116.01 14.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.761 -0.654 . . . . 50.04 110.553 177.725 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . 0.456 ' O ' ' HA ' ' A' ' 100' ' ' ARG . 0.1 OUTLIER -126.41 114.82 39.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 115.534 -0.757 . . . . 74.42 109.859 -178.914 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 10.5 m -102.21 138.68 25.58 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.552 0 CA-C-O 121.506 0.67 . . . . 71.15 111.32 -177.688 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . 0.517 ' HB3' ' HA ' ' A' ' 102' ' ' ALA . . . . . . . . 0 C--N 1.313 -1.016 0 CA-C-N 114.346 -1.297 . . . . 73.13 110.697 -177.562 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 1' ' ' MET . . . . . 0.456 ' HE3' ' HA3' ' A' ' 86' ' ' GLY . 28.7 ptm . . . . . 0 C--O 1.234 0.28 0 CA-C-O 120.956 0.407 . . . . 72.42 110.843 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 53.8 t30 -96.06 85.19 3.97 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.781 -0.645 . . . . 61.35 109.839 -179.645 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . 0.457 HG23 ' HB2' ' B' ' 6' ' ' LYS . 30.4 mm -69.01 124.23 24.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-N 115.829 -0.623 . . . . 72.42 111.893 -179.143 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . 0.744 ' HG ' ' HD3' ' A' ' 87' ' ' PRO . 87.2 mt -77.37 -40.78 42.69 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.072 -0.967 . . . . 75.25 109.97 174.263 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 5' ' ' TYR . . . . . . . . . . . . . 47.3 t80 -152.2 138.08 18.05 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 115.952 -0.567 . . . . 75.45 110.973 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . 0.457 ' HB2' HG23 ' B' ' 3' ' ' ILE . 31.0 ttmt -137.78 129.36 28.19 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.992 0.425 . . . . 65.01 110.755 176.317 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 9.9 t -118.34 164.07 15.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.42 -0.809 . . . . 73.02 109.194 178.528 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -133.21 150.11 51.99 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-O 121.3 0.571 . . . . 64.22 111.885 -175.078 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . 0.406 ' HA ' ' HA ' ' B' ' 21' ' ' SER . . . -145.03 116.99 8.28 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.691 -0.686 . . . . 71.2 109.898 177.128 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 9.3 t -92.66 118.07 30.65 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.102 0.477 . . . . 64.31 109.889 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 21.4 p -114.76 117.92 32.13 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.346 -0.388 . . . . 74.14 110.601 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 4.8 m -93.7 156.05 16.91 Favored 'General case' 0 C--O 1.24 0.599 0 CA-C-N 116.279 -0.419 . . . . 73.24 110.923 -178.378 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -83.13 72.29 2.87 Favored Glycine 0 N--CA 1.444 -0.789 0 N-CA-C 111.371 -0.692 . . . . 71.12 111.371 176.13 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -66.44 -154.89 0.31 Allowed Glycine 0 C--N 1.335 0.498 0 C-N-CA 121.042 -0.599 . . . . 73.4 112.408 177.403 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 39.7 ttm180 -53.85 -46.39 71.22 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 120.79 0.329 . . . . 65.14 110.145 -178.049 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 16' ' ' ASP . . . . . 0.495 ' HB3' ' HA ' ' B' ' 31' ' ' SER . 11.0 t70 -125.75 -43.34 1.86 Allowed 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 109.914 -0.402 . . . . 65.33 109.914 171.671 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 17' ' ' GLY . . . . . 0.501 ' O ' ' HG3' ' B' ' 29' ' ' LYS . . . -171.04 156.49 26.61 Favored Glycine 0 C--N 1.345 1.05 0 C-N-CA 120.465 -0.874 . . . . 74.22 111.446 164.25 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 18' ' ' ARG . . . . . 0.594 ' HA ' ' HA ' ' B' ' 29' ' ' LYS . 0.0 OUTLIER -139.78 134.66 32.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 117.339 0.57 . . . . 74.4 109.797 178.816 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -133.8 128.0 33.84 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 120.74 0.305 . . . . 64.31 111.44 -175.784 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 89.2 m -133.69 117.19 16.69 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.265 -0.425 . . . . 75.11 110.267 177.263 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 21' ' ' SER . . . . . 0.56 ' HB3' ' N ' ' B' ' 26' ' ' LEU . 14.9 t -73.77 113.58 11.08 Favored 'General case' 0 C--O 1.247 0.945 0 N-CA-C 108.467 -0.938 . . . . 74.21 108.467 175.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 22' ' ' HIS . . . . . 0.473 ' C ' ' H ' ' B' ' 24' ' ' GLN . 11.4 t-80 -49.98 -32.7 15.72 Favored 'General case' 0 N--CA 1.469 0.481 0 O-C-N 126.302 2.252 . . . . 73.12 112.984 -170.728 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -80.11 19.46 0.73 Allowed 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.194 0.521 . . . . 63.54 109.765 -175.404 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 24' ' ' GLN . . . . . 0.473 ' H ' ' C ' ' B' ' 22' ' ' HIS . 27.8 mm-40 65.77 21.91 11.51 Favored 'General case' 0 CA--C 1.519 -0.242 0 CA-C-N 115.029 -0.987 . . . . 71.43 109.43 178.832 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . 0.514 ' HB2' ' OG ' ' B' ' 21' ' ' SER . 9.7 mmpt? -80.66 -30.87 36.51 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 114.794 -1.094 . . . . 41.25 109.89 178.439 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . 0.56 ' N ' ' HB3' ' B' ' 21' ' ' SER . 56.9 tp -149.59 148.61 29.55 Favored 'General case' 0 C--N 1.345 0.412 0 C-N-CA 119.92 -0.712 . . . . 73.34 111.191 -177.094 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -158.26 90.86 1.06 Allowed 'General case' 0 N--CA 1.465 0.288 0 O-C-N 123.61 0.569 . . . . 53.33 109.754 174.175 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 28' ' ' VAL . . . . . 0.443 HG21 HD13 ' B' ' 26' ' ' LEU . 5.9 m -146.53 178.1 1.19 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.436 0 CA-C-O 121.473 0.654 . . . . 74.12 111.783 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . 0.594 ' HA ' ' HA ' ' B' ' 18' ' ' ARG . 21.5 tttm -126.29 140.93 52.14 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 114.72 -1.127 . . . . 74.12 109.513 176.863 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . 0.532 ' HA ' ' H ' ' B' ' 44' ' ' THR . 0.0 OUTLIER -121.74 165.16 16.24 Favored 'General case' 0 C--O 1.257 1.472 0 CA-C-O 121.089 0.471 . . . . 72.32 110.201 178.129 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 31' ' ' SER . . . . . 0.495 ' HA ' ' HB3' ' B' ' 16' ' ' ASP . 50.1 m -162.18 129.33 3.81 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 115.389 -0.823 . . . . 62.35 111.479 -171.412 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -66.18 145.66 99.0 Favored Pre-proline 0 N--CA 1.453 -0.305 0 CA-C-N 116.011 -0.54 . . . . 75.13 109.815 172.739 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 33' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -68.26 4.83 1.4 Allowed 'Trans proline' 0 C--N 1.348 0.543 0 C-N-CA 122.833 2.356 . . . . 72.21 113.001 -175.279 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 34' ' ' ARG . . . . . 0.534 ' HB2' ' CA ' ' B' ' 40' ' ' GLY . 0.0 OUTLIER 76.23 -42.35 0.44 Allowed 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 123.667 0.787 . . . . 71.43 111.255 177.541 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 16.3 tp10 -43.73 -31.45 0.8 Allowed 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 123.611 0.765 . . . . 72.42 112.969 -173.211 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . 0.528 ' HG ' HD13 ' B' ' 85' ' ' ILE . 1.6 mm? -95.88 -37.41 10.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.888 0.375 . . . . 63.52 110.31 -177.743 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 153.39 54.67 0.01 OUTLIER Glycine 0 C--N 1.331 0.275 0 CA-C-N 115.929 -0.578 . . . . 51.22 112.632 179.629 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -122.68 -139.01 5.44 Favored Glycine 0 N--CA 1.449 -0.477 0 N-CA-C 111.148 -0.781 . . . . 64.12 111.148 176.386 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -118.54 -11.34 9.93 Favored 'General case' 0 C--N 1.322 -0.629 0 C-N-CA 122.242 0.217 . . . . 71.25 111.557 -178.236 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 40' ' ' GLY . . . . . 0.534 ' CA ' ' HB2' ' B' ' 34' ' ' ARG . . . 54.3 64.08 4.61 Favored Glycine 0 C--N 1.334 0.42 0 CA-C-N 116.324 -0.398 . . . . 53.13 112.933 -178.281 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . 0.463 ' HB2' ' OG ' ' B' ' 31' ' ' SER . . . -114.75 172.15 7.21 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.019 0.437 . . . . 75.21 111.635 -177.056 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -66.55 77.29 0.11 Allowed 'General case' 0 CA--C 1.538 0.495 0 CA-C-N 115.441 -0.799 . . . . 74.14 111.226 177.541 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -159.57 -178.51 33.64 Favored Glycine 0 N--CA 1.453 -0.183 0 C-N-CA 120.533 -0.841 . . . . 72.12 113.107 177.701 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 44' ' ' THR . . . . . 0.532 ' H ' ' HA ' ' B' ' 30' ' ' LEU . 30.3 m -90.6 140.57 29.63 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 110.171 -0.307 . . . . 70.51 110.171 -178.763 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 45' ' ' ASN . . . . . 0.736 ' HB2' ' HB3' ' B' ' 48' ' ' GLN . 1.3 m-20 -61.07 138.66 94.3 Favored Pre-proline 0 C--N 1.328 -0.339 0 N-CA-C 109.63 -0.507 . . . . 71.14 109.63 178.325 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 46' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -58.03 -50.24 10.64 Favored 'Trans proline' 0 C--N 1.348 0.551 0 C-N-CA 122.655 2.237 . . . . 54.41 112.528 -179.541 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 47' ' ' GLU . . . . . 0.42 ' OE1' ' HB3' ' B' ' 45' ' ' ASN . 0.0 OUTLIER -64.05 -43.06 96.67 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-O 120.811 0.338 . . . . 73.03 110.148 179.693 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . 0.736 ' HB3' ' HB2' ' B' ' 45' ' ' ASN . 33.2 tt0 -59.1 -43.34 91.85 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.697 -0.683 . . . . 65.22 111.511 176.891 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -61.92 -48.25 81.3 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.43 -0.582 . . . . 73.15 109.43 179.709 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 20.1 t80 -60.8 -44.39 96.9 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.432 -0.804 . . . . 74.53 111.118 177.298 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . 0.422 ' HB1' HG13 ' B' ' 83' ' ' VAL . . . -53.58 -50.8 64.82 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.206 -0.452 . . . . 63.22 110.662 177.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -58.94 -45.99 89.08 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 115.693 -0.685 . . . . 74.31 110.684 178.354 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -64.63 -37.6 94.6 Favored Glycine 0 CA--C 1.52 0.393 0 CA-C-N 115.83 -0.623 . . . . 73.22 112.657 -179.549 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -72.1 -40.79 67.93 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 122.507 0.323 . . . . 73.43 110.168 -177.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 55' ' ' SER . . . . . 0.568 ' HB3' ' HB2' ' B' ' 81' ' ' ALA . 17.6 p -64.79 -46.19 83.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.879 0.371 . . . . 71.55 110.189 178.149 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 56' ' ' ALA . . . . . 0.474 ' HB2' HD21 ' A' ' 30' ' ' LEU . . . -62.77 -44.66 95.61 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 116.025 -0.534 . . . . 72.32 110.556 176.81 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 57' ' ' CYS . . . . . 0.454 ' HB2' ' HB3' ' A' ' 46' ' ' PRO . 39.1 t -61.15 -40.95 95.77 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.671 -0.695 . . . . 72.4 110.478 178.594 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 31.8 t80 -64.79 -36.49 84.47 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 116.044 -0.525 . . . . 61.11 109.924 -177.024 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 6.1 tt -69.72 -49.54 52.29 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 115.922 -0.581 . . . . 73.31 110.18 -179.139 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 60' ' ' SER . . . . . 0.546 ' O ' ' HB3' ' B' ' 63' ' ' LYS . 25.6 t -64.87 -41.59 95.53 Favored 'General case' 0 C--O 1.237 0.446 0 CA-C-O 121.228 0.537 . . . . 73.23 110.384 -179.433 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -64.66 -44.28 90.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 44.1 110.244 177.526 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 62' ' ' MET . . . . . 0.656 ' HA ' ' HE3' ' B' ' 62' ' ' MET . 3.2 tpt -59.69 -37.18 78.11 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-O 121.3 0.572 . . . . 71.0 109.706 176.852 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . 0.546 ' HB3' ' O ' ' B' ' 60' ' ' SER . 80.6 tttt -58.9 -50.62 73.34 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 115.105 -0.952 . . . . 72.03 110.303 175.635 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 81.6 t80 -63.85 -44.54 92.86 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 116.313 -0.403 . . . . 73.11 110.931 178.448 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 44.1 t -56.28 -41.77 71.74 Favored 'Isoleucine or valine' 0 C--O 1.235 0.301 0 CA-C-N 116.086 -0.506 . . . . 75.05 110.976 -179.64 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -54.19 -32.95 56.99 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.013 0.435 . . . . 74.13 110.552 177.711 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -72.07 -26.2 72.94 Favored Glycine 0 N--CA 1.451 -0.308 0 CA-C-N 115.577 -0.738 . . . . 75.04 112.679 -177.128 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -99.1 -14.71 19.28 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 121.277 0.561 . . . . 64.5 109.509 179.16 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -94.54 -5.34 46.19 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.363 -0.835 . . . . 65.21 110.514 176.831 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 70' ' ' LYS . . . . . 0.48 ' HD3' ' N ' ' B' ' 70' ' ' LYS . 11.7 mmtp 67.07 24.23 9.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.229 -0.896 . . . . 73.12 110.859 173.5 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -112.48 168.04 9.97 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.568 -0.742 . . . . 74.24 110.11 178.789 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 1.2 p -127.15 134.68 50.15 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.923 -0.581 . . . . 74.12 110.207 -179.576 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 73' ' ' LEU . . . . . 0.502 HD13 ' HG3' ' B' ' 62' ' ' MET . 87.9 mt -109.3 144.76 30.42 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 116.371 -0.377 . . . . 75.15 110.996 -176.632 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 74' ' ' PRO . . . . . 0.632 ' HD2' HD13 ' B' ' 103' ' ' LEU . 24.6 Cg_exo -64.3 120.55 7.91 Favored 'Trans proline' 0 C--N 1.349 0.571 0 C-N-CA 122.596 2.197 . . . . 74.32 111.37 174.049 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -76.92 -3.6 39.59 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.907 0.384 . . . . 71.53 111.264 -177.158 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -91.77 10.23 29.33 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-O 121.382 0.61 . . . . 60.22 110.736 -179.393 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 77' ' ' THR . . . . . 0.484 ' HB ' HD12 ' B' ' 103' ' ' LEU . 9.1 t -80.79 172.75 13.36 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.933 -0.576 . . . . 73.25 112.204 -176.33 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 22.2 m -152.0 149.25 28.68 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 115.887 -0.597 . . . . 71.23 110.4 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 96.6 t -127.0 125.13 65.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 N-CA-C 109.867 -0.42 . . . . 54.24 109.867 176.72 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 80' ' ' THR . . . . . 0.472 ' HB ' ' HB2' ' B' ' 100' ' ' ARG . 24.2 m -110.7 113.57 26.27 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.118 -0.492 . . . . 75.2 110.253 -179.764 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 81' ' ' ALA . . . . . 0.568 ' HB2' ' HB3' ' B' ' 55' ' ' SER . . . -93.25 107.87 19.61 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.439 -0.346 . . . . 73.43 110.367 -178.748 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -102.25 115.47 30.62 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.519 -0.549 . . . . 71.23 109.519 178.232 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . 0.422 HG13 ' HB1' ' B' ' 51' ' ' ALA . 16.7 m -117.35 140.68 39.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 121.004 0.431 . . . . 71.44 111.1 -177.491 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 84' ' ' GLY . . . . . . . . . . . . . . . -132.01 149.09 19.31 Favored Glycine 0 N--CA 1.442 -0.904 0 N-CA-C 111.263 -0.735 . . . . 52.45 111.263 175.048 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 85' ' ' ILE . . . . . 0.528 HD13 ' HG ' ' B' ' 36' ' ' LEU . 0.0 OUTLIER -123.28 130.91 74.01 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 N-CA-C 109.258 -0.645 . . . . 73.1 109.258 -179.876 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 86' ' ' GLY . . . . . 0.546 ' HA2' ' HG ' ' A' ' 4' ' ' LEU . . . -141.63 170.29 24.84 Favored Glycine 0 C--N 1.332 0.315 0 O-C-N 124.033 0.833 . . . . 52.3 111.151 -176.08 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 87' ' ' PRO . . . . . 0.636 ' HD3' ' HG ' ' A' ' 4' ' ' LEU . 7.3 Cg_endo -81.24 126.18 5.47 Favored 'Trans proline' 0 N--CA 1.455 -0.751 0 C-N-CA 122.528 2.152 . . . . 70.05 112.05 -175.041 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 88' ' ' ASN . . . . . . . . . . . . . 54.0 t-20 -76.22 130.91 38.9 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 108.872 -0.788 . . . . 72.3 108.872 176.531 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -61.24 -15.21 32.27 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.953 0.406 . . . . 71.21 110.979 -177.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -67.18 -17.49 64.86 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 115.836 -0.62 . . . . 74.05 110.895 177.023 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.61 35.34 3.31 Favored Glycine 0 N--CA 1.454 -0.115 0 CA-C-N 115.972 -0.558 . . . . 72.2 111.767 -176.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . -150.05 -149.51 5.03 Favored Glycine 0 C--N 1.33 0.228 0 N-CA-C 111.325 -0.71 . . . . 70.13 111.325 178.184 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 93' ' ' PHE . . . . . . . . . . . . . 68.0 m-85 -111.48 162.88 14.63 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 117.054 0.427 . . . . 73.12 110.456 177.798 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -149.21 142.36 24.98 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.832 -0.622 . . . . 62.21 110.154 -179.172 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -102.6 149.19 24.67 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-O 121.052 0.453 . . . . 74.21 110.687 178.764 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 96' ' ' ASP . . . . . . . . . . . . . 48.5 t0 -137.04 110.18 7.77 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 108.093 -1.077 . . . . 73.53 108.093 175.636 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 97' ' ' VAL . . . . . 0.433 HG12 HG12 ' B' ' 134' ' ' VAL . 2.6 p -113.98 116.52 52.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 121.706 0.765 . . . . 65.34 111.514 -173.155 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 98' ' ' GLU . . . . . 0.542 ' HG2' ' HB2' ' B' ' 135' ' ' ARG . 49.6 mt-10 -104.41 113.55 27.18 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 114.839 -1.073 . . . . 74.42 109.433 178.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 90.5 mt -94.58 116.97 29.4 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.037 -0.528 . . . . 75.14 110.125 -177.617 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 100' ' ' ARG . . . . . 0.562 ' HA ' ' O ' ' B' ' 137' ' ' VAL . 98.5 mtt180 -99.03 120.13 38.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.093 -0.503 . . . . 70.24 110.112 -177.646 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 101' ' ' VAL . . . . . . . . . . . . . 83.9 t -105.33 112.3 38.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 115.537 -0.756 . . . . 60.12 110.646 -177.564 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -107.23 100.96 10.38 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.624 -0.509 . . . . 53.32 109.624 174.512 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 103' ' ' LEU . . . . . 0.807 HD22 HD22 ' B' ' 106' ' ' LEU . 23.7 tp -114.02 116.61 44.73 Favored Pre-proline 0 C--N 1.327 -0.383 0 N-CA-C 108.334 -0.987 . . . . 72.24 108.334 -179.433 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 104' ' ' PRO . . . . . 0.496 ' HD2' HD12 ' B' ' 103' ' ' LEU . 61.6 Cg_endo -71.19 145.72 49.71 Favored 'Trans proline' 0 N--CA 1.462 -0.324 0 C-N-CA 122.472 2.114 . . . . 74.24 113.664 -169.054 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 105' ' ' GLY . . . . . . . . . . . . . . . 70.57 14.86 72.71 Favored Glycine 0 CA--C 1.519 0.313 0 CA-C-N 114.693 -1.139 . . . . 72.34 112.76 -179.8 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 106' ' ' LEU . . . . . 0.807 HD22 HD22 ' B' ' 103' ' ' LEU . 30.9 tp -115.09 140.28 49.19 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-O 121.183 0.516 . . . . 65.44 111.927 -175.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -76.01 144.57 40.8 Favored 'General case' 0 N--CA 1.462 0.134 0 CA-C-N 115.529 -0.76 . . . . 63.12 110.242 174.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -64.03 -36.86 85.37 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.921 0.391 . . . . 74.55 110.824 -179.771 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -60.52 -51.39 69.66 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.089 -0.505 . . . . 64.51 110.462 179.288 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 110' ' ' ALA . . . . . 0.485 ' O ' HG23 ' B' ' 113' ' ' THR . . . -66.69 -37.76 85.39 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-O 121.21 0.528 . . . . 72.03 110.22 178.409 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 111' ' ' ALA . . . . . 0.445 ' HA ' HD23 ' B' ' 106' ' ' LEU . . . -57.01 -41.2 78.1 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.667 -0.697 . . . . 64.14 110.978 179.758 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 112' ' ' LYS . . . . . . . . . . . . . 59.5 mttp -54.94 -35.48 64.26 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 116.247 -0.433 . . . . 74.45 111.356 178.142 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 113' ' ' THR . . . . . 0.485 HG23 ' O ' ' B' ' 110' ' ' ALA . 0.6 OUTLIER -82.25 -35.78 27.78 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-O 120.727 0.299 . . . . 72.03 110.608 179.326 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 58.8 mt -66.8 -45.26 78.95 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-O 120.852 0.358 . . . . 72.05 110.799 -178.526 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 115' ' ' VAL . . . . . 0.489 HG22 HG13 ' B' ' 138' ' ' VAL . 57.8 t -65.72 -32.4 58.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 121.087 0.47 . . . . 63.55 110.128 177.283 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -60.32 -61.18 2.79 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.768 -0.651 . . . . 75.43 110.585 177.509 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 117' ' ' ARG . . . . . 0.413 ' HG2' ' O ' ' B' ' 113' ' ' THR . 7.0 ptm180 -61.52 -36.39 80.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.663 -0.699 . . . . 70.2 110.787 -178.292 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 118' ' ' ALA . . . . . 0.628 ' HB1' ' SD ' ' B' ' 62' ' ' MET . . . -65.04 -47.34 77.72 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.493 -0.776 . . . . 61.11 111.241 178.639 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -74.77 -0.32 17.85 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-O 120.794 0.33 . . . . 74.31 111.024 -174.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 15.0 t60 -65.93 -44.17 85.89 Favored 'General case' 0 C--N 1.332 -0.196 0 N-CA-C 108.824 -0.806 . . . . 73.32 108.824 173.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 23.5 m -89.89 59.58 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.34 -0.846 . . . . 73.14 109.468 175.664 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 122' ' ' CYS . . . . . 0.403 ' HA ' ' HD3' ' B' ' 123' ' ' PRO . 41.8 t -65.13 114.99 17.33 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 115.119 -0.946 . . . . 74.53 109.982 -177.76 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 123' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' B' ' 122' ' ' CYS . 53.1 Cg_exo -55.07 -50.71 12.23 Favored 'Trans proline' 0 C--N 1.352 0.713 0 C-N-CA 123.248 2.632 . . . . 65.25 113.125 -173.168 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 124' ' ' TYR . . . . . 0.723 ' HB3' HG23 ' B' ' 128' ' ' THR . 23.3 t80 . . . . . 0 CA--C 1.534 0.355 0 CA-C-N 116.475 -0.329 . . . . 65.35 110.69 -176.316 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 128' ' ' THR . . . . . 0.723 HG23 ' HB3' ' B' ' 124' ' ' TYR . 1.4 t . . . . . 0 N--CA 1.457 -0.083 0 N-CA-C 109.494 -0.558 . . . . 64.4 109.494 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 129' ' ' ARG . . . . . 0.426 ' HG3' ' N ' ' B' ' 130' ' ' ASN . 13.3 ptm180 -121.95 -43.89 2.33 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-N 115.597 -0.728 . . . . 75.21 110.38 178.447 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 130' ' ' ASN . . . . . 0.426 ' N ' ' HG3' ' B' ' 129' ' ' ARG . 13.7 m120 -78.48 -51.99 9.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.078 -0.51 . . . . 74.14 110.323 178.901 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 131' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -73.56 -43.98 58.53 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.937 -0.574 . . . . 75.43 110.519 -178.609 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 132' ' ' VAL . . . . . . . . . . . . . 55.9 t -86.18 144.93 8.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.939 -0.573 . . . . 62.31 109.839 178.77 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 133' ' ' ALA . . . . . 0.637 ' HB3' ' NH1' ' B' ' 135' ' ' ARG . . . -78.97 101.38 7.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.97 0.414 . . . . 72.23 111.334 -176.767 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 134' ' ' VAL . . . . . 0.433 HG12 HG12 ' B' ' 97' ' ' VAL . 6.8 t -120.88 134.77 63.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 115.751 -0.659 . . . . 64.53 110.611 178.748 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 135' ' ' ARG . . . . . 0.637 ' NH1' ' HB3' ' B' ' 133' ' ' ALA . 1.7 mpt_? -114.38 120.49 40.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.119 -0.492 . . . . 74.32 110.017 175.64 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 136' ' ' LEU . . . . . 0.413 HD13 HG13 ' B' ' 115' ' ' VAL . 72.8 mt -87.16 107.08 18.3 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.336 0.589 . . . . 72.41 110.879 178.494 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 137' ' ' VAL . . . . . 0.562 ' O ' ' HA ' ' B' ' 100' ' ' ARG . 0.2 OUTLIER -112.14 115.18 49.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.256 -0.884 . . . . 74.23 110.105 -179.035 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 138' ' ' VAL . . . . . 0.489 HG13 HG22 ' B' ' 115' ' ' VAL . 2.8 m -98.56 138.48 23.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.846 -0.616 . . . . 70.52 110.12 -177.663 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 139' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.292 0 CA-C-N 115.722 -0.672 . . . . 71.35 110.903 -176.038 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.413 ' HE3' ' HB1' ' B' ' 94' ' ' ALA . 16.9 ptt? . . . . . 0 N--CA 1.484 1.227 0 N-CA-C 110.027 -0.36 . . . . 71.43 110.027 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 53.5 t30 -70.62 71.78 0.5 Allowed 'General case' 0 CA--C 1.534 0.327 0 CA-C-O 121.364 0.602 . . . . 75.52 110.496 175.62 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.508 HG21 ' HB2' ' A' ' 6' ' ' LYS . 24.8 mm -75.9 134.03 29.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.803 -0.635 . . . . 51.02 111.497 177.594 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.702 ' HG ' ' HA2' ' B' ' 86' ' ' GLY . 60.8 mt -88.62 -46.83 8.74 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.215 -0.902 . . . . 74.21 109.092 171.014 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 42.3 t80 -139.7 132.61 29.3 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 115.872 -0.604 . . . . 73.42 110.255 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.508 ' HB2' HG21 ' A' ' 3' ' ' ILE . 30.0 ttmt -139.48 134.41 32.24 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.74 0.305 . . . . 62.42 110.391 175.614 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 15.2 t -143.13 170.58 15.45 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.615 -0.513 . . . . 73.02 109.615 177.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.509 ' HA ' ' HA ' ' B' ' 82' ' ' GLU . . . -133.83 156.47 47.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.287 0.565 . . . . 64.34 112.33 -173.866 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -132.6 121.39 23.14 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.348 -0.842 . . . . 73.03 108.879 171.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.462 ' HA ' ' HA ' ' B' ' 80' ' ' THR . 8.1 t -100.27 120.63 40.21 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.715 -0.476 . . . . 73.43 109.715 -176.042 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 97.7 p -103.57 120.5 41.01 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.032 -0.531 . . . . 74.42 110.178 -179.636 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.605 ' HA ' HG23 ' B' ' 78' ' ' THR . 3.3 m -96.71 156.79 16.19 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.432 -0.349 . . . . 72.12 110.165 179.146 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -75.1 66.15 2.22 Favored Glycine 0 N--CA 1.443 -0.867 0 C-N-CA 120.91 -0.662 . . . . 62.44 112.626 176.285 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -63.17 -165.24 0.6 Allowed Glycine 0 C--N 1.34 0.766 0 C-N-CA 120.808 -0.711 . . . . 62.02 111.994 171.574 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 96.0 mtt180 -47.38 -48.18 25.95 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 116.941 0.371 . . . . 73.04 111.1 -176.608 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.54 ' HB3' ' HA ' ' A' ' 31' ' ' SER . 23.4 t0 -125.79 -43.0 1.88 Allowed 'General case' 0 CA--C 1.515 -0.401 0 N-CA-C 109.37 -0.604 . . . . 74.22 109.37 166.843 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -158.85 147.95 16.27 Favored Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 119.504 -1.332 . . . . 73.12 112.475 169.209 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 45.5 ttp180 -123.28 144.38 49.45 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.459 -0.941 . . . . 73.24 108.459 172.019 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -136.42 123.78 21.98 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.818 -0.438 . . . . 71.12 109.818 -177.596 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.404 ' HA ' ' O ' ' A' ' 26' ' ' LEU . 11.2 m -130.76 114.3 15.18 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.261 -0.427 . . . . 65.23 110.497 -176.317 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.594 ' CB ' ' HB3' ' A' ' 26' ' ' LEU . 35.9 t -66.6 108.03 2.3 Favored 'General case' 0 C--O 1.254 1.33 0 N-CA-C 107.418 -1.327 . . . . 62.3 107.418 175.679 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 30.8 t-80 -62.99 -9.07 8.62 Favored 'General case' 0 C--N 1.349 0.576 0 O-C-N 126.703 2.502 . . . . 71.44 111.603 -171.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.428 ' OD1' ' HE3' ' A' ' 25' ' ' LYS . 27.7 t70 -79.72 8.43 6.67 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 108.204 -1.035 . . . . 73.43 108.204 173.723 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 29.9 mm-40 70.95 28.92 3.12 Favored 'General case' 0 CA--C 1.516 -0.331 0 CA-C-N 114.3 -1.318 . . . . 72.53 110.597 172.455 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.428 ' HE3' ' OD1' ' A' ' 23' ' ' ASP . 18.6 ptpt -117.47 -10.12 10.73 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.839 -0.618 . . . . 73.44 112.348 -179.363 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.594 ' HB3' ' CB ' ' A' ' 21' ' ' SER . 59.9 tp -140.78 139.94 34.68 Favored 'General case' 0 C--O 1.219 -0.515 0 C-N-CA 118.246 -1.381 . . . . 74.42 111.766 177.405 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -152.65 98.46 2.35 Favored 'General case' 0 C--O 1.235 0.299 0 N-CA-C 109.01 -0.737 . . . . 74.5 109.01 173.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 2.9 m -135.65 177.97 5.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.611 -0.722 . . . . 62.12 111.344 -177.538 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 11.6 ttpp -138.28 137.7 37.72 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.533 -0.758 . . . . 62.42 110.357 -179.115 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.587 ' HA ' ' H ' ' A' ' 44' ' ' THR . 0.0 OUTLIER -125.87 164.47 20.67 Favored 'General case' 0 C--O 1.255 1.357 0 CA-C-N 115.892 -0.595 . . . . 73.21 110.382 178.229 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.54 ' HA ' ' HB3' ' A' ' 16' ' ' ASP . 29.7 m -161.64 137.22 7.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.18 -0.918 . . . . 75.34 110.355 -174.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -80.93 117.19 66.97 Favored Pre-proline 0 C--O 1.241 0.629 0 CA-C-N 116.126 -0.488 . . . . 52.21 109.962 174.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 81.3 Cg_exo -47.5 139.52 17.4 Favored 'Trans proline' 0 C--N 1.35 0.649 0 C-N-CA 122.762 2.308 . . . . 73.33 111.451 176.616 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.495 ' HB2' ' CA ' ' A' ' 40' ' ' GLY . 12.0 ttt180 -78.67 9.66 3.92 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.783 0.325 . . . . 64.52 111.607 -170.241 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -51.57 -43.92 62.58 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.825 -0.625 . . . . 75.14 111.173 -178.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 55.7 mt -108.91 29.69 7.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.762 -0.654 . . . . 73.53 110.988 -174.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 79.65 49.17 6.26 Favored Glycine 0 C--N 1.331 0.285 0 C-N-CA 120.824 -0.703 . . . . 72.22 112.01 -178.169 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -103.24 -133.66 8.04 Favored Glycine 0 N--CA 1.453 -0.207 0 N-CA-C 112.114 -0.394 . . . . 73.44 112.114 -178.162 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -102.09 -42.02 6.22 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.977 0.418 . . . . 63.22 110.844 -177.814 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.495 ' CA ' ' HB2' ' A' ' 34' ' ' ARG . . . 75.21 92.67 0.17 Allowed Glycine 0 N--CA 1.449 -0.463 0 CA-C-N 115.855 -0.611 . . . . 45.53 112.31 -175.82 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.426 ' HB2' ' CB ' ' A' ' 31' ' ' SER . . . -161.87 176.5 10.77 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.024 0.44 . . . . 51.12 111.124 178.818 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -77.5 2.43 16.31 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 115.247 -0.888 . . . . 71.23 111.206 -178.033 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -68.08 175.46 28.0 Favored Glycine 0 C--O 1.237 0.327 0 CA-C-N 115.781 -0.645 . . . . 55.55 113.495 -172.805 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.587 ' H ' ' HA ' ' A' ' 30' ' ' LEU . 9.5 m -95.02 158.22 15.56 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.785 -0.45 . . . . 74.01 109.785 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 9.7 m120 -79.52 124.08 84.01 Favored Pre-proline 0 CA--C 1.534 0.328 0 N-CA-C 110.194 -0.298 . . . . 72.33 110.194 179.05 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -56.05 -51.39 9.64 Favored 'Trans proline' 0 CA--C 1.537 0.632 0 C-N-CA 122.872 2.381 . . . . 63.04 112.85 178.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -56.98 -38.35 72.91 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-O 121.257 0.551 . . . . 62.13 110.068 179.682 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.444 ' OE1' ' HB2' ' B' ' 21' ' ' SER . 0.9 OUTLIER -62.29 -40.54 96.61 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 115.56 -0.745 . . . . 74.41 109.898 176.358 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.44 HD12 ' HA3' ' B' ' 53' ' ' GLY . 2.6 tm? -62.14 -44.23 97.09 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.485 -0.561 . . . . 71.11 109.485 -178.521 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 54.6 t80 -63.61 -47.83 79.81 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.487 -0.324 . . . . 65.21 110.771 176.533 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.473 ' HB3' ' HB2' ' A' ' 81' ' ' ALA . . . -57.41 -52.72 64.21 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 116.21 -0.45 . . . . 52.03 110.988 -179.345 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.64 -35.3 79.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.893 -0.594 . . . . 73.32 110.513 179.467 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -63.57 -41.78 99.06 Favored Glycine 0 N--CA 1.449 -0.447 0 N-CA-C 111.624 -0.59 . . . . 45.35 111.624 175.793 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -60.46 -54.56 44.02 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.529 -0.545 . . . . 74.55 109.529 178.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 27.4 p -63.42 -37.83 88.79 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.251 -0.431 . . . . 73.1 111.038 -177.516 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.27 -42.45 88.44 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-O 121.01 0.433 . . . . 72.41 110.666 177.616 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 74.0 m -66.07 -36.44 83.21 Favored 'General case' 0 C--N 1.332 -0.163 0 N-CA-C 109.46 -0.571 . . . . 74.4 109.46 177.251 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 44.5 t80 -60.33 -33.29 72.19 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.208 -0.905 . . . . 74.24 110.462 -178.814 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -63.83 -56.5 14.94 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 115.895 -0.593 . . . . 74.12 109.586 179.351 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.511 ' O ' ' HB3' ' A' ' 63' ' ' LYS . 4.1 t -66.85 -28.19 68.15 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-N 116.127 -0.488 . . . . 74.4 109.963 -178.863 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.34 -45.9 82.36 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-N 116.172 -0.467 . . . . 64.15 109.982 176.196 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 75.0 mmm -61.8 -31.2 71.41 Favored 'General case' 0 N--CA 1.461 0.109 0 CA-C-N 115.868 -0.605 . . . . 61.32 110.316 176.488 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.511 ' HB3' ' O ' ' A' ' 60' ' ' SER . 23.4 ttmt -61.65 -51.97 66.29 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.622 -0.51 . . . . 62.32 109.622 174.017 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 45.2 t80 -57.71 -42.84 84.58 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 115.872 -0.604 . . . . 70.35 110.493 178.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 72.4 t -61.8 -50.42 80.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.109 -0.496 . . . . 51.41 110.717 178.155 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.496 ' HA ' ' HG3' ' A' ' 71' ' ' GLN . . . -60.34 -31.01 69.9 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.998 -0.546 . . . . 55.45 110.269 179.741 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -74.5 -27.0 66.34 Favored Glycine 0 N--CA 1.451 -0.326 0 CA-C-N 115.152 -0.931 . . . . 65.01 112.216 -176.533 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -95.24 -21.95 18.12 Favored 'General case' 0 CA--C 1.521 -0.141 0 N-CA-C 109.233 -0.654 . . . . 73.33 109.233 -179.259 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 24.2 m-80 -95.65 4.15 53.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.28 -0.873 . . . . 73.35 111.431 -179.366 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.42 ' N ' ' HD3' ' A' ' 70' ' ' LYS . 21.2 mmtm 58.86 30.64 20.37 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.678 -0.692 . . . . 70.5 110.598 173.302 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.496 ' HG3' ' HA ' ' A' ' 66' ' ' ALA . 2.9 pt20 -116.9 167.65 10.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.665 -0.698 . . . . 65.11 110.005 179.608 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 12.8 p -132.2 126.13 32.81 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.125 -0.489 . . . . 71.13 110.861 -177.116 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -109.5 140.17 21.85 Favored Pre-proline 0 CA--C 1.535 0.377 0 CA-C-N 115.993 -0.549 . . . . 64.52 110.498 -179.696 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . 0.451 ' HB2' ' HG2' ' A' ' 104' ' ' PRO . 52.6 Cg_exo -58.24 135.72 70.03 Favored 'Trans proline' 0 C--N 1.348 0.519 0 C-N-CA 123.161 2.574 . . . . 75.32 113.125 -178.503 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -77.18 1.29 18.81 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 120.962 0.411 . . . . 74.43 111.77 179.146 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -91.0 7.61 39.47 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.433 0.635 . . . . 72.44 110.42 179.192 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.507 ' HB ' HD11 ' A' ' 103' ' ' LEU . 8.1 t -77.11 159.24 29.94 Favored 'General case' 0 C--O 1.238 0.449 0 CA-C-N 115.59 -0.732 . . . . 74.0 111.742 -177.751 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 32.3 m -153.5 149.33 27.59 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.847 -0.615 . . . . 72.13 110.006 -179.395 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 90.9 t -127.35 133.41 68.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 N-CA-C 109.345 -0.613 . . . . 73.54 109.345 177.539 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' THR . . . . . 0.448 ' HB ' ' HB3' ' A' ' 100' ' ' ARG . 19.5 m -109.96 112.64 24.77 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.433 -0.349 . . . . 61.0 110.529 -179.181 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.473 ' HB2' ' HB3' ' A' ' 51' ' ' ALA . . . -93.52 109.2 20.81 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.999 -0.546 . . . . 75.0 109.775 176.023 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.437 ' HB3' ' HB3' ' A' ' 98' ' ' GLU . 31.3 tt0 -106.79 107.74 18.91 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.399 -0.593 . . . . 75.53 109.399 -178.392 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.549 HG23 HG21 ' A' ' 97' ' ' VAL . 10.9 p -109.53 140.31 28.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 120.922 0.392 . . . . 74.25 111.224 -175.163 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . 0.427 ' HA2' ' HA ' ' B' ' 6' ' ' LYS . . . -145.47 170.0 26.9 Favored Glycine 0 N--CA 1.446 -0.654 0 CA-C-N 115.984 -0.553 . . . . 64.22 112.106 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.432 HD12 ' CD2' ' A' ' 93' ' ' PHE . 0.0 OUTLIER -145.94 135.61 17.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 N-CA-C 109.801 -0.444 . . . . 71.32 109.801 -178.044 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -143.99 169.94 26.03 Favored Glycine 0 CA--C 1.52 0.361 0 N-CA-C 111.226 -0.749 . . . . 64.2 111.226 178.145 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . 0.675 ' HD3' ' HG ' ' B' ' 4' ' ' LEU . 58.8 Cg_endo -73.54 134.11 19.97 Favored 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.147 1.898 . . . . 75.13 112.145 -176.807 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 52.4 t-20 -87.18 142.71 27.71 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.384 -0.826 . . . . 63.43 109.636 -178.616 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -60.95 -17.93 54.29 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-O 121.08 0.467 . . . . 74.31 110.719 179.493 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -67.14 -23.78 65.83 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 115.478 -0.783 . . . . 62.35 110.463 176.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.21 32.32 4.35 Favored Glycine 0 N--CA 1.45 -0.4 0 CA-C-N 115.557 -0.747 . . . . 52.42 111.322 -175.54 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -146.18 -128.66 1.97 Allowed Glycine 0 N--CA 1.45 -0.408 0 N-CA-C 111.613 -0.595 . . . . 74.12 111.613 -178.784 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.432 ' CD2' HD12 ' A' ' 85' ' ' ILE . 45.1 m-85 -124.24 154.07 40.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.122 0.487 . . . . 72.25 111.114 -177.754 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . 0.443 ' HB3' ' HE3' ' B' ' 1' ' ' MET . . . -139.23 128.33 23.82 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.43 -0.805 . . . . 73.43 109.12 178.395 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -98.98 140.67 32.78 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 121.067 0.46 . . . . 75.45 111.387 -175.291 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -126.24 112.31 15.59 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.068 -0.969 . . . . 62.1 109.333 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.549 HG21 HG23 ' A' ' 83' ' ' VAL . 46.9 t -121.69 110.9 28.91 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.812 0 CA-C-O 120.893 0.377 . . . . 41.42 110.551 -177.165 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.437 ' HB3' ' HB3' ' A' ' 82' ' ' GLU . 34.7 tt0 -101.53 128.03 47.95 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 116.186 -0.461 . . . . 52.25 110.347 -177.746 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 91.5 mt -111.04 106.89 16.11 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-O 121.042 0.449 . . . . 73.33 110.053 179.296 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . 0.526 ' HA ' HG11 ' A' ' 137' ' ' VAL . 57.5 ttt180 -101.85 107.75 19.03 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.229 -0.896 . . . . 73.43 109.835 -175.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 49.1 t -103.24 101.86 12.81 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.262 0 CA-C-O 120.39 0.138 . . . . 72.23 110.962 -171.547 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -97.46 101.5 13.05 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-O 120.79 0.329 . . . . 73.1 110.753 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.9 HD21 HD23 ' A' ' 106' ' ' LEU . 43.4 tp -113.6 116.28 45.98 Favored Pre-proline 0 C--N 1.329 -0.309 0 N-CA-C 109.059 -0.719 . . . . 73.31 109.059 178.675 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . 0.522 ' HD2' HD11 ' A' ' 103' ' ' LEU . 72.3 Cg_endo -76.24 155.6 37.33 Favored 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 122.517 2.144 . . . . 73.52 112.129 -175.813 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 71.18 15.27 74.47 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.805 -0.712 . . . . 54.45 112.026 -179.288 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.9 HD23 HD21 ' A' ' 103' ' ' LEU . 20.4 tp -121.67 143.72 49.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.995 0.426 . . . . 65.03 110.915 -175.239 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -78.99 147.22 32.99 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.741 -0.663 . . . . 72.42 110.505 173.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . 0.577 ' O ' ' HG3' ' A' ' 112' ' ' LYS . . . -65.74 -42.93 90.38 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.735 0.303 . . . . 74.35 110.378 178.178 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -56.54 -42.3 78.27 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.987 -0.551 . . . . 64.13 110.653 178.13 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . 0.542 ' O ' HG21 ' A' ' 113' ' ' THR . . . -73.07 -40.03 65.39 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.773 -0.649 . . . . 73.25 110.442 178.887 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -55.48 -40.65 71.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.916 -0.584 . . . . 54.13 110.623 179.305 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . 0.577 ' HG3' ' O ' ' A' ' 108' ' ' ALA . 65.3 mttm -51.13 -43.84 61.26 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.547 -0.751 . . . . 74.23 111.002 177.309 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' THR . . . . . 0.542 HG21 ' O ' ' A' ' 110' ' ' ALA . 1.1 t -81.41 -33.41 32.24 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.446 -0.343 . . . . 74.22 110.793 -175.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.434 ' HG ' ' O ' ' A' ' 110' ' ' ALA . 41.6 mt -64.85 -48.71 73.32 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.387 -0.369 . . . . 61.01 110.573 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . 0.527 HG23 HG12 ' A' ' 138' ' ' VAL . 94.7 t -64.89 -35.64 75.75 Favored 'Isoleucine or valine' 0 C--O 1.241 0.617 0 CA-C-N 116.234 -0.439 . . . . 72.22 110.126 178.46 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . 0.521 ' O ' ' HB2' ' A' ' 120' ' ' HIS . 12.2 t70 -59.43 -61.28 2.74 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 115.728 -0.669 . . . . 65.51 110.192 177.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . 0.504 ' O ' HG23 ' A' ' 121' ' ' VAL . 10.1 ptm180 -61.52 -35.04 76.58 Favored 'General case' 0 CA--C 1.521 -0.164 0 CA-C-N 116.342 -0.39 . . . . 65.24 110.297 -176.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -56.51 -56.1 25.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.74 -0.663 . . . . 63.41 110.782 178.007 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 95.2 m-70 -76.41 -8.09 56.42 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 120.999 -0.28 . . . . 74.13 111.015 178.213 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . 0.521 ' HB2' ' O ' ' A' ' 116' ' ' ASP . 2.4 t-160 -86.11 -33.05 21.02 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.355 -0.384 . . . . 75.14 110.483 -177.85 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . 0.506 HG22 ' SG ' ' A' ' 122' ' ' CYS . 20.1 m -118.65 -11.8 11.0 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.429 0 N-CA-C 112.236 0.458 . . . . 74.54 112.236 -176.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' CYS . . . . . 0.506 ' SG ' HG22 ' A' ' 121' ' ' VAL . 42.9 m -137.56 66.36 50.01 Favored Pre-proline 0 N--CA 1.469 0.52 0 CA-C-O 120.89 0.376 . . . . 72.12 110.826 178.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_endo -102.72 163.97 0.28 Allowed 'Trans proline' 0 N--CA 1.456 -0.714 0 C-N-CA 123.317 2.678 . . . . 75.04 113.598 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -82.95 -168.15 1.95 Allowed 'General case' 0 C--O 1.237 0.403 0 N-CA-C 108.508 -0.923 . . . . 65.44 108.508 166.287 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' SER . . . . . 0.579 ' O ' HG23 ' A' ' 128' ' ' THR . 14.0 m -44.64 131.55 6.71 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-O 120.81 0.338 . . . . 65.33 111.075 179.805 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 126' ' ' ASN . . . . . 0.492 ' O ' ' HG2' ' A' ' 129' ' ' ARG . 46.0 m-20 -57.34 -42.3 81.68 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-O 121.524 0.678 . . . . 73.42 109.784 -177.771 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . 0.594 ' O ' ' HB3' ' A' ' 131' ' ' ASN . . . -75.28 6.35 4.53 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.318 -0.855 . . . . 54.1 112.211 -178.85 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 128' ' ' THR . . . . . 0.579 HG23 ' O ' ' A' ' 125' ' ' SER . 0.7 OUTLIER -108.44 -6.26 16.26 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 109.403 -0.592 . . . . 73.21 109.403 176.873 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . 0.492 ' HG2' ' O ' ' A' ' 126' ' ' ASN . 10.2 ptt180 -116.38 -42.07 3.06 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 115.918 -0.583 . . . . 72.04 110.649 178.755 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 53.0 m-80 -78.58 -56.51 4.37 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 116.38 -0.373 . . . . 71.52 110.916 176.395 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 131' ' ' ASN . . . . . 0.594 ' HB3' ' O ' ' A' ' 127' ' ' ALA . 2.9 t-20 -63.32 -43.63 97.25 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 115.946 -0.57 . . . . 72.12 110.533 -178.12 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 41.0 t -88.39 125.92 41.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.594 -0.73 . . . . 70.22 109.189 176.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -68.18 93.32 0.44 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.301 0.572 . . . . 45.42 111.041 -174.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . 0.49 ' HA ' ' O ' ' A' ' 97' ' ' VAL . 59.3 t -98.99 124.35 52.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.458 -0.792 . . . . 75.02 110.766 177.556 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 11.3 tpt180 -95.87 113.43 25.05 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.432 -0.803 . . . . 74.34 109.896 -179.477 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 31.0 mt -89.83 115.95 27.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.861 0.363 . . . . 50.04 111.048 179.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . 0.526 HG11 ' HA ' ' A' ' 100' ' ' ARG . 0.2 OUTLIER -129.38 119.07 47.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 121.374 0.607 . . . . 74.42 110.444 -179.657 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . 0.527 HG12 HG23 ' A' ' 115' ' ' VAL . 3.0 m -95.42 139.01 19.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.751 -0.659 . . . . 71.15 110.269 -179.852 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.318 -0.777 0 CA-C-N 115.966 -0.561 . . . . 73.13 110.858 -176.488 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 1' ' ' MET . . . . . 0.443 ' HE3' ' HB3' ' A' ' 94' ' ' ALA . 26.8 ptm . . . . . 0 C--O 1.234 0.287 0 CA-C-O 121.186 0.517 . . . . 72.42 110.857 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 2' ' ' ASN . . . . . 0.546 ' O ' ' HD2' ' A' ' 87' ' ' PRO . 35.6 t30 -91.31 82.9 5.43 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.452 -0.795 . . . . 61.35 109.85 -179.517 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . 0.507 HG22 ' HB2' ' B' ' 6' ' ' LYS . 27.6 mm -73.52 129.17 36.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 116.087 -0.506 . . . . 72.42 111.537 179.575 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . 0.675 ' HG ' ' HD3' ' A' ' 87' ' ' PRO . 84.2 mt -87.64 -43.28 12.07 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.523 -0.762 . . . . 75.25 109.803 174.042 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 5' ' ' TYR . . . . . . . . . . . . . 33.9 t80 -138.84 128.92 25.34 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 115.966 -0.561 . . . . 75.45 110.575 -177.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . 0.507 ' HB2' HG22 ' B' ' 3' ' ' ILE . 32.3 ttmt -138.61 142.81 39.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.952 0.406 . . . . 65.01 111.111 175.579 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 7.1 t -139.24 143.06 37.84 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.693 -0.685 . . . . 73.02 109.327 176.399 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . 0.416 ' O ' ' HB3' ' B' ' 22' ' ' HIS . . . -105.96 151.78 24.16 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.315 -0.402 . . . . 64.22 110.8 -177.638 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . 0.419 ' HA ' ' H ' ' B' ' 22' ' ' HIS . . . -137.96 123.1 19.21 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.171 -0.468 . . . . 71.2 110.187 177.31 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 5.2 t -99.55 110.82 23.24 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.466 0.65 . . . . 64.31 109.859 -179.235 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 11' ' ' SER . . . . . 0.427 ' HA ' ' HA ' ' B' ' 19' ' ' ALA . 20.9 p -101.87 113.53 26.81 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.881 -0.599 . . . . 74.14 110.41 178.352 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 2.6 m -95.11 155.68 16.63 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.863 -0.608 . . . . 73.24 110.831 -176.703 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -79.48 74.83 2.18 Favored Glycine 0 N--CA 1.448 -0.564 0 C-N-CA 121.005 -0.617 . . . . 71.12 112.413 176.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -66.97 -148.41 0.1 OUTLIER Glycine 0 CA--C 1.525 0.669 0 C-N-CA 121.102 -0.571 . . . . 73.4 112.213 173.679 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -56.31 -50.47 71.36 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.962 0.381 . . . . 65.14 110.706 178.515 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 16' ' ' ASP . . . . . 0.541 ' HB3' ' HA ' ' B' ' 31' ' ' SER . 24.8 t70 -125.87 -42.53 1.9 Allowed 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.314 -0.625 . . . . 65.33 109.314 173.711 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -166.14 155.76 27.22 Favored Glycine 0 N--CA 1.444 -0.805 0 C-N-CA 120.185 -1.007 . . . . 74.22 111.787 165.19 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 18' ' ' ARG . . . . . 0.498 ' HA ' ' HA ' ' B' ' 29' ' ' LYS . 39.0 ttp180 -135.86 137.7 41.74 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 108.831 -0.803 . . . . 74.4 108.831 174.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 19' ' ' ALA . . . . . 0.427 ' HA ' ' HA ' ' B' ' 11' ' ' SER . . . -134.15 124.08 25.46 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 123.213 0.32 . . . . 64.31 110.304 -176.063 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 41.3 m -130.84 113.5 14.15 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.4 -0.364 . . . . 75.11 110.41 179.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 21' ' ' SER . . . . . 0.535 ' HB3' ' N ' ' B' ' 26' ' ' LEU . 48.1 t -68.84 107.16 2.95 Favored 'General case' 0 C--O 1.248 0.981 0 N-CA-C 107.523 -1.288 . . . . 74.21 107.523 175.109 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 22' ' ' HIS . . . . . 0.456 ' C ' ' H ' ' B' ' 24' ' ' GLN . 1.8 t-80 -47.84 -35.37 10.14 Favored 'General case' 0 N--CA 1.466 0.375 0 O-C-N 126.099 2.124 . . . . 73.12 112.878 -168.537 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -80.38 25.59 0.4 Allowed 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.299 0.571 . . . . 63.54 110.531 -176.78 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 24' ' ' GLN . . . . . 0.456 ' H ' ' C ' ' B' ' 22' ' ' HIS . 27.4 mm-40 64.62 24.49 13.0 Favored 'General case' 0 CA--C 1.515 -0.37 0 CA-C-N 114.959 -1.018 . . . . 71.43 110.093 175.165 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . 0.527 ' HE2' ' HA ' ' B' ' 25' ' ' LYS . 9.8 mmpt? -85.47 -26.05 26.53 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 114.872 -1.058 . . . . 41.25 110.186 178.657 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . 0.535 ' N ' ' HB3' ' B' ' 21' ' ' SER . 41.6 tp -158.1 151.42 23.21 Favored 'General case' 0 CA--C 1.506 -0.725 0 C-N-CA 120.058 -0.657 . . . . 73.34 111.834 -179.502 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -161.09 90.77 0.84 Allowed 'General case' 0 N--CA 1.444 -0.726 0 CA-C-N 115.226 -0.897 . . . . 53.33 110.261 179.382 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 8.9 m -143.99 178.19 1.89 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.585 0 CA-C-O 121.326 0.584 . . . . 74.12 112.516 -177.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . 0.498 ' HA ' ' HA ' ' B' ' 18' ' ' ARG . 13.4 ttmt -127.24 144.92 50.94 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 114.698 -1.137 . . . . 74.12 109.703 178.425 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . 0.763 ' HA ' ' H ' ' B' ' 44' ' ' THR . 0.0 OUTLIER -125.95 160.25 30.49 Favored 'General case' 0 C--O 1.255 1.391 0 CA-C-O 121.002 0.43 . . . . 72.32 110.59 175.107 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 31' ' ' SER . . . . . 0.541 ' HA ' ' HB3' ' B' ' 16' ' ' ASP . 35.2 m -153.89 122.77 6.37 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 115.228 -0.896 . . . . 62.35 111.368 -175.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.33 133.36 93.2 Favored Pre-proline 0 C--O 1.241 0.628 0 CA-C-N 115.67 -0.696 . . . . 75.13 110.234 174.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 33' ' ' PRO . . . . . . . . . . . . . 10.7 Cg_endo -52.75 132.91 48.53 Favored 'Trans proline' 0 C--N 1.349 0.57 0 C-N-CA 122.735 2.29 . . . . 72.21 111.32 179.656 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 34' ' ' ARG . . . . . 0.435 ' NH1' ' HA2' ' B' ' 37' ' ' GLY . 0.1 OUTLIER -62.62 -13.86 36.48 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 116.429 -0.351 . . . . 71.43 110.38 -176.733 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -48.58 -44.1 36.51 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-O 121.277 0.561 . . . . 72.42 110.837 176.383 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 26.1 mt -99.33 18.48 17.56 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.279 -0.873 . . . . 63.52 110.592 -174.65 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 37' ' ' GLY . . . . . 0.435 ' HA2' ' NH1' ' B' ' 34' ' ' ARG . . . 72.48 33.74 60.89 Favored Glycine 0 N--CA 1.453 -0.216 0 N-CA-C 111.612 -0.595 . . . . 51.22 111.612 -177.214 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -75.24 -77.44 0.7 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 121.046 -0.597 . . . . 64.12 112.598 -176.292 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -166.71 -33.17 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.696 0.284 . . . . 71.25 111.405 -179.086 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 67.88 79.91 0.23 Allowed Glycine 0 C--N 1.334 0.44 0 C-N-CA 121.01 -0.614 . . . . 53.13 112.322 -177.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -148.81 179.2 8.02 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.707 0.289 . . . . 75.21 110.85 -178.721 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -80.11 5.11 15.21 Favored 'General case' 0 N--CA 1.466 0.364 0 N-CA-C 112.424 0.527 . . . . 74.14 112.424 -175.657 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -72.86 179.9 37.34 Favored Glycine 0 CA--C 1.521 0.451 0 C-N-CA 121.001 -0.619 . . . . 72.12 113.064 -177.443 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 44' ' ' THR . . . . . 0.763 ' H ' ' HA ' ' B' ' 30' ' ' LEU . 14.5 p -96.16 154.42 17.26 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 110.254 -0.276 . . . . 70.51 110.254 179.815 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 45' ' ' ASN . . . . . 0.613 ' HB2' ' HB3' ' B' ' 48' ' ' GLN . 1.7 m-20 -73.37 134.2 80.05 Favored Pre-proline 0 CA--C 1.538 0.506 0 N-CA-C 110.156 -0.313 . . . . 71.14 110.156 -177.211 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 46' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -60.39 -57.72 0.67 Allowed 'Trans proline' 0 C--N 1.355 0.888 0 C-N-CA 123.49 2.793 . . . . 54.41 113.663 -177.311 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 47' ' ' GLU . . . . . 0.525 ' OE1' ' HB3' ' B' ' 45' ' ' ASN . 0.0 OUTLIER -59.57 -35.31 74.02 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-O 121.071 0.462 . . . . 73.03 109.798 178.646 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . 0.613 ' HB3' ' HB2' ' B' ' 45' ' ' ASN . 0.8 OUTLIER -62.95 -38.45 91.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.651 -0.704 . . . . 65.22 110.118 173.354 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -62.82 -46.76 86.45 Favored 'General case' 0 C--O 1.235 0.31 0 N-CA-C 109.46 -0.57 . . . . 73.15 109.46 -178.363 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 27.9 t80 -62.3 -43.34 99.06 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 116.357 -0.383 . . . . 74.53 110.335 175.115 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.16 -45.03 79.84 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.11 -0.495 . . . . 63.22 110.989 177.301 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.54 -44.82 85.65 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.977 -0.556 . . . . 74.31 110.889 179.657 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . 0.44 ' HA3' HD12 ' A' ' 49' ' ' LEU . . . -61.06 -42.54 99.83 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.975 -0.631 . . . . 73.22 111.79 178.416 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 54' ' ' TYR . . . . . 0.541 ' HA ' ' SG ' ' B' ' 57' ' ' CYS . 0.8 OUTLIER -66.84 -52.2 46.54 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-O 120.841 0.353 . . . . 73.43 110.116 179.411 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 28.4 p -58.96 -37.97 78.01 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.488 -0.324 . . . . 71.55 110.736 -178.089 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 56' ' ' ALA . . . . . 0.503 ' HB1' HD22 ' A' ' 30' ' ' LEU . . . -73.08 -49.34 29.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.329 -0.396 . . . . 72.32 111.517 -179.343 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 57' ' ' CYS . . . . . 0.541 ' SG ' ' HA ' ' B' ' 54' ' ' TYR . 31.7 p -60.01 -36.26 76.84 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 116.376 -0.374 . . . . 72.4 110.357 -177.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 55.0 t80 -51.64 -34.1 36.41 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 115.839 -0.619 . . . . 61.11 111.122 -179.284 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -66.57 -48.93 68.06 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 120.694 0.283 . . . . 73.31 110.763 178.673 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 7.4 m -64.33 -44.37 91.76 Favored 'General case' 0 C--O 1.243 0.717 0 CA-C-O 121.548 0.689 . . . . 73.23 110.212 -179.655 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -59.37 -40.86 87.84 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.379 -0.828 . . . . 44.1 110.015 177.5 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 62' ' ' MET . . . . . 0.484 ' HG3' HD23 ' B' ' 73' ' ' LEU . 15.5 tpt -66.18 -32.76 74.4 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-N 115.895 -0.593 . . . . 71.0 110.318 179.02 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . 0.521 ' HA ' HD22 ' B' ' 73' ' ' LEU . 57.8 mttp -62.0 -48.08 81.93 Favored 'General case' 0 C--O 1.233 0.22 0 N-CA-C 109.631 -0.507 . . . . 72.03 109.631 174.583 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 58.9 t80 -56.52 -42.41 78.36 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 115.959 -0.564 . . . . 73.11 110.056 176.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 66.8 t -57.44 -51.55 68.28 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.145 0 CA-C-N 116.014 -0.539 . . . . 75.05 110.312 176.776 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 66' ' ' ALA . . . . . 0.445 ' HA ' ' HG3' ' B' ' 71' ' ' GLN . . . -57.77 -30.36 65.58 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.087 0.47 . . . . 74.13 110.477 179.078 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -70.68 -30.64 68.32 Favored Glycine 0 N--CA 1.45 -0.393 0 CA-C-N 115.447 -0.797 . . . . 75.04 112.46 -178.09 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -96.33 -17.63 20.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.489 0.662 . . . . 64.5 109.388 -178.723 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 31.6 m-80 -97.96 -4.78 35.6 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.337 -0.847 . . . . 65.21 111.377 179.594 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 10.7 mptt 56.67 30.91 18.33 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-O 121.349 0.595 . . . . 73.12 111.147 177.198 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . 0.445 ' HG3' ' HA ' ' B' ' 66' ' ' ALA . 0.9 OUTLIER -111.82 168.83 9.26 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.519 -0.764 . . . . 74.24 110.589 -178.007 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 20.7 p -115.2 133.55 55.94 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.793 -0.64 . . . . 74.12 110.807 -179.199 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 73' ' ' LEU . . . . . 0.521 HD22 ' HA ' ' B' ' 63' ' ' LYS . 0.2 OUTLIER -109.44 149.66 40.1 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 75.15 110.996 179.362 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 74' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -79.43 127.58 7.44 Favored 'Trans proline' 0 CA--C 1.532 0.425 0 C-N-CA 122.766 2.311 . . . . 74.32 112.141 176.058 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -76.9 -6.82 54.0 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 121.235 0.541 . . . . 71.53 110.716 177.39 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -81.74 3.99 23.61 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 115.601 -0.727 . . . . 60.22 110.862 -179.027 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 77' ' ' THR . . . . . . . . . . . . . 8.8 t -81.67 167.76 18.83 Favored 'General case' 0 C--O 1.238 0.47 0 CA-C-N 115.876 -0.602 . . . . 73.25 111.998 -174.446 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 78' ' ' THR . . . . . 0.605 HG23 ' HA ' ' A' ' 12' ' ' THR . 0.9 OUTLIER -152.06 149.33 28.71 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 115.178 -0.919 . . . . 71.23 110.154 -179.611 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 75.0 t -133.64 112.65 17.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 121.277 0.561 . . . . 54.24 109.814 176.328 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 80' ' ' THR . . . . . 0.462 ' HA ' ' HA ' ' A' ' 10' ' ' THR . 27.0 m -102.45 110.58 22.57 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 115.898 -0.592 . . . . 75.2 110.5 -177.635 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -92.9 104.62 16.84 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.988 -0.551 . . . . 73.43 109.774 -179.765 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 82' ' ' GLU . . . . . 0.509 ' HA ' ' HA ' ' A' ' 8' ' ' ALA . 28.3 tt0 -104.18 107.64 18.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 71.23 109.869 -178.323 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . 0.434 HG13 HG22 ' B' ' 97' ' ' VAL . 29.9 m -103.35 146.25 11.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.98 -0.554 . . . . 71.44 110.894 -175.658 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 84' ' ' GLY . . . . . 0.405 ' HA2' ' HA ' ' A' ' 6' ' ' LYS . . . -134.77 159.97 24.1 Favored Glycine 0 N--CA 1.441 -0.986 0 N-CA-C 111.359 -0.696 . . . . 52.45 111.359 176.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -140.88 130.09 25.32 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.82 0 N-CA-C 109.271 -0.64 . . . . 73.1 109.271 -178.361 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 86' ' ' GLY . . . . . 0.702 ' HA2' ' HG ' ' A' ' 4' ' ' LEU . . . -148.0 169.81 28.7 Favored Glycine 0 N--CA 1.45 -0.385 0 O-C-N 124.343 1.027 . . . . 52.3 110.947 -178.907 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 87' ' ' PRO . . . . . 0.575 ' HD3' ' HG ' ' A' ' 4' ' ' LEU . 1.1 Cg_endo -81.65 123.15 4.16 Favored 'Trans proline' 0 N--CA 1.455 -0.784 0 C-N-CA 122.81 2.34 . . . . 70.05 111.608 -178.04 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 88' ' ' ASN . . . . . . . . . . . . . 50.4 t-20 -71.95 135.7 46.55 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 108.81 -0.811 . . . . 72.3 108.81 176.068 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -60.54 -16.74 40.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 123.268 0.355 . . . . 71.21 111.234 -178.065 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -67.33 -17.76 64.89 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-O 121.353 0.597 . . . . 74.05 110.62 176.332 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.59 35.26 3.34 Favored Glycine 0 N--CA 1.453 -0.21 0 CA-C-N 115.792 -0.64 . . . . 72.2 112.252 -179.398 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . -144.7 -154.42 6.13 Favored Glycine 0 N--CA 1.452 -0.256 0 N-CA-C 111.356 -0.698 . . . . 70.13 111.356 177.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 93' ' ' PHE . . . . . . . . . . . . . 65.4 m-85 -106.2 165.72 11.03 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.966 0.383 . . . . 73.12 110.191 176.052 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 94' ' ' ALA . . . . . 0.413 ' HB1' ' HE3' ' A' ' 1' ' ' MET . . . -149.29 133.21 17.07 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.178 -0.465 . . . . 62.21 110.041 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -101.72 121.14 41.5 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.997 -0.547 . . . . 74.21 110.124 179.208 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 96' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -111.06 110.1 20.49 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.491 -0.777 . . . . 73.53 109.009 178.537 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 97' ' ' VAL . . . . . 0.864 ' HB ' HG21 ' B' ' 134' ' ' VAL . 61.0 t -111.08 110.89 33.87 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.779 0 C-N-CA 120.874 -0.33 . . . . 65.34 111.414 -173.825 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 98' ' ' GLU . . . . . 0.46 ' HG2' ' HB3' ' B' ' 135' ' ' ARG . 44.4 mt-10 -93.18 105.15 17.27 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.275 -0.639 . . . . 74.42 109.275 173.664 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 20.9 tp -93.73 109.2 20.87 Favored 'General case' 0 C--O 1.239 0.546 0 N-CA-C 109.377 -0.601 . . . . 75.14 109.377 -177.627 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 100' ' ' ARG . . . . . 0.525 ' HA ' ' O ' ' B' ' 137' ' ' VAL . 22.9 ttt180 -99.55 128.83 45.67 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.209 -0.905 . . . . 70.24 110.328 -173.04 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 101' ' ' VAL . . . . . . . . . . . . . 88.9 t -121.42 108.35 22.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.284 -0.417 . . . . 60.12 111.234 -174.567 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -99.35 101.34 12.59 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.635 -0.506 . . . . 53.32 109.635 175.131 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 103' ' ' LEU . . . . . 0.522 HD12 ' HD2' ' B' ' 104' ' ' PRO . 19.5 tp -121.41 109.0 35.15 Favored Pre-proline 0 CA--C 1.533 0.301 0 N-CA-C 109.719 -0.475 . . . . 72.24 109.719 -175.389 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 104' ' ' PRO . . . . . 0.522 ' HD2' HD12 ' B' ' 103' ' ' LEU . 81.3 Cg_endo -74.94 156.57 43.26 Favored 'Trans proline' 0 C--N 1.348 0.511 0 C-N-CA 123.037 2.492 . . . . 74.24 112.583 -173.412 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 105' ' ' GLY . . . . . . . . . . . . . . . 72.89 15.13 78.28 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.845 -0.693 . . . . 72.34 111.982 -179.615 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 106' ' ' LEU . . . . . 0.487 ' CD2' HD23 ' B' ' 103' ' ' LEU . 20.2 tp -138.12 139.58 39.51 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 122.737 0.415 . . . . 65.44 110.818 -175.572 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -73.18 143.41 47.22 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-N 115.9 -0.591 . . . . 63.12 110.166 175.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -64.4 -39.46 93.9 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.021 0.438 . . . . 74.55 110.589 177.201 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -56.77 -45.88 81.82 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.969 -0.559 . . . . 64.51 110.636 179.203 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 110' ' ' ALA . . . . . 0.584 ' O ' HG21 ' B' ' 113' ' ' THR . . . -74.09 -38.54 63.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.968 -0.56 . . . . 72.03 110.045 178.342 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -56.78 -34.61 67.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.759 -0.655 . . . . 64.14 111.088 -179.265 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 112' ' ' LYS . . . . . . . . . . . . . 55.9 mttp -54.17 -49.33 69.53 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 116.446 -0.343 . . . . 74.45 110.874 176.767 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 113' ' ' THR . . . . . 0.584 HG21 ' O ' ' B' ' 110' ' ' ALA . 2.6 t -74.58 -36.3 63.04 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-O 120.854 0.359 . . . . 72.03 110.527 -176.749 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 114' ' ' LEU . . . . . 0.449 ' HG ' ' O ' ' B' ' 110' ' ' ALA . 46.0 mt -64.25 -50.06 69.44 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 115.999 -0.546 . . . . 72.05 110.786 -178.815 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 115' ' ' VAL . . . . . . . . . . . . . 96.8 t -62.36 -37.39 78.56 Favored 'Isoleucine or valine' 0 C--O 1.24 0.59 0 CA-C-O 121.088 0.471 . . . . 63.55 109.87 178.478 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -59.85 -59.64 5.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.418 -0.81 . . . . 75.43 110.838 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 117' ' ' ARG . . . . . . . . . . . . . 14.2 ptm180 -64.15 -34.09 77.27 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 121.132 0.491 . . . . 70.2 110.198 -177.114 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -58.66 -38.98 79.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.614 -0.721 . . . . 61.11 109.695 174.373 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 119' ' ' HIS . . . . . 0.505 ' HB3' ' HD2' ' B' ' 129' ' ' ARG . 15.3 m80 -71.24 6.55 1.65 Allowed 'General case' 0 CA--C 1.533 0.298 0 N-CA-C 112.732 0.642 . . . . 74.31 112.732 177.366 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 19.3 t-80 -108.45 -38.25 5.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.603 0.239 . . . . 73.32 110.965 173.639 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 33.2 m -76.87 -30.45 18.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 N-CA-C 112.412 0.523 . . . . 73.14 112.412 -172.293 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 122' ' ' CYS . . . . . . . . . . . . . 23.2 p -106.38 141.69 23.31 Favored Pre-proline 0 C--O 1.237 0.424 0 CA-C-O 120.609 0.242 . . . . 74.53 111.597 -174.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 123' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -58.8 169.05 3.65 Favored 'Trans proline' 0 C--N 1.354 0.83 0 C-N-CA 122.961 2.441 . . . . 65.25 111.368 174.034 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 124' ' ' TYR . . . . . . . . . . . . . 43.7 m-85 . . . . . 0 N--CA 1.47 0.528 0 C-N-CA 123.068 0.547 . . . . 65.35 109.527 -172.843 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 128' ' ' THR . . . . . 0.544 ' OG1' HG22 ' B' ' 134' ' ' VAL . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.282 0 CA-C-O 120.883 0.373 . . . . 64.4 110.252 . . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 129' ' ' ARG . . . . . 0.505 ' HD2' ' HB3' ' B' ' 119' ' ' HIS . 15.6 ptm180 -109.02 -51.47 2.88 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 116.688 -0.233 . . . . 75.21 110.5 -174.329 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 130' ' ' ASN . . . . . 0.424 ' ND2' ' HG3' ' B' ' 129' ' ' ARG . 0.2 OUTLIER -78.77 -52.89 7.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.984 0.421 . . . . 74.14 110.962 175.969 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 131' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -66.94 -43.95 81.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.747 -0.661 . . . . 75.43 110.978 -175.653 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 132' ' ' VAL . . . . . 0.407 HG11 ' N ' ' B' ' 133' ' ' ALA . 23.4 t -119.88 160.3 20.32 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.317 0 CA-C-N 116.24 -0.436 . . . . 62.31 111.209 -169.46 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 133' ' ' ALA . . . . . 0.407 ' N ' HG11 ' B' ' 132' ' ' VAL . . . -89.52 95.87 10.46 Favored 'General case' 0 C--O 1.244 0.776 0 CA-C-O 121.744 0.783 . . . . 72.23 111.12 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 134' ' ' VAL . . . . . 0.864 HG21 ' HB ' ' B' ' 97' ' ' VAL . 71.0 t -125.94 109.3 21.18 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.448 0 CA-C-N 115.038 -0.983 . . . . 64.53 110.867 -179.344 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 135' ' ' ARG . . . . . 0.46 ' HB3' ' HG2' ' B' ' 98' ' ' GLU . 27.2 tpt180 -70.96 110.94 5.97 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.549 -0.75 . . . . 74.32 109.575 175.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 136' ' ' LEU . . . . . 0.434 HD23 ' HA ' ' B' ' 136' ' ' LEU . 44.1 mt -79.87 107.45 12.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.178 -0.465 . . . . 72.41 110.325 177.626 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 137' ' ' VAL . . . . . 0.525 ' O ' ' HA ' ' B' ' 100' ' ' ARG . 0.3 OUTLIER -118.07 112.2 37.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.416 -0.811 . . . . 74.23 110.142 -178.118 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 138' ' ' VAL . . . . . . . . . . . . . 3.2 m -103.0 138.11 28.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.766 -0.652 . . . . 70.52 109.643 -178.236 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 139' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.301 0 CA-C-N 115.367 -0.833 . . . . 71.35 111.666 -171.489 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.5 ptm . . . . . 0 N--CA 1.486 1.335 0 N-CA-C 109.835 -0.432 . . . . 71.43 109.835 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 55.0 t30 -98.05 85.19 3.43 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.211 0.529 . . . . 75.52 109.887 -179.497 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.517 HG21 ' HB2' ' A' ' 6' ' ' LYS . 33.3 mm -70.09 126.06 29.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.572 -0.74 . . . . 51.02 111.717 -179.105 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.65 ' HG ' ' HD3' ' B' ' 87' ' ' PRO . 87.2 mt -81.27 -42.29 20.87 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.599 -0.728 . . . . 74.21 109.833 175.674 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 48.7 t80 -142.19 132.11 24.39 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 116.052 -0.522 . . . . 73.42 110.553 -178.476 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.517 ' HB2' HG21 ' A' ' 3' ' ' ILE . 27.6 ttmt -137.6 144.45 41.99 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.892 0.377 . . . . 62.42 110.159 176.905 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.583 HG21 HD22 ' B' ' 45' ' ' ASN . 10.9 t -142.84 143.53 32.15 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.662 -0.699 . . . . 73.02 109.995 -177.761 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.51 ' HA ' ' HA ' ' B' ' 82' ' ' GLU . . . -111.6 136.42 50.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 64.34 110.723 -177.278 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.544 ' HA ' ' HA ' ' A' ' 21' ' ' SER . . . -130.14 117.05 19.34 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.075 -0.512 . . . . 73.03 109.705 175.409 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.52 ' HA ' ' HA ' ' B' ' 80' ' ' THR . 6.5 t -95.38 129.58 42.48 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.053 0.454 . . . . 73.43 109.839 -177.612 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 83.6 p -114.26 113.56 24.78 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.955 -0.566 . . . . 74.42 109.882 -179.639 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 5.0 m -107.07 160.17 15.75 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 116.202 -0.454 . . . . 72.12 110.858 -175.566 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -81.4 75.57 2.29 Favored Glycine 0 N--CA 1.446 -0.649 0 C-N-CA 120.661 -0.78 . . . . 62.44 111.954 175.082 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -59.82 -105.43 0.01 OUTLIER Glycine 0 C--N 1.342 0.878 0 C-N-CA 121.114 -0.565 . . . . 62.02 112.633 175.292 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 27.2 mmm180 -88.95 -48.68 7.27 Favored 'General case' 0 N--CA 1.465 0.295 0 O-C-N 122.356 -0.496 . . . . 73.04 110.333 175.355 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.402 ' HB3' ' HA ' ' A' ' 31' ' ' SER . 12.8 t70 -125.65 -42.76 1.91 Allowed 'General case' 0 C--O 1.236 0.353 0 N-CA-C 108.906 -0.776 . . . . 74.22 108.906 170.059 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -161.84 161.47 33.33 Favored Glycine 0 N--CA 1.444 -0.801 0 N-CA-C 111.025 -0.83 . . . . 73.12 111.025 166.568 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.48 ' HA ' ' HA ' ' A' ' 29' ' ' LYS . 55.5 ttp180 -141.66 144.41 34.12 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 109.774 -0.454 . . . . 73.24 109.774 177.463 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.586 ' HB3' ' HB2' ' B' ' 52' ' ' ALA . . . -130.49 123.87 30.68 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.545 -0.539 . . . . 71.12 109.545 178.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.438 HG21 ' HB2' ' A' ' 27' ' ' ASP . 24.5 m -137.5 111.35 8.24 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.185 -0.461 . . . . 65.23 110.701 -175.457 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.544 ' HA ' ' HA ' ' A' ' 9' ' ' ALA . 46.1 t -72.3 109.03 5.75 Favored 'General case' 0 C--O 1.244 0.792 0 N-CA-C 107.64 -1.244 . . . . 62.3 107.64 175.717 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.421 ' C ' ' H ' ' A' ' 24' ' ' GLN . 85.0 t60 -54.1 -20.18 6.16 Favored 'General case' 0 N--CA 1.467 0.412 0 O-C-N 125.94 2.025 . . . . 71.44 112.636 -169.036 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.514 ' HB2' ' HE2' ' A' ' 25' ' ' LYS . 4.5 m-20 -80.28 16.08 1.39 Allowed 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.784 -0.45 . . . . 73.43 109.784 177.798 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.421 ' H ' ' C ' ' A' ' 22' ' ' HIS . 32.5 mm-40 64.86 16.01 10.22 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 115.395 -0.821 . . . . 72.53 110.321 -179.252 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.514 ' HE2' ' HB2' ' A' ' 23' ' ' ASP . 55.8 mtmt -84.33 -18.66 35.55 Favored 'General case' 0 N--CA 1.451 -0.425 0 CA-C-N 115.639 -0.71 . . . . 73.44 110.605 -179.488 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.526 ' N ' ' HB3' ' A' ' 21' ' ' SER . 55.7 tp -150.13 145.29 26.23 Favored 'General case' 0 C--N 1.342 0.258 0 C-N-CA 120.181 -0.608 . . . . 74.42 111.113 175.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.438 ' HB2' HG21 ' A' ' 20' ' ' THR . 18.7 t70 -162.85 95.39 0.88 Allowed 'General case' 0 C--O 1.233 0.232 0 O-C-N 123.636 0.585 . . . . 74.5 110.152 174.417 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.479 ' O ' ' HG3' ' A' ' 18' ' ' ARG . 3.4 m -145.35 176.59 1.96 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.504 0 CA-C-N 116.035 -0.529 . . . . 62.12 111.018 178.077 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.48 ' HA ' ' HA ' ' A' ' 18' ' ' ARG . 0.8 OUTLIER -125.86 144.16 50.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.809 -0.632 . . . . 62.42 110.314 -177.876 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.825 ' HA ' ' H ' ' A' ' 44' ' ' THR . 0.0 OUTLIER -128.55 167.65 16.82 Favored 'General case' 0 C--O 1.252 1.189 0 CA-C-O 121.065 0.459 . . . . 73.21 110.777 177.993 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.417 ' OG ' ' HB2' ' A' ' 41' ' ' ALA . 34.7 m -149.62 137.98 20.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.253 -0.885 . . . . 75.34 110.82 -175.406 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -76.1 131.31 75.91 Favored Pre-proline 0 C--O 1.24 0.588 0 CA-C-N 116.052 -0.522 . . . . 52.21 110.468 176.637 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.442 ' HG3' ' ND2' ' A' ' 45' ' ' ASN . 54.3 Cg_exo -52.14 119.58 5.99 Favored 'Trans proline' 0 C--N 1.35 0.646 0 C-N-CA 122.885 2.39 . . . . 73.33 111.835 178.752 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.583 ' HB2' ' N ' ' A' ' 40' ' ' GLY . 39.4 ttt85 -67.71 -16.0 63.92 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.821 0.343 . . . . 64.52 110.604 -176.2 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 51.2 mm-40 -49.73 -34.7 19.72 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 115.677 -0.692 . . . . 75.14 110.54 173.587 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 26.8 mt -101.05 11.68 39.11 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.176 -0.92 . . . . 73.53 110.816 -172.411 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 90.61 55.67 1.88 Allowed Glycine 0 C--N 1.332 0.328 0 CA-C-N 115.907 -0.588 . . . . 72.22 112.626 178.523 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -133.34 -136.97 3.8 Favored Glycine 0 N--CA 1.452 -0.258 0 N-CA-C 111.884 -0.486 . . . . 73.44 111.884 -178.766 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -105.25 -29.74 10.12 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 111.626 0.232 . . . . 63.22 111.626 -175.613 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.583 ' N ' ' HB2' ' A' ' 34' ' ' ARG . . . 53.06 39.66 57.72 Favored Glycine 0 CA--C 1.521 0.418 0 C-N-CA 121.32 -0.466 . . . . 45.53 113.198 -175.517 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.417 ' HB2' ' OG ' ' A' ' 31' ' ' SER . . . -78.52 163.15 25.8 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 110.152 -0.314 . . . . 51.12 110.152 178.12 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -75.22 67.98 1.91 Allowed 'General case' 0 C--O 1.234 0.266 0 CA-C-O 121.444 0.64 . . . . 71.23 111.096 -178.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -125.62 -165.71 12.13 Favored Glycine 0 N--CA 1.448 -0.511 0 CA-C-N 115.753 -0.658 . . . . 55.55 112.186 179.366 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.825 ' H ' ' HA ' ' A' ' 30' ' ' LEU . 40.1 m -91.83 146.06 24.06 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.989 -0.375 . . . . 74.01 109.989 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.521 ' HB2' ' HB3' ' A' ' 48' ' ' GLN . 12.7 m120 -77.83 117.85 68.41 Favored Pre-proline 0 C--N 1.328 -0.336 0 N-CA-C 109.951 -0.389 . . . . 72.33 109.951 176.178 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 86.6 Cg_exo -47.17 -42.93 26.4 Favored 'Trans proline' 0 C--N 1.348 0.542 0 C-N-CA 122.516 2.144 . . . . 63.04 111.823 174.464 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -59.41 -50.44 73.94 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 115.599 -0.728 . . . . 62.13 109.523 178.334 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.521 ' HB3' ' HB2' ' A' ' 45' ' ' ASN . 0.9 OUTLIER -63.4 -34.31 77.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 114.989 -1.005 . . . . 74.41 110.967 -178.037 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.485 HD13 ' HA3' ' B' ' 53' ' ' GLY . 2.8 tm? -67.67 -52.76 34.22 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.528 -0.545 . . . . 71.11 109.528 -178.531 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 53.6 t80 -59.81 -45.69 91.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.027 -0.533 . . . . 65.21 110.611 178.01 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -51.7 -53.05 43.33 Favored 'General case' 0 C--O 1.238 0.474 0 CA-C-N 115.964 -0.562 . . . . 52.03 111.316 176.476 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.451 ' HB3' ' HB3' ' B' ' 19' ' ' ALA . . . -59.82 -48.13 82.94 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.576 -0.738 . . . . 73.32 111.174 -179.04 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -65.63 -38.05 94.21 Favored Glycine 0 CA--C 1.518 0.241 0 C-N-CA 121.061 -0.59 . . . . 45.35 112.708 -178.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.575 ' HA ' ' SG ' ' A' ' 57' ' ' CYS . 1.7 t80 -66.59 -45.01 80.61 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.215 0.531 . . . . 74.55 110.253 -178.795 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.651 ' OG ' ' HB3' ' A' ' 81' ' ' ALA . 24.0 m -68.52 -47.78 66.06 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.211 -0.449 . . . . 73.1 109.918 178.405 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -56.52 -38.53 71.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.986 -0.552 . . . . 72.41 110.81 179.458 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.575 ' SG ' ' HA ' ' A' ' 54' ' ' TYR . 29.7 p -73.59 -35.87 65.47 Favored 'General case' 0 N--CA 1.453 -0.317 0 N-CA-C 109.808 -0.442 . . . . 74.4 109.808 177.644 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 12.0 t80 -60.0 -35.57 75.33 Favored 'General case' 0 CA--C 1.533 0.32 0 N-CA-C 110.022 -0.362 . . . . 74.24 110.022 -179.435 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -62.26 -59.0 5.65 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 116.292 -0.413 . . . . 74.12 110.556 175.163 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.512 ' HA ' ' HD3' ' A' ' 63' ' ' LYS . 18.0 t -60.05 -32.97 71.43 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-O 121.007 0.432 . . . . 74.4 110.362 -178.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.419 ' O ' HG22 ' A' ' 65' ' ' VAL . . . -65.29 -44.72 87.05 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.03 -0.532 . . . . 64.15 109.905 177.475 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.45 -33.33 74.62 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.973 -0.558 . . . . 61.32 110.498 176.527 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.512 ' HD3' ' HA ' ' A' ' 60' ' ' SER . 9.3 mtpm? -66.09 -48.19 71.77 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.23 -0.441 . . . . 62.32 110.266 177.393 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 57.2 t80 -62.93 -45.88 90.39 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 116.146 -0.479 . . . . 70.35 110.289 177.806 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.419 HG22 ' O ' ' A' ' 61' ' ' ALA . 47.1 t -56.63 -50.74 72.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.887 -0.597 . . . . 51.41 110.34 177.17 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -57.37 -34.43 68.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.159 0.504 . . . . 55.45 110.167 179.075 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -67.23 -33.92 84.22 Favored Glycine 0 N--CA 1.448 -0.562 0 CA-C-N 115.093 -0.958 . . . . 65.01 111.951 -177.687 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -96.28 -11.64 25.66 Favored 'General case' 0 C--O 1.224 -0.268 0 N-CA-C 109.473 -0.565 . . . . 73.33 109.473 -179.012 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -96.26 0.15 50.52 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.686 -0.688 . . . . 73.35 111.053 178.896 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 22.9 mmtm 61.13 31.5 19.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.371 -0.831 . . . . 70.5 110.619 174.311 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -122.97 167.69 13.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.485 . . . . 65.11 110.704 -178.181 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 36.3 p -119.69 142.28 48.63 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.793 -0.64 . . . . 71.13 110.292 178.171 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.413 ' HA ' ' HD3' ' A' ' 74' ' ' PRO . 98.1 mt -109.28 143.91 28.68 Favored Pre-proline 0 C--N 1.326 -0.439 0 CA-C-N 116.282 -0.417 . . . . 64.52 110.375 179.845 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . 0.473 ' O ' HG21 ' A' ' 77' ' ' THR . 43.5 Cg_exo -58.56 134.76 63.07 Favored 'Trans proline' 0 C--N 1.348 0.505 0 C-N-CA 123.027 2.484 . . . . 75.32 112.092 178.593 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -77.19 -1.93 31.96 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.692 0.627 . . . . 74.43 112.692 -176.57 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -106.54 8.02 31.12 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-O 121.216 0.532 . . . . 72.44 111.133 -177.785 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.473 HG21 ' O ' ' A' ' 74' ' ' PRO . 9.9 t -74.76 153.76 38.65 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-O 121.259 0.552 . . . . 74.0 111.454 -176.689 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 26.9 m -151.96 150.59 30.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.823 -0.626 . . . . 72.13 110.306 -177.16 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 82.0 t -125.94 128.16 71.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 N-CA-C 109.887 -0.412 . . . . 73.54 109.887 176.191 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 87.0 m -112.6 117.17 31.55 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 110.205 -0.295 . . . . 61.0 110.205 177.002 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.651 ' HB3' ' OG ' ' A' ' 55' ' ' SER . . . -93.22 117.21 29.81 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.173 -0.467 . . . . 75.0 109.984 178.037 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.604 ' HG2' ' HD3' ' B' ' 6' ' ' LYS . 30.9 tt0 -112.71 107.34 15.97 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 107.76 -1.2 . . . . 75.53 107.76 178.139 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 14.4 m -109.8 139.27 33.67 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-N 116.095 -0.502 . . . . 74.25 111.186 -171.679 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . 0.41 ' HA2' ' HA ' ' B' ' 6' ' ' LYS . . . -138.32 161.8 25.68 Favored Glycine 0 N--CA 1.437 -1.3 0 CA-C-N 115.526 -0.761 . . . . 64.22 111.663 179.286 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -134.13 129.88 54.25 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.914 0 N-CA-C 108.832 -0.803 . . . . 71.32 108.832 178.037 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -144.59 169.65 26.44 Favored Glycine 0 N--CA 1.453 -0.178 0 CA-C-N 115.495 -0.775 . . . . 64.2 111.366 179.7 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . 0.689 ' HD3' ' HG ' ' B' ' 4' ' ' LEU . 61.8 Cg_endo -90.31 138.36 2.72 Favored 'Trans proline' 0 N--CA 1.452 -0.97 0 C-N-CA 122.827 2.351 . . . . 75.13 112.342 -178.648 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -94.74 147.87 22.87 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.789 -0.641 . . . . 63.43 109.569 178.205 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -63.37 -15.04 56.29 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.0 0.37 . . . . 74.31 112.0 -177.05 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -70.14 -21.46 63.08 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-O 121.034 0.445 . . . . 62.35 110.721 175.197 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.35 35.42 3.36 Favored Glycine 0 CA--C 1.518 0.257 0 CA-C-N 116.124 -0.489 . . . . 52.42 112.966 178.308 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -141.06 -172.62 13.15 Favored Glycine 0 C--N 1.33 0.217 0 N-CA-C 111.173 -0.771 . . . . 74.12 111.173 176.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 29.4 m-85 -97.9 155.85 16.88 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 117.25 0.525 . . . . 72.25 110.243 176.543 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . 0.48 ' HB1' ' HE1' ' B' ' 1' ' ' MET . . . -139.48 127.47 22.27 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.003 -0.544 . . . . 73.43 109.876 -177.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -97.27 125.33 41.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.995 -0.548 . . . . 75.45 110.418 -179.601 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -110.11 113.1 25.53 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.097 -0.956 . . . . 62.1 109.613 178.606 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 60.4 t -107.79 110.58 32.42 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.107 0 N-CA-C 109.542 -0.54 . . . . 41.42 109.542 177.619 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -98.7 102.28 13.96 Favored 'General case' 0 C--N 1.315 -0.899 0 N-CA-C 109.506 -0.553 . . . . 52.25 109.506 -177.775 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.419 HD11 ' CE2' ' A' ' 54' ' ' TYR . 88.9 mt -93.81 107.83 19.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.268 -0.423 . . . . 73.33 110.063 -177.696 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . 0.547 ' HA ' ' O ' ' A' ' 137' ' ' VAL . 98.1 mtt180 -99.2 118.23 35.44 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.887 -0.597 . . . . 73.43 109.87 179.633 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.667 ' HB ' HG11 ' A' ' 138' ' ' VAL . 43.7 t -111.75 105.31 18.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 116.332 -0.395 . . . . 72.23 110.32 -173.428 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . 0.504 ' HA ' ' HB1' ' A' ' 139' ' ' ALA . . . -91.79 101.33 13.93 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.71 -0.478 . . . . 73.1 109.71 177.798 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 19.1 mt -109.67 104.03 54.43 Favored Pre-proline 0 C--O 1.233 0.188 0 CA-C-N 115.247 -0.888 . . . . 73.31 109.617 178.253 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -70.68 151.28 63.72 Favored 'Trans proline' 0 N--CA 1.463 -0.298 0 C-N-CA 122.559 2.173 . . . . 73.52 112.269 -177.449 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 69.9 15.2 71.35 Favored Glycine 0 CA--C 1.52 0.401 0 CA-C-N 115.793 -0.64 . . . . 54.45 112.866 -179.181 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.487 HD23 ' HA ' ' A' ' 111' ' ' ALA . 21.9 tp -130.9 140.78 50.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.811 0.339 . . . . 65.03 110.739 -177.606 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -77.1 136.74 38.65 Favored 'General case' 0 CA--C 1.521 -0.146 0 CA-C-N 115.975 -0.557 . . . . 72.42 110.661 176.46 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -53.73 -38.8 64.7 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.079 -0.51 . . . . 74.35 111.421 179.177 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -56.26 -51.71 67.15 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 115.992 -0.549 . . . . 64.13 110.989 -179.327 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . 0.537 ' O ' HG23 ' A' ' 113' ' ' THR . . . -74.28 -34.62 63.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.683 0.754 . . . . 73.25 109.781 179.803 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . 0.487 ' HA ' HD23 ' A' ' 106' ' ' LEU . . . -55.8 -37.3 68.43 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 114.918 -1.037 . . . . 54.13 111.084 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -57.15 -49.32 76.31 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.069 -0.514 . . . . 74.23 110.919 176.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' THR . . . . . 0.537 HG23 ' O ' ' A' ' 110' ' ' ALA . 1.2 t -71.07 -34.98 71.7 Favored 'General case' 0 C--N 1.332 -0.154 0 C-N-CA 121.025 -0.27 . . . . 74.22 110.466 -175.541 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.454 ' HG ' ' O ' ' A' ' 110' ' ' ALA . 45.2 mt -63.68 -51.59 64.43 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 120.849 0.357 . . . . 61.01 110.442 179.453 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 97.6 t -66.83 -32.5 58.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.1 -0.5 . . . . 72.22 110.707 178.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -62.61 -58.72 6.52 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 120.681 0.277 . . . . 65.51 110.375 178.309 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . 0.504 ' HG2' ' O ' ' A' ' 113' ' ' THR . 14.7 ptm180 -60.01 -38.89 83.98 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-O 121.01 0.433 . . . . 65.24 110.215 -179.151 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -61.39 -40.04 92.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.815 -0.63 . . . . 63.41 110.368 175.631 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . 0.458 ' CG ' HD12 ' A' ' 136' ' ' LEU . 7.8 t-80 -71.31 -4.35 25.52 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 115.604 -0.725 . . . . 74.13 110.741 179.356 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 36.6 m170 -100.21 -51.68 3.59 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 120.989 0.424 . . . . 75.14 110.327 176.383 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 35.4 m -69.89 -38.72 76.4 Favored 'Isoleucine or valine' 0 C--O 1.233 0.208 0 CA-C-N 115.502 -0.772 . . . . 74.54 113.0 -169.326 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' CYS . . . . . 0.406 ' N ' ' HD3' ' A' ' 123' ' ' PRO . 79.8 m -143.8 67.65 15.94 Favored Pre-proline 0 CA--C 1.534 0.33 0 N-CA-C 112.349 0.5 . . . . 72.12 112.349 -176.523 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' PRO . . . . . 0.406 ' HD3' ' N ' ' A' ' 122' ' ' CYS . 62.8 Cg_endo -101.71 -165.49 0.05 OUTLIER 'Trans proline' 0 N--CA 1.452 -0.957 0 C-N-CA 123.614 2.876 . . . . 75.04 111.213 169.758 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' TYR . . . . . 0.53 ' CE2' ' SG ' ' A' ' 57' ' ' CYS . 4.4 m-30 -81.22 -19.2 43.73 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 120.891 0.377 . . . . 65.44 110.141 173.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 38.5 t 176.9 165.04 0.5 Allowed 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 115.499 -0.773 . . . . 65.33 109.137 177.613 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 126' ' ' ASN . . . . . 0.508 ' O ' ' HG2' ' A' ' 129' ' ' ARG . 27.1 t-20 -66.99 -31.4 71.95 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.705 0.764 . . . . 73.42 109.146 172.657 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . 0.495 ' O ' ' HB3' ' A' ' 131' ' ' ASN . . . -65.07 6.54 0.24 Allowed 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 114.794 -1.093 . . . . 54.1 112.423 179.085 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 128' ' ' THR . . . . . 0.468 ' H ' ' C ' ' A' ' 126' ' ' ASN . 13.0 t -88.34 -2.65 58.72 Favored 'General case' 0 CA--C 1.51 -0.571 0 N-CA-C 108.191 -1.041 . . . . 73.21 108.191 -173.592 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . 0.508 ' HG2' ' O ' ' A' ' 126' ' ' ASN . 2.6 ptm180 -127.71 -48.19 1.39 Allowed 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 114.937 -1.029 . . . . 72.04 112.06 -177.798 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -78.4 -51.93 9.32 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-O 121.269 0.557 . . . . 71.52 110.893 178.384 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 131' ' ' ASN . . . . . 0.495 ' HB3' ' O ' ' A' ' 127' ' ' ALA . 4.7 t-20 -71.55 -44.04 65.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.285 -0.87 . . . . 72.12 111.207 -175.592 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 41.1 t -113.68 133.3 60.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.737 -0.665 . . . . 70.22 110.225 -170.781 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -73.6 89.68 1.74 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.734 0.778 . . . . 45.42 111.259 -177.809 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 65.5 t -112.32 105.14 18.22 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.67 0 CA-C-N 115.129 -0.942 . . . . 75.02 109.887 174.199 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 73.0 ttt180 -76.06 103.07 5.94 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.123 -0.944 . . . . 74.34 110.308 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . 0.458 HD12 ' CG ' ' A' ' 119' ' ' HIS . 30.7 mt -80.26 120.0 23.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.302 -0.408 . . . . 50.04 110.06 176.091 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . 0.547 ' O ' ' HA ' ' A' ' 100' ' ' ARG . 0.1 OUTLIER -129.63 114.63 31.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 N-CA-C 108.855 -0.794 . . . . 74.42 108.855 177.929 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . 0.667 HG11 ' HB ' ' A' ' 101' ' ' VAL . 2.4 t -112.22 133.73 57.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-O 120.976 0.417 . . . . 71.15 110.077 -175.09 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . 0.504 ' HB1' ' HA ' ' A' ' 102' ' ' ALA . . . . . . . . 0 C--N 1.322 -0.608 0 CA-C-N 115.604 -0.726 . . . . 73.13 111.01 -175.034 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 1' ' ' MET . . . . . 0.48 ' HE1' ' HB1' ' A' ' 94' ' ' ALA . 20.5 ptt? . . . . . 0 C--O 1.233 0.216 0 CA-C-O 120.688 0.28 . . . . 72.42 110.915 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 50.9 t30 -77.39 73.13 3.96 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 121.478 0.656 . . . . 61.35 110.521 178.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . 0.509 HG23 ' HB2' ' B' ' 6' ' ' LYS . 25.7 mm -60.17 132.09 25.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.259 -0.882 . . . . 72.42 111.314 175.125 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . 0.689 ' HG ' ' HD3' ' A' ' 87' ' ' PRO . 93.8 mt -83.62 -48.19 10.47 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.663 -0.699 . . . . 75.25 110.197 176.457 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 5' ' ' TYR . . . . . . . . . . . . . 35.5 t80 -135.54 126.47 27.66 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 116.333 -0.394 . . . . 75.45 110.704 -179.323 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . 0.604 ' HD3' ' HG2' ' A' ' 82' ' ' GLU . 28.7 ttmt -134.43 135.72 42.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.998 0.428 . . . . 65.01 110.936 177.026 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 10.9 t -134.01 150.34 51.23 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 115.593 -0.731 . . . . 73.02 109.058 177.546 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . 0.424 ' HB3' ' HG3' ' A' ' 82' ' ' GLU . . . -121.82 143.51 49.36 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-O 121.193 0.52 . . . . 64.22 111.81 -173.782 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . 0.576 ' HA ' ' H ' ' B' ' 22' ' ' HIS . . . -139.16 130.95 27.54 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.735 -0.666 . . . . 71.2 110.352 178.512 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 90.2 m -103.02 124.04 47.75 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.103 -0.499 . . . . 64.31 110.732 -178.059 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 73.9 p -114.94 118.9 34.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.836 0.351 . . . . 74.14 110.409 177.19 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 3.1 m -101.02 155.65 17.86 Favored 'General case' 0 C--O 1.238 0.452 0 CA-C-N 116.289 -0.414 . . . . 73.24 110.585 -179.753 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -83.62 74.79 2.47 Favored Glycine 0 N--CA 1.449 -0.47 0 N-CA-C 111.535 -0.626 . . . . 71.12 111.535 176.205 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -63.33 -100.29 0.01 OUTLIER Glycine 0 C--N 1.335 0.494 0 N-CA-C 111.998 -0.441 . . . . 73.4 111.998 178.662 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 16.7 mmt180 -88.83 -55.53 3.66 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.852 0.358 . . . . 65.14 110.079 172.453 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 16' ' ' ASP . . . . . 0.52 ' HB3' ' HA ' ' B' ' 31' ' ' SER . 37.0 t70 -126.2 -42.81 1.83 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.067 -0.515 . . . . 65.33 109.727 173.611 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -160.3 146.68 12.93 Favored Glycine 0 C--N 1.342 0.872 0 C-N-CA 120.491 -0.861 . . . . 74.22 111.724 166.68 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 18' ' ' ARG . . . . . 0.455 ' HA ' ' HA ' ' B' ' 29' ' ' LYS . 3.1 tmm_? -135.52 105.68 6.31 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 108.768 -0.827 . . . . 74.4 108.768 178.233 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 19' ' ' ALA . . . . . 0.451 ' HB3' ' HB3' ' A' ' 52' ' ' ALA . . . -101.28 123.93 46.17 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.41 -0.359 . . . . 64.31 110.757 -174.63 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 20' ' ' THR . . . . . 0.407 HG22 ' O ' ' B' ' 26' ' ' LEU . 50.1 m -132.51 117.49 18.07 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.201 -0.454 . . . . 75.11 110.659 -176.474 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 21' ' ' SER . . . . . 0.521 ' HB3' ' N ' ' B' ' 26' ' ' LEU . 27.4 t -67.2 110.39 3.46 Favored 'General case' 0 C--O 1.248 0.983 0 N-CA-C 106.858 -1.534 . . . . 74.21 106.858 174.212 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 22' ' ' HIS . . . . . 0.576 ' H ' ' HA ' ' B' ' 9' ' ' ALA . 22.8 t60 -50.43 -38.44 43.25 Favored 'General case' 0 N--CA 1.471 0.583 0 O-C-N 126.506 2.379 . . . . 73.12 112.682 -162.634 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . 0.462 ' OD2' ' HE2' ' B' ' 25' ' ' LYS . 12.6 p30 -80.41 23.82 0.48 Allowed 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 115.898 -0.592 . . . . 63.54 110.679 -177.698 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 24' ' ' GLN . . . . . 0.429 ' H ' ' C ' ' B' ' 22' ' ' HIS . 31.3 mm-40 68.54 22.34 7.72 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 115.153 -0.93 . . . . 71.43 111.281 174.396 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . 0.462 ' HE2' ' OD2' ' B' ' 23' ' ' ASP . 44.8 mtmt -79.84 -25.25 40.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.321 -0.4 . . . . 41.25 110.685 174.486 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . 0.521 ' N ' ' HB3' ' B' ' 21' ' ' SER . 27.7 tp -154.35 148.88 26.28 Favored 'General case' 0 CA--C 1.505 -0.776 0 C-N-CA 119.542 -0.863 . . . . 73.34 112.243 -178.16 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -154.59 101.72 2.35 Favored 'General case' 0 N--CA 1.444 -0.734 0 CA-C-N 114.743 -1.117 . . . . 53.33 109.942 178.304 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 3.6 m -145.14 176.36 2.15 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.643 0 CA-C-O 121.557 0.694 . . . . 74.12 112.267 178.556 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . 0.455 ' HA ' ' HA ' ' B' ' 18' ' ' ARG . 19.5 ttmt -135.35 144.57 46.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 114.808 -1.087 . . . . 74.12 109.982 -178.546 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . 0.715 ' HA ' ' H ' ' B' ' 44' ' ' THR . 0.0 OUTLIER -129.83 159.74 35.63 Favored 'General case' 0 C--O 1.253 1.275 0 CA-C-N 116.256 -0.429 . . . . 72.32 110.123 173.114 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 31' ' ' SER . . . . . 0.52 ' HA ' ' HB3' ' B' ' 16' ' ' ASP . 50.0 m -157.07 137.87 13.32 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 115.41 -0.814 . . . . 62.35 110.724 -177.16 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -51.41 113.58 4.12 Favored Pre-proline 0 C--O 1.24 0.566 0 CA-C-N 115.876 -0.602 . . . . 75.13 110.511 175.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 33' ' ' PRO . . . . . 0.585 ' HG2' HD21 ' B' ' 36' ' ' LEU . 9.6 Cg_endo -51.95 136.91 52.78 Favored 'Trans proline' 0 C--N 1.352 0.743 0 C-N-CA 123.005 2.47 . . . . 72.21 112.025 -177.5 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 34' ' ' ARG . . . . . 0.407 ' HB2' ' CA ' ' B' ' 40' ' ' GLY . 0.0 OUTLIER -67.38 -12.83 61.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 71.43 110.565 -175.893 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . 0.445 ' HB3' HD22 ' B' ' 36' ' ' LEU . 23.3 tp10 -55.7 -35.44 66.08 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-O 121.342 0.591 . . . . 72.42 110.077 175.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . 0.585 HD21 ' HG2' ' B' ' 33' ' ' PRO . 2.4 mm? -96.56 14.7 23.83 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 115.664 -0.698 . . . . 63.52 110.581 179.203 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 74.42 25.64 69.95 Favored Glycine 0 N--CA 1.453 -0.213 0 N-CA-C 111.703 -0.559 . . . . 51.22 111.703 -177.688 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -72.4 -127.73 0.09 OUTLIER Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 121.265 -0.493 . . . . 64.12 112.749 -178.294 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -103.11 -21.42 13.9 Favored 'General case' 0 C--N 1.328 -0.343 0 O-C-N 122.72 -0.283 . . . . 71.25 111.47 -176.121 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 40' ' ' GLY . . . . . 0.407 ' CA ' ' HB2' ' B' ' 34' ' ' ARG . . . 53.97 46.64 68.64 Favored Glycine 0 C--N 1.331 0.262 0 CA-C-N 116.136 -0.484 . . . . 53.13 113.42 -176.669 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -101.55 171.28 7.66 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.685 0.279 . . . . 75.21 110.26 177.797 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -85.33 69.64 10.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.784 0.802 . . . . 74.14 110.233 -174.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -138.4 -158.47 7.76 Favored Glycine 0 C--N 1.317 -0.507 0 CA-C-N 114.162 -1.381 . . . . 72.12 111.689 177.421 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 44' ' ' THR . . . . . 0.715 ' H ' ' HA ' ' B' ' 30' ' ' LEU . 14.9 t -123.43 177.78 5.47 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.767 -0.457 . . . . 70.51 109.767 179.38 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 45' ' ' ASN . . . . . 0.625 HD22 ' HB2' ' B' ' 48' ' ' GLN . 8.2 p-10 -103.34 132.66 20.89 Favored Pre-proline 0 CA--C 1.538 0.495 0 N-CA-C 110.135 -0.32 . . . . 71.14 110.135 -178.135 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 46' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -56.02 -50.02 13.62 Favored 'Trans proline' 0 C--N 1.353 0.795 0 C-N-CA 123.587 2.858 . . . . 54.41 114.428 -168.809 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.72 -30.7 70.13 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 121.298 -0.161 . . . . 73.03 110.648 -175.41 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . 0.625 ' HB2' HD22 ' B' ' 45' ' ' ASN . 0.7 OUTLIER -63.92 -48.85 74.96 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 121.031 0.444 . . . . 65.22 109.867 175.833 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -58.33 -50.85 72.18 Favored 'General case' 0 C--O 1.238 0.468 0 CA-C-N 115.317 -0.856 . . . . 73.15 110.095 -178.359 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 25.8 t80 -62.84 -43.14 99.6 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.002 -0.545 . . . . 74.53 110.911 178.242 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.23 -53.03 61.14 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-O 120.876 0.369 . . . . 63.22 111.231 178.146 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 52' ' ' ALA . . . . . 0.586 ' HB2' ' HB3' ' A' ' 19' ' ' ALA . . . -59.95 -45.55 92.28 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 115.871 -0.604 . . . . 74.31 110.54 -179.317 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . 0.485 ' HA3' HD13 ' A' ' 49' ' ' LEU . . . -65.21 -36.45 92.86 Favored Glycine 0 N--CA 1.451 -0.366 0 CA-C-N 115.7 -0.682 . . . . 73.22 112.702 179.326 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 4.9 t80 -69.93 -45.08 68.27 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 122.41 0.284 . . . . 73.43 110.36 -177.398 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 55' ' ' SER . . . . . 0.415 ' HB3' ' HB2' ' B' ' 81' ' ' ALA . 15.1 p -64.5 -47.93 77.06 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.174 -0.466 . . . . 71.55 110.161 178.518 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 56' ' ' ALA . . . . . 0.503 ' HB1' HD21 ' A' ' 30' ' ' LEU . . . -61.64 -35.08 76.89 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-O 121.283 0.563 . . . . 72.32 110.641 176.385 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 57' ' ' CYS . . . . . . . . . . . . . 41.9 t -68.62 -36.44 78.64 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 109.467 -0.568 . . . . 72.4 109.467 176.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -70.21 -30.45 67.55 Favored 'General case' 0 N--CA 1.454 -0.275 0 CA-C-N 116.062 -0.517 . . . . 61.11 109.777 -178.729 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . 0.452 ' O ' ' HG3' ' B' ' 63' ' ' LYS . 92.8 mt -64.6 -41.52 96.17 Favored 'General case' 0 C--N 1.333 -0.11 0 CA-C-O 121.111 0.481 . . . . 73.31 109.775 173.54 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 60' ' ' SER . . . . . 0.462 ' HA ' ' HZ2' ' B' ' 63' ' ' LYS . 22.1 m -66.12 -44.59 83.83 Favored 'General case' 0 C--O 1.238 0.464 0 CA-C-N 115.867 -0.606 . . . . 73.23 110.401 177.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 61' ' ' ALA . . . . . 0.404 ' O ' HG23 ' B' ' 65' ' ' VAL . . . -63.16 -37.14 86.04 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.988 -0.551 . . . . 44.1 109.864 176.504 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 62' ' ' MET . . . . . 0.624 ' HE2' ' HA ' ' B' ' 62' ' ' MET . 4.7 tpt -62.96 -38.32 90.6 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 115.51 -0.768 . . . . 71.0 109.842 177.838 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . 0.462 ' HZ2' ' HA ' ' B' ' 60' ' ' SER . 29.6 mtmm -63.02 -48.56 78.26 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 116.007 -0.542 . . . . 72.03 109.92 175.739 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 34.9 t80 -55.63 -48.93 74.13 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 116.205 -0.452 . . . . 73.11 110.753 177.439 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 65' ' ' VAL . . . . . 0.404 HG23 ' O ' ' B' ' 61' ' ' ALA . 55.0 t -55.43 -47.16 78.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.989 -0.551 . . . . 75.05 110.685 179.14 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -56.98 -32.24 65.88 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.096 0.474 . . . . 74.13 110.543 177.754 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -69.54 -31.42 70.93 Favored Glycine 0 C--N 1.33 0.22 0 CA-C-N 115.411 -0.813 . . . . 75.04 112.43 -177.106 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -94.35 -19.74 20.38 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.452 0.644 . . . . 64.5 109.487 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 20.2 m-80 -91.81 -0.08 57.51 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 114.998 -1.001 . . . . 65.21 110.664 177.54 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 3.2 mptp? 56.23 23.9 7.59 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 115.671 -0.695 . . . . 73.12 111.401 174.288 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -110.88 160.58 16.65 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.521 -0.763 . . . . 74.24 109.785 179.071 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 8.5 p -118.45 132.87 56.23 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 116.064 -0.516 . . . . 74.12 110.202 -179.5 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -109.25 140.87 22.42 Favored Pre-proline 0 CA--C 1.534 0.333 0 CA-C-N 116.172 -0.467 . . . . 75.15 110.848 -177.575 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 74' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -61.53 136.75 65.08 Favored 'Trans proline' 0 C--N 1.35 0.628 0 C-N-CA 122.974 2.449 . . . . 74.32 111.959 177.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -77.02 -15.94 59.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.921 0.391 . . . . 71.53 111.179 -179.025 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -80.73 6.66 12.22 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-O 121.364 0.602 . . . . 60.22 110.775 -178.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 77' ' ' THR . . . . . . . . . . . . . 12.6 t -75.97 166.27 23.74 Favored 'General case' 0 C--O 1.238 0.453 0 CA-C-N 115.939 -0.573 . . . . 73.25 110.719 178.435 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 12.9 t -158.46 158.12 33.51 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-O 121.454 0.645 . . . . 71.23 111.778 179.694 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 69.9 t -132.81 117.21 29.25 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-N 114.791 -1.095 . . . . 54.24 109.098 175.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 80' ' ' THR . . . . . 0.52 ' HA ' ' HA ' ' A' ' 10' ' ' THR . 12.9 m -98.06 108.46 21.18 Favored 'General case' 0 C--N 1.314 -0.948 0 CA-C-N 116.077 -0.51 . . . . 75.2 110.068 -178.662 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 81' ' ' ALA . . . . . 0.415 ' HB2' ' HB3' ' B' ' 55' ' ' SER . . . -93.08 104.61 16.8 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.525 -0.546 . . . . 73.43 109.525 178.609 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 82' ' ' GLU . . . . . 0.528 ' HB3' ' HB3' ' B' ' 98' ' ' GLU . 42.1 tt0 -107.71 107.89 18.87 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.271 -0.877 . . . . 71.23 109.281 -178.021 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 17.6 m -106.52 145.92 13.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 120.928 0.394 . . . . 71.44 110.904 -175.774 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 84' ' ' GLY . . . . . . . . . . . . . . . -135.87 159.61 24.31 Favored Glycine 0 N--CA 1.445 -0.763 0 CA-C-N 115.725 -0.671 . . . . 52.45 111.616 178.637 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 85' ' ' ILE . . . . . 0.482 HD12 ' CD2' ' B' ' 93' ' ' PHE . 0.0 OUTLIER -136.37 132.86 49.43 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 N-CA-C 109.231 -0.655 . . . . 73.1 109.231 -179.729 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -145.84 169.94 27.18 Favored Glycine 0 N--CA 1.451 -0.354 0 CA-C-N 115.043 -0.98 . . . . 52.3 110.738 178.793 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 87' ' ' PRO . . . . . 0.65 ' HD3' ' HG ' ' A' ' 4' ' ' LEU . 95.0 Cg_endo -82.49 151.95 15.37 Favored 'Trans proline' 0 N--CA 1.458 -0.591 0 C-N-CA 122.479 2.119 . . . . 70.05 112.385 -177.155 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 88' ' ' ASN . . . . . . . . . . . . . 24.0 t-20 -107.29 151.8 24.98 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 108.927 -0.768 . . . . 72.3 108.927 174.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -58.2 -25.56 61.74 Favored 'General case' 0 C--N 1.33 -0.27 0 O-C-N 123.135 0.272 . . . . 71.21 111.177 -178.104 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -67.42 -26.67 66.54 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 121.178 0.513 . . . . 74.05 110.875 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.09 35.04 3.52 Favored Glycine 0 N--CA 1.453 -0.197 0 CA-C-N 115.934 -0.575 . . . . 72.2 111.722 -176.71 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . -133.85 -174.75 13.63 Favored Glycine 0 N--CA 1.45 -0.379 0 N-CA-C 110.866 -0.894 . . . . 70.13 110.866 178.166 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 93' ' ' PHE . . . . . 0.482 ' CD2' HD12 ' B' ' 85' ' ' ILE . 47.4 m-85 -98.01 149.8 22.07 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.98 0.419 . . . . 73.12 110.468 179.629 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -136.2 134.64 38.38 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.739 -0.664 . . . . 62.21 109.482 -179.37 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -102.02 137.14 40.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.148 0.499 . . . . 74.21 111.268 -174.732 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 96' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -120.69 110.42 16.38 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 114.948 -1.024 . . . . 73.53 108.825 178.212 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 97' ' ' VAL . . . . . 0.422 ' HB ' HG23 ' B' ' 134' ' ' VAL . 51.9 t -105.27 129.69 57.67 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.777 0 CA-C-O 120.863 0.363 . . . . 65.34 110.732 -176.035 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 98' ' ' GLU . . . . . 0.528 ' HB3' ' HB3' ' B' ' 82' ' ' GLU . 1.7 tp10 -119.76 104.74 10.49 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.772 -0.649 . . . . 74.42 109.41 179.62 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 83.4 mt -99.36 106.71 18.82 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 110.34 -0.244 . . . . 75.14 110.34 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 100' ' ' ARG . . . . . 0.561 ' HA ' ' O ' ' B' ' 137' ' ' VAL . 52.6 mtt180 -98.92 115.42 28.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.104 -0.498 . . . . 70.24 110.253 -177.459 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 101' ' ' VAL . . . . . 0.406 HG11 HG23 ' B' ' 115' ' ' VAL . 78.9 t -98.87 113.44 33.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.942 -0.572 . . . . 60.12 110.949 -176.686 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -110.91 101.67 10.23 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.991 -0.374 . . . . 53.32 109.991 176.344 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 103' ' ' LEU . . . . . 0.72 HD21 HD23 ' B' ' 106' ' ' LEU . 34.2 tp -113.53 116.12 46.27 Favored Pre-proline 0 C--N 1.331 -0.214 0 N-CA-C 109.127 -0.694 . . . . 72.24 109.127 178.371 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 104' ' ' PRO . . . . . 0.528 ' HD2' HD12 ' B' ' 103' ' ' LEU . 41.9 Cg_endo -68.9 147.03 67.51 Favored 'Trans proline' 0 N--CA 1.46 -0.449 0 C-N-CA 122.568 2.179 . . . . 74.24 112.195 -175.486 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 105' ' ' GLY . . . . . . . . . . . . . . . 74.42 15.05 80.48 Favored Glycine 0 N--CA 1.45 -0.404 0 CA-C-N 115.646 -0.706 . . . . 72.34 112.07 -177.674 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 106' ' ' LEU . . . . . 0.72 HD23 HD21 ' B' ' 103' ' ' LEU . 39.7 tp -129.72 143.91 51.04 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 122.708 0.403 . . . . 65.44 110.673 -177.436 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -82.55 164.85 20.59 Favored 'General case' 0 CA--C 1.513 -0.448 0 CA-C-N 116.223 -0.444 . . . . 63.12 110.505 177.606 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 108' ' ' ALA . . . . . 0.562 ' O ' ' HG2' ' B' ' 112' ' ' LYS . . . -68.63 -45.51 71.67 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.632 -0.713 . . . . 74.55 109.87 168.802 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -58.26 -47.68 82.81 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 115.713 -0.676 . . . . 64.51 110.812 -177.241 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -70.59 -42.91 70.41 Favored 'General case' 0 C--O 1.237 0.432 0 CA-C-N 116.057 -0.519 . . . . 72.03 109.948 177.419 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -55.12 -33.1 62.58 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 115.655 -0.702 . . . . 64.14 111.623 177.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 112' ' ' LYS . . . . . 0.562 ' HG2' ' O ' ' B' ' 108' ' ' ALA . 73.9 mmtt -51.04 -48.04 61.59 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 120.782 0.325 . . . . 74.45 110.74 178.265 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 113' ' ' THR . . . . . . . . . . . . . 1.6 t -82.08 -39.72 23.01 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 116.314 -0.403 . . . . 72.03 110.992 -177.437 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 45.6 mt -63.74 -48.47 76.89 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.443 -0.344 . . . . 72.05 110.79 -177.256 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 115' ' ' VAL . . . . . 0.512 HG12 ' CD2' ' B' ' 119' ' ' HIS . 54.6 t -61.38 -40.65 86.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.181 -0.463 . . . . 63.55 110.328 177.516 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 116' ' ' ASP . . . . . 0.555 ' O ' ' HB2' ' B' ' 120' ' ' HIS . 10.8 t70 -55.47 -61.24 2.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.526 -0.761 . . . . 75.43 110.136 -179.309 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 117' ' ' ARG . . . . . . . . . . . . . 9.6 ptm85 -66.32 -41.95 88.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.724 -0.671 . . . . 70.2 111.445 -176.273 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -73.02 -21.18 60.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.176 -0.465 . . . . 61.11 112.012 -175.423 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 119' ' ' HIS . . . . . 0.512 ' CD2' HG12 ' B' ' 115' ' ' VAL . 3.7 m-70 -116.46 13.84 15.5 Favored 'General case' 0 N--CA 1.463 0.206 0 O-C-N 122.009 -0.432 . . . . 74.31 111.456 178.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 120' ' ' HIS . . . . . 0.555 ' HB2' ' O ' ' B' ' 116' ' ' ASP . 0.8 OUTLIER -83.75 -18.08 39.02 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 120.886 0.374 . . . . 73.32 110.205 -179.938 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 30.1 m -113.0 45.68 0.29 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.38 0 CA-C-N 115.74 -0.663 . . . . 73.14 111.283 -175.351 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 122' ' ' CYS . . . . . 0.6 ' SG ' ' NE ' ' B' ' 129' ' ' ARG . 25.6 p -68.9 128.54 92.78 Favored Pre-proline 0 CA--C 1.536 0.409 0 CA-C-N 116.273 -0.421 . . . . 74.53 111.152 -177.839 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 123' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -71.11 -29.45 17.62 Favored 'Trans proline' 0 C--N 1.352 0.739 0 C-N-CA 122.527 2.152 . . . . 65.25 112.146 178.548 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 124' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 . . . . . 0 N--CA 1.463 0.206 0 CA-C-N 116.303 -0.408 . . . . 65.35 110.291 178.103 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 128' ' ' THR . . . . . 0.421 ' O ' ' HB ' ' B' ' 132' ' ' VAL . 3.3 t . . . . . 0 CA--C 1.514 -0.421 0 N-CA-C 108.275 -1.009 . . . . 64.4 108.275 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 129' ' ' ARG . . . . . 0.6 ' NE ' ' SG ' ' B' ' 122' ' ' CYS . 10.2 ptp180 -126.69 -35.36 2.33 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 114.421 -1.263 . . . . 75.21 110.413 -176.809 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 130' ' ' ASN . . . . . . . . . . . . . 54.7 m-80 -78.43 -51.87 9.4 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.877 -0.601 . . . . 74.14 111.009 173.4 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 131' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -77.36 -43.74 31.81 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 121.227 0.537 . . . . 75.43 109.98 -178.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 132' ' ' VAL . . . . . 0.421 ' HB ' ' O ' ' B' ' 128' ' ' THR . 17.4 t -99.82 145.32 10.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.379 -0.828 . . . . 62.31 109.475 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 133' ' ' ALA . . . . . . . . . . . . . . . -76.07 101.28 5.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.274 0.559 . . . . 72.23 112.247 -174.015 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 134' ' ' VAL . . . . . 0.422 HG23 ' HB ' ' B' ' 97' ' ' VAL . 96.1 t -120.19 140.44 44.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.496 -0.774 . . . . 64.53 110.019 172.465 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 82.9 mtt-85 -115.64 110.26 18.93 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.724 -0.671 . . . . 74.32 109.488 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 21.1 mt -82.59 100.7 10.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.54 0.686 . . . . 72.41 109.846 176.486 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 137' ' ' VAL . . . . . 0.561 ' O ' ' HA ' ' B' ' 100' ' ' ARG . 0.2 OUTLIER -112.4 116.11 51.69 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 114.819 -1.082 . . . . 74.23 109.819 -176.242 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 138' ' ' VAL . . . . . . . . . . . . . 2.8 m -90.67 138.44 19.52 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 CA-C-N 115.679 -0.691 . . . . 70.52 109.959 -178.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 139' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.226 0 CA-C-O 118.505 -0.759 . . . . 71.35 110.695 -176.314 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.5 ptt? . . . . . 0 N--CA 1.485 1.284 0 CA-C-O 120.732 0.301 . . . . 71.43 110.858 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 33.3 t30 -73.46 74.63 1.42 Allowed 'General case' 0 CA--C 1.533 0.312 0 CA-C-O 121.244 0.545 . . . . 75.52 110.936 177.366 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.491 HG21 ' HB2' ' A' ' 6' ' ' LYS . 30.5 mm -72.48 125.0 30.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.957 -0.565 . . . . 51.02 111.511 174.615 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.736 ' HG ' ' HD3' ' B' ' 87' ' ' PRO . 89.4 mt -82.21 -45.07 15.56 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.347 -0.842 . . . . 74.21 110.134 176.309 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 39.3 t80 -137.34 127.11 25.49 Favored 'General case' 0 C--O 1.222 -0.364 0 CA-C-N 116.02 -0.536 . . . . 73.42 110.437 -178.084 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.491 ' HB2' HG21 ' A' ' 3' ' ' ILE . 31.9 ttmt -136.71 128.38 28.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.906 0.384 . . . . 62.42 110.121 175.16 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 15.2 t -133.3 154.15 50.95 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.808 -0.633 . . . . 73.02 109.662 -178.749 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.404 ' HA ' ' HA ' ' B' ' 82' ' ' GLU . . . -114.28 140.5 48.55 Favored 'General case' 0 C--O 1.237 0.431 0 CA-C-O 121.318 0.58 . . . . 64.34 112.542 -171.126 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -124.99 135.32 52.68 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.156 -0.929 . . . . 73.03 109.148 173.089 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 14.5 t -123.26 128.98 50.74 Favored 'General case' 0 N--CA 1.445 -0.687 0 N-CA-C 108.648 -0.871 . . . . 73.43 108.648 -178.436 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 71.0 m -125.34 114.61 19.12 Favored 'General case' 0 C--N 1.314 -0.943 0 CA-C-N 115.623 -0.717 . . . . 74.42 110.757 -175.189 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.1 m -101.37 157.79 16.54 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 115.586 -0.733 . . . . 72.12 110.831 -176.749 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -81.19 69.57 3.24 Favored Glycine 0 N--CA 1.451 -0.345 0 N-CA-C 111.247 -0.741 . . . . 62.44 111.247 174.691 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -57.71 -98.9 0.01 OUTLIER Glycine 0 C--N 1.336 0.57 0 C-N-CA 121.722 -0.275 . . . . 62.02 113.171 -176.473 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 17.0 mtp180 -88.71 -53.4 4.64 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.052 -0.722 . . . . 73.04 109.052 174.493 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -125.78 -42.48 1.91 Allowed 'General case' 0 C--O 1.235 0.292 0 N-CA-C 109.208 -0.664 . . . . 74.22 109.208 168.237 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.499 ' O ' ' HG3' ' A' ' 29' ' ' LYS . . . -156.56 151.98 23.38 Favored Glycine 0 C--N 1.336 0.568 0 N-CA-C 110.792 -0.923 . . . . 73.12 110.792 167.016 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.516 ' HA ' ' HA ' ' A' ' 29' ' ' LYS . 3.5 tmt_? -142.91 113.44 7.39 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 117.268 0.534 . . . . 73.24 109.668 -178.784 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -110.12 123.98 50.7 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.188 -0.46 . . . . 71.12 110.653 -175.157 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.478 HG23 ' O ' ' A' ' 26' ' ' LEU . 88.6 m -136.39 121.26 18.67 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.188 -0.46 . . . . 65.23 110.937 -175.662 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.668 ' HB3' ' N ' ' A' ' 26' ' ' LEU . 2.9 t -68.75 106.84 2.8 Favored 'General case' 0 C--O 1.248 1.008 0 N-CA-C 106.183 -1.784 . . . . 62.3 106.183 170.547 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.424 ' C ' ' H ' ' A' ' 24' ' ' GLN . 75.5 t60 -66.31 -14.63 62.32 Favored 'General case' 0 C--N 1.346 0.441 0 O-C-N 125.713 1.883 . . . . 71.44 110.505 -170.788 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.485 ' HB3' ' HE2' ' A' ' 25' ' ' LYS . 36.6 t0 -80.46 14.28 2.09 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.212 -0.904 . . . . 73.43 108.851 175.29 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.424 ' H ' ' C ' ' A' ' 22' ' ' HIS . 31.2 mm-40 69.69 30.08 3.99 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-N 114.518 -1.219 . . . . 72.53 111.213 173.006 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.485 ' HE2' ' HB3' ' A' ' 23' ' ' ASP . 51.0 mtmt -111.46 -9.58 14.21 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.939 -0.573 . . . . 73.44 111.986 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.668 ' N ' ' HB3' ' A' ' 21' ' ' SER . 41.0 tp -152.51 145.77 24.71 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 119.726 -0.79 . . . . 74.42 110.681 174.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -158.67 95.66 1.33 Allowed 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 121.012 0.434 . . . . 74.5 110.349 175.611 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 4.4 m -139.91 177.85 4.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 121.535 0.683 . . . . 62.12 111.359 178.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.516 ' HA ' ' HA ' ' A' ' 18' ' ' ARG . 16.7 ttpp -137.01 139.14 41.2 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.068 -0.969 . . . . 62.42 110.277 -177.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.57 ' HB3' ' OG1' ' A' ' 44' ' ' THR . 0.0 OUTLIER -127.25 170.99 11.85 Favored 'General case' 0 C--O 1.249 1.036 0 CA-C-N 116.038 -0.528 . . . . 73.21 110.189 179.317 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 12.6 p -159.34 147.57 17.7 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.799 -0.637 . . . . 75.34 111.285 -178.189 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -66.77 113.14 11.75 Favored Pre-proline 0 C--O 1.238 0.472 0 CA-C-N 115.772 -0.649 . . . . 52.21 110.066 175.489 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.536 ' HG3' ' ND2' ' A' ' 45' ' ' ASN . 15.5 Cg_endo -55.32 113.39 1.39 Allowed 'Trans proline' 0 C--N 1.348 0.542 0 C-N-CA 122.614 2.209 . . . . 73.33 111.497 -177.031 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.678 ' HD2' ' HA2' ' A' ' 40' ' ' GLY . 50.5 ttt180 -66.88 -6.84 18.03 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 116.308 -0.405 . . . . 64.52 111.453 -176.487 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -50.93 -21.85 1.95 Allowed 'General case' 0 N--CA 1.465 0.281 0 C-N-CA 123.483 0.713 . . . . 75.14 112.716 179.309 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 60.3 mt -117.78 35.3 4.76 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.898 0.38 . . . . 73.53 110.12 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 66.51 43.91 91.29 Favored Glycine 0 C--N 1.333 0.395 0 N-CA-C 110.955 -0.858 . . . . 72.22 110.955 -175.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -81.24 -110.55 0.34 Allowed Glycine 0 C--N 1.33 0.225 0 CA-C-N 115.115 -0.543 . . . . 73.44 113.068 -171.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -123.9 -57.54 1.61 Allowed 'General case' 0 C--O 1.234 0.247 0 CA-C-N 116.905 0.353 . . . . 63.22 111.289 -174.515 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.678 ' HA2' ' HD2' ' A' ' 34' ' ' ARG . . . -173.94 -80.07 0.05 OUTLIER Glycine 0 N--CA 1.447 -0.57 0 C-N-CA 119.411 -1.376 . . . . 45.53 114.29 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -72.64 -178.4 2.63 Favored 'General case' 0 C--O 1.235 0.33 0 N-CA-C 112.967 0.729 . . . . 51.12 112.967 -169.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -95.59 -53.51 3.7 Favored 'General case' 0 CA--C 1.498 -1.03 0 CA-C-O 123.021 1.391 . . . . 71.23 109.973 179.001 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.417 ' O ' ' HD2' ' B' ' 25' ' ' LYS . . . 40.56 -127.11 2.98 Favored Glycine 0 C--N 1.291 -1.955 0 CA-C-N 110.854 -2.885 . . . . 55.55 111.972 -177.387 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.57 ' OG1' ' HB3' ' A' ' 30' ' ' LEU . 32.8 p -129.01 156.82 43.2 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 108.707 -0.849 . . . . 74.01 108.707 170.294 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.536 ' ND2' ' HG3' ' A' ' 33' ' ' PRO . 1.1 m-20 -92.12 129.21 42.35 Favored Pre-proline 0 C--N 1.323 -0.572 0 N-CA-C 109.196 -0.668 . . . . 72.33 109.196 -179.363 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_endo -53.1 -35.62 73.4 Favored 'Trans proline' 0 CA--C 1.534 0.492 0 C-N-CA 122.578 2.185 . . . . 63.04 112.111 178.508 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.479 ' HG2' HD13 ' A' ' 95' ' ' LEU . 23.5 mp0 -71.51 -37.45 71.21 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-O 121.792 0.805 . . . . 62.13 109.092 179.611 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.499 ' HB2' HG21 ' B' ' 7' ' ' THR . 29.9 tt0 -66.89 -39.8 87.56 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 114.34 -1.3 . . . . 74.41 110.572 178.595 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.443 HD11 ' HA3' ' B' ' 53' ' ' GLY . 3.3 tm? -66.98 -47.49 71.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.695 -0.684 . . . . 71.11 109.397 179.083 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 46.3 t80 -59.44 -43.03 93.21 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.774 -0.648 . . . . 65.21 110.571 176.712 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.503 ' HB2' HG11 ' A' ' 83' ' ' VAL . . . -57.43 -53.31 59.54 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 116.174 -0.466 . . . . 52.03 111.434 177.151 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.426 ' HB2' ' HB3' ' B' ' 19' ' ' ALA . . . -59.7 -44.77 93.53 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 115.903 -0.589 . . . . 73.32 110.318 -179.615 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.494 ' O ' ' SG ' ' A' ' 57' ' ' CYS . . . -60.33 -52.12 54.58 Favored Glycine 0 C--O 1.223 -0.566 0 CA-C-N 115.533 -0.758 . . . . 45.35 112.114 178.853 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -57.11 -51.28 69.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.86 0.362 . . . . 74.55 110.449 -178.103 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.545 ' HB3' ' HB1' ' A' ' 81' ' ' ALA . 51.9 p -60.48 -52.15 66.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.457 . . . . 73.1 110.826 -177.227 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.477 ' HB1' HD23 ' B' ' 30' ' ' LEU . . . -61.47 -41.22 96.91 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-O 121.002 0.429 . . . . 72.41 110.997 179.848 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.58 ' SG ' ' HB3' ' B' ' 46' ' ' PRO . 96.2 m -63.34 -35.99 82.21 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.933 -0.576 . . . . 74.4 110.643 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 38.5 t80 -55.01 -31.82 61.34 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 116.305 -0.407 . . . . 74.24 110.345 -177.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 9.1 mp -64.21 -51.63 62.79 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.157 -0.474 . . . . 74.12 109.931 176.082 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 10.8 m -60.41 -37.72 81.73 Favored 'General case' 0 C--O 1.238 0.474 0 CA-C-O 121.214 0.53 . . . . 74.4 110.53 178.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -61.26 -49.28 77.69 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 116.0 -0.545 . . . . 64.15 109.931 177.46 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' MET . . . . . 0.455 ' HE3' ' HB3' ' A' ' 62' ' ' MET . 18.3 mtp -69.97 -20.43 63.31 Favored 'General case' 0 C--O 1.227 -0.128 0 CA-C-N 115.81 -0.632 . . . . 61.32 110.912 177.314 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 25.5 tptp -67.39 -44.84 77.89 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.159 -0.682 . . . . 62.32 109.159 174.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 33.5 t80 -63.89 -45.43 89.41 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 115.854 -0.612 . . . . 70.35 110.226 175.269 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 71.1 t -57.55 -51.37 70.79 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.17 0 CA-C-N 116.16 -0.473 . . . . 51.41 110.661 178.092 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -60.84 -29.3 69.42 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.852 -0.613 . . . . 55.45 110.172 179.236 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -71.52 -30.67 66.34 Favored Glycine 0 N--CA 1.45 -0.429 0 CA-C-N 115.547 -0.752 . . . . 65.01 112.2 -178.68 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -92.93 -22.47 19.2 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-O 121.245 0.545 . . . . 73.33 109.548 -178.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 16.6 m-80 -86.88 -1.85 58.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.04 -0.982 . . . . 73.35 110.701 176.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 9.6 mptt 60.93 26.47 16.39 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 115.919 -0.582 . . . . 70.5 111.18 177.091 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -113.44 168.09 10.04 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.086 0.469 . . . . 65.11 110.834 -178.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 33.1 p -120.94 145.65 47.48 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.661 -0.7 . . . . 71.13 109.955 178.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 96.5 mt -109.28 145.78 32.55 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.47 -0.332 . . . . 64.52 110.526 -179.587 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . 0.454 ' O ' HG23 ' A' ' 77' ' ' THR . 37.9 Cg_exo -63.07 113.79 2.18 Favored 'Trans proline' 0 C--N 1.348 0.504 0 C-N-CA 122.708 2.272 . . . . 75.32 111.659 174.802 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -74.77 2.02 11.08 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.879 0.371 . . . . 74.43 111.832 -177.486 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.485 ' HB3' ' HG3' ' A' ' 104' ' ' PRO . 38.8 t70 -93.09 5.27 52.09 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.339 0.59 . . . . 72.44 110.752 -178.657 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.492 ' HA ' ' HD3' ' A' ' 104' ' ' PRO . 5.5 t -77.29 163.35 26.56 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-N 115.824 -0.625 . . . . 74.0 111.339 -179.351 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 9.2 m -148.24 149.03 31.18 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.008 -0.738 . . . . 72.13 109.008 177.555 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 93.1 t -127.05 129.85 71.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 N-CA-C 109.709 -0.478 . . . . 73.54 109.709 176.258 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 6.7 m -108.54 111.79 23.83 Favored 'General case' 0 C--N 1.318 -0.779 0 C-N-CA 120.863 -0.335 . . . . 61.0 110.434 176.439 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.545 ' HB1' ' HB3' ' A' ' 55' ' ' SER . . . -93.22 104.31 16.5 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.552 -0.536 . . . . 75.0 109.552 176.744 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.504 ' HG2' ' HD3' ' B' ' 6' ' ' LYS . 36.5 tt0 -109.0 107.58 17.99 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.347 -0.612 . . . . 75.53 109.347 -178.447 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.503 HG11 ' HB2' ' A' ' 51' ' ' ALA . 31.1 m -108.68 144.64 16.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-O 120.929 0.395 . . . . 74.25 111.111 -174.093 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . 0.408 ' HA2' ' HA ' ' B' ' 6' ' ' LYS . . . -137.77 163.67 25.53 Favored Glycine 0 N--CA 1.442 -0.929 0 CA-C-N 115.647 -0.706 . . . . 64.22 111.853 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -135.31 130.15 50.67 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.847 0 N-CA-C 108.869 -0.789 . . . . 71.32 108.869 178.217 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -150.41 169.78 30.34 Favored Glycine 0 N--CA 1.451 -0.307 0 CA-C-N 115.161 -0.927 . . . . 64.2 111.12 178.127 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . 0.418 ' HD3' ' HG ' ' B' ' 4' ' ' LEU . 57.3 Cg_endo -71.47 134.72 25.01 Favored 'Trans proline' 0 C--O 1.235 0.371 0 C-N-CA 122.334 2.022 . . . . 75.13 112.116 -179.343 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . 0.489 ' HB2' ' HB2' ' A' ' 94' ' ' ALA . 5.4 t-20 -91.92 150.21 21.15 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.574 -0.739 . . . . 63.43 110.456 -177.676 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -57.58 -27.04 62.34 Favored 'General case' 0 CA--C 1.533 0.304 0 O-C-N 123.562 0.539 . . . . 74.31 111.567 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -69.53 -21.87 63.61 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 116.075 -0.511 . . . . 62.35 111.395 -179.553 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.27 35.32 3.41 Favored Glycine 0 CA--C 1.517 0.203 0 CA-C-N 116.276 -0.42 . . . . 52.42 112.238 -179.485 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -141.65 -152.2 5.68 Favored Glycine 0 C--O 1.23 -0.121 0 N-CA-C 110.931 -0.868 . . . . 74.12 110.931 176.603 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 54.0 m-85 -103.84 155.57 18.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 117.115 0.457 . . . . 72.25 109.915 176.399 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . 0.489 ' HB2' ' HB2' ' A' ' 88' ' ' ASN . . . -141.17 130.1 23.14 Favored 'General case' 0 C--O 1.239 0.513 0 CA-C-N 116.294 -0.412 . . . . 73.43 110.146 179.742 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.479 HD13 ' HG2' ' A' ' 47' ' ' GLU . 4.3 mm? -98.05 123.47 42.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.601 -0.727 . . . . 75.45 109.941 178.284 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -110.0 110.48 21.41 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.449 -0.796 . . . . 62.1 109.46 -179.456 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.481 HG21 HG13 ' A' ' 83' ' ' VAL . 60.6 t -106.8 110.48 31.85 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.807 0 CA-C-N 115.893 -0.594 . . . . 41.42 110.741 -176.052 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.453 ' HG2' ' HB3' ' A' ' 135' ' ' ARG . 43.6 mt-10 -98.78 110.03 22.7 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.891 0.377 . . . . 52.25 110.234 179.081 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 87.2 mt -95.59 108.41 20.67 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.074 -0.512 . . . . 73.33 110.109 179.118 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . 0.544 ' HA ' ' O ' ' A' ' 137' ' ' VAL . 61.8 ttp180 -99.11 110.4 22.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.013 -0.54 . . . . 73.43 109.808 -179.407 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 46.9 t -103.38 98.59 7.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.482 -0.326 . . . . 72.23 110.369 -174.168 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -91.89 101.49 14.06 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.92 0.391 . . . . 73.1 110.169 -179.446 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.559 ' HB3' HD22 ' A' ' 106' ' ' LEU . 0.3 OUTLIER -108.81 117.69 53.4 Favored Pre-proline 0 C--N 1.326 -0.442 0 N-CA-C 109.237 -0.653 . . . . 73.31 109.237 -177.743 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . 0.492 ' HD3' ' HA ' ' A' ' 77' ' ' THR . 61.1 Cg_endo -70.43 150.53 64.26 Favored 'Trans proline' 0 C--O 1.234 0.303 0 C-N-CA 122.85 2.367 . . . . 73.52 112.961 -177.857 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 64.31 15.43 58.93 Favored Glycine 0 CA--C 1.52 0.344 0 CA-C-N 115.536 -0.756 . . . . 54.45 113.282 178.109 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.559 HD22 ' HB3' ' A' ' 103' ' ' LEU . 27.0 tp -120.44 139.94 52.11 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.089 0.471 . . . . 65.03 110.854 -176.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -78.08 141.54 38.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.719 -0.673 . . . . 72.42 110.181 175.528 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -59.78 -40.65 88.98 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.395 -0.366 . . . . 74.35 110.953 178.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -57.0 -43.15 81.49 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 115.881 -0.6 . . . . 64.13 110.988 -179.332 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . 0.515 ' O ' HG22 ' A' ' 113' ' ' THR . . . -77.81 -38.14 47.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.043 -0.526 . . . . 73.25 110.237 178.697 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -55.89 -34.6 65.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.703 -0.68 . . . . 54.13 110.62 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . 0.429 ' O ' ' HB2' ' A' ' 116' ' ' ASP . 30.0 mmtp -54.11 -48.47 70.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.871 -0.604 . . . . 74.23 111.01 175.396 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' THR . . . . . 0.515 HG22 ' O ' ' A' ' 110' ' ' ALA . 1.2 t -74.89 -35.3 62.27 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.727 -0.215 . . . . 74.22 110.74 -177.011 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 57.8 mt -66.89 -49.5 65.4 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.899 0.381 . . . . 61.01 110.506 -178.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 73.0 t -64.57 -36.17 76.66 Favored 'Isoleucine or valine' 0 C--O 1.238 0.499 0 CA-C-N 116.056 -0.52 . . . . 72.22 110.213 178.454 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . 0.429 ' HB2' ' O ' ' A' ' 112' ' ' LYS . 8.9 t70 -59.18 -61.39 2.67 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 115.65 -0.705 . . . . 65.51 110.008 179.493 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . 0.486 ' HG2' ' O ' ' A' ' 113' ' ' THR . 14.6 ptm180 -61.59 -36.3 80.29 Favored 'General case' 0 CA--C 1.523 -0.062 0 CA-C-N 116.102 -0.499 . . . . 65.24 110.359 -177.747 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -57.96 -44.82 87.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.839 -0.619 . . . . 63.41 110.841 177.805 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 59.8 m80 -80.37 -0.13 35.6 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 116.492 -0.322 . . . . 74.13 111.654 -179.631 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 10.6 m170 -97.49 -44.53 6.8 Favored 'General case' 0 N--CA 1.464 0.256 0 N-CA-C 109.923 -0.399 . . . . 75.14 109.923 173.269 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 28.9 m -79.44 -30.49 13.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.051 -0.522 . . . . 74.54 111.077 -177.373 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 71.4 m -140.69 70.35 30.84 Favored Pre-proline 0 CA--C 1.533 0.319 0 N-CA-C 112.235 0.457 . . . . 72.12 112.235 -178.789 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_endo -89.79 147.61 4.87 Favored 'Trans proline' 0 N--CA 1.453 -0.877 0 C-N-CA 122.46 2.107 . . . . 75.04 109.675 164.706 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' TYR . . . . . 0.436 ' OH ' ' HA ' ' B' ' 47' ' ' GLU . 0.7 OUTLIER -59.04 -30.9 68.37 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-O 121.7 0.762 . . . . 65.44 109.375 -178.829 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' SER . . . . . 0.53 ' O ' HG23 ' A' ' 128' ' ' THR . 50.2 m -158.31 140.76 14.36 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 107.291 -1.374 . . . . 65.33 107.291 170.842 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 42.3 m-80 -58.62 -31.91 68.52 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 118.585 0.629 . . . . 73.42 110.433 -179.078 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . 0.615 ' O ' ' HB3' ' A' ' 131' ' ' ASN . . . -84.21 6.68 21.73 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.068 -0.515 . . . . 54.1 111.958 -179.317 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 128' ' ' THR . . . . . 0.53 HG23 ' O ' ' A' ' 125' ' ' SER . 1.7 t -93.82 -5.39 48.25 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.223 -0.658 . . . . 73.21 109.223 -172.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 3.1 ptm180 -117.94 -45.47 2.67 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.298 -0.865 . . . . 72.04 111.207 -176.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -78.46 -55.48 5.18 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-O 120.904 0.383 . . . . 71.52 110.608 175.663 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 131' ' ' ASN . . . . . 0.615 ' HB3' ' O ' ' A' ' 127' ' ' ALA . 2.7 t-20 -67.41 -43.87 80.17 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 115.803 -0.635 . . . . 72.12 110.168 -177.165 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 35.1 t -96.28 135.45 30.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.795 -0.639 . . . . 70.22 109.464 178.719 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . 0.401 ' HB3' ' O ' ' A' ' 95' ' ' LEU . . . -73.6 101.31 3.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.307 0.575 . . . . 45.42 111.836 -173.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . 0.408 HG21 ' HB ' ' A' ' 97' ' ' VAL . 50.1 t -124.05 125.0 70.13 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.348 0 CA-C-N 115.416 -0.811 . . . . 75.02 110.22 175.881 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . 0.453 ' HB3' ' HG2' ' A' ' 98' ' ' GLU . 21.4 ttt180 -100.78 119.68 38.99 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.448 -0.797 . . . . 74.34 109.718 179.576 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 41.0 mt -91.23 119.69 31.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.156 0.503 . . . . 50.04 111.265 -178.692 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . 0.544 ' O ' ' HA ' ' A' ' 100' ' ' ARG . 0.2 OUTLIER -126.65 115.1 40.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 115.526 -0.761 . . . . 74.42 109.878 178.585 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 2.9 m -91.92 138.9 18.81 Favored 'Isoleucine or valine' 0 C--O 1.238 0.486 0 CA-C-O 121.091 0.472 . . . . 71.15 110.05 -179.253 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.319 -0.737 0 CA-C-N 115.69 -0.686 . . . . 73.13 110.759 -176.915 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 1' ' ' MET . . . . . 0.482 ' HE3' ' HB1' ' A' ' 94' ' ' ALA . 18.7 ptt? . . . . . 0 C--O 1.234 0.26 0 CA-C-O 120.669 0.271 . . . . 72.42 111.059 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 43.5 t30 -77.55 74.17 4.12 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-O 121.57 0.7 . . . . 61.35 110.698 179.022 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . 0.511 HG22 ' HB2' ' B' ' 6' ' ' LYS . 30.1 mm -64.42 128.33 26.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.312 -0.858 . . . . 72.42 111.009 175.291 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . 0.418 ' HG ' ' HD3' ' A' ' 87' ' ' PRO . 94.1 mt -81.31 -43.48 19.06 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.82 -0.627 . . . . 75.25 110.253 177.706 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 5' ' ' TYR . . . . . . . . . . . . . 22.8 t80 -140.66 129.81 23.54 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 116.268 -0.424 . . . . 75.45 110.615 -179.681 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . 0.511 ' HB2' HG22 ' B' ' 3' ' ' ILE . 31.0 ttmt -138.04 135.94 36.36 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.89 0.376 . . . . 65.01 110.946 177.638 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 7' ' ' THR . . . . . 0.499 HG21 ' HB2' ' A' ' 48' ' ' GLN . 9.8 t -127.86 145.67 50.87 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-N 115.885 -0.598 . . . . 73.02 109.901 178.256 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . 0.438 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . . . -110.48 134.76 52.05 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 116.35 -0.386 . . . . 64.22 110.596 -179.637 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -125.84 128.7 48.05 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.982 -0.377 . . . . 71.2 109.982 177.013 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 5.7 t -100.98 125.81 47.61 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.175 0.512 . . . . 64.31 110.135 -178.294 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 15.3 p -116.74 113.32 22.42 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.747 -0.66 . . . . 74.14 109.778 177.235 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 3.1 m -102.52 161.58 13.61 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.797 -0.638 . . . . 73.24 111.192 -175.457 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -76.06 75.48 1.52 Allowed Glycine 0 N--CA 1.449 -0.494 0 N-CA-C 111.641 -0.584 . . . . 71.12 111.641 172.711 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -69.89 -128.6 0.06 OUTLIER Glycine 0 CA--C 1.523 0.547 0 C-N-CA 121.576 -0.345 . . . . 73.4 112.507 175.247 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 2.2 tpm_? -64.0 -55.03 25.31 Favored 'General case' 0 N--CA 1.465 0.291 0 N-CA-C 109.726 -0.472 . . . . 65.14 109.726 176.58 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 16' ' ' ASP . . . . . 0.525 ' HB3' ' HA ' ' B' ' 31' ' ' SER . 37.4 t70 -126.5 -42.32 1.82 Allowed 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 108.822 -0.807 . . . . 65.33 108.822 170.109 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -155.45 152.96 24.41 Favored Glycine 0 N--CA 1.448 -0.549 0 CA-C-N 115.496 -0.775 . . . . 74.22 111.636 169.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 18' ' ' ARG . . . . . 0.419 ' HD3' ' O ' ' B' ' 28' ' ' VAL . 3.6 tpp180 -122.57 145.64 48.16 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 108.757 -0.831 . . . . 74.4 108.757 176.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 19' ' ' ALA . . . . . 0.426 ' HB3' ' HB2' ' A' ' 52' ' ' ALA . . . -134.15 123.34 24.22 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.46 -0.57 . . . . 64.31 109.46 172.416 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 38.1 m -140.61 112.15 7.41 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.928 -0.578 . . . . 75.11 110.149 -177.487 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 21' ' ' SER . . . . . 0.481 ' CB ' ' HB3' ' B' ' 26' ' ' LEU . 20.7 t -74.74 115.45 14.34 Favored 'General case' 0 C--O 1.249 1.027 0 N-CA-C 107.531 -1.285 . . . . 74.21 107.531 176.71 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 22' ' ' HIS . . . . . . . . . . . . . 74.0 t60 -68.19 -12.95 61.82 Favored 'General case' 0 C--N 1.343 0.305 0 O-C-N 125.929 2.018 . . . . 73.12 112.182 -164.548 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . 0.452 ' OD1' ' HE2' ' B' ' 25' ' ' LYS . 23.4 p30 -80.51 11.8 3.48 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 121.683 0.754 . . . . 63.54 109.325 172.758 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 32.2 mm-40 72.0 22.54 3.73 Favored 'General case' 0 CA--C 1.51 -0.558 0 CA-C-N 113.941 -1.481 . . . . 71.43 111.25 170.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . 0.452 ' HE2' ' OD1' ' B' ' 23' ' ' ASP . 48.7 mtmt -99.23 -13.63 19.63 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-N 115.81 -0.632 . . . . 41.25 111.625 177.79 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . 0.481 ' HB3' ' CB ' ' B' ' 21' ' ' SER . 62.6 tp -140.66 138.02 34.01 Favored 'General case' 0 C--N 1.347 0.476 0 C-N-CA 119.237 -0.985 . . . . 73.34 110.899 176.221 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -158.49 94.08 1.24 Allowed 'General case' 0 N--CA 1.463 0.202 0 O-C-N 123.508 0.505 . . . . 53.33 110.484 175.583 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 28' ' ' VAL . . . . . 0.419 ' O ' ' HD3' ' B' ' 18' ' ' ARG . 4.0 m -146.71 177.89 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.728 -0.669 . . . . 74.12 110.483 178.118 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -131.74 144.19 50.79 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.868 -0.606 . . . . 74.12 110.193 -177.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . 0.578 ' HA ' ' H ' ' B' ' 44' ' ' THR . 0.0 OUTLIER -125.06 167.04 15.31 Favored 'General case' 0 C--O 1.249 1.027 0 CA-C-N 116.329 -0.396 . . . . 72.32 110.227 178.463 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 31' ' ' SER . . . . . 0.525 ' HA ' ' HB3' ' B' ' 16' ' ' ASP . 50.6 m -160.58 133.58 6.54 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 115.892 -0.595 . . . . 62.35 111.431 -173.351 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -73.63 116.52 52.47 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 115.784 -0.644 . . . . 75.13 109.454 172.269 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 33' ' ' PRO . . . . . 0.61 ' HB2' ' HG2' ' B' ' 35' ' ' GLU . 25.3 Cg_endo -61.46 153.95 62.64 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.251 1.967 . . . . 72.21 112.042 -177.695 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 4.8 mmt180 -70.56 -11.16 60.75 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.075 -0.511 . . . . 71.43 110.616 -179.653 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . 0.61 ' HG2' ' HB2' ' B' ' 33' ' ' PRO . 6.2 mm-40 -48.83 -46.01 41.43 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 121.541 0.686 . . . . 72.42 110.647 177.513 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 27.0 mt -103.94 17.61 23.75 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.213 -0.903 . . . . 63.52 110.728 -175.089 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 80.87 37.99 17.47 Favored Glycine 0 N--CA 1.452 -0.3 0 CA-C-N 115.964 -0.562 . . . . 51.22 112.157 -178.277 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -88.07 -133.54 4.3 Favored Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 120.973 -0.632 . . . . 64.12 112.28 178.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -103.56 -29.13 11.32 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.976 0.417 . . . . 71.25 110.924 -175.615 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 81.86 83.99 0.79 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.905 -0.664 . . . . 53.13 112.075 -179.088 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -164.11 147.25 9.48 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.934 -0.395 . . . . 75.21 109.934 -179.453 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -88.94 76.56 7.86 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.81 0.814 . . . . 74.14 110.671 -178.152 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -112.54 -124.87 4.37 Favored Glycine 0 N--CA 1.452 -0.277 0 CA-C-N 114.93 -1.032 . . . . 72.12 111.288 175.598 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 44' ' ' THR . . . . . 0.578 ' H ' ' HA ' ' B' ' 30' ' ' LEU . 77.3 m -127.78 144.91 51.06 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.94 -0.393 . . . . 70.51 109.94 175.433 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 45' ' ' ASN . . . . . 0.412 ' HB3' ' OE1' ' B' ' 47' ' ' GLU . 14.3 m120 -79.88 143.0 57.07 Favored Pre-proline 0 CA--C 1.534 0.351 0 CA-C-N 116.214 -0.448 . . . . 71.14 110.238 178.78 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 46' ' ' PRO . . . . . 0.58 ' HB3' ' SG ' ' A' ' 57' ' ' CYS . 38.0 Cg_exo -61.32 -64.15 0.09 OUTLIER 'Trans proline' 0 C--N 1.35 0.633 0 C-N-CA 123.18 2.587 . . . . 54.41 113.116 -176.526 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 47' ' ' GLU . . . . . 0.482 ' HG2' HG21 ' B' ' 83' ' ' VAL . 0.0 OUTLIER -63.11 -30.25 71.44 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.009 -0.541 . . . . 73.03 110.311 -175.904 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . 0.409 ' HB3' ' HB2' ' B' ' 45' ' ' ASN . 7.7 tt0 -65.01 -42.95 93.97 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.581 -0.736 . . . . 65.22 110.395 175.058 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 49' ' ' LEU . . . . . 0.415 HD13 ' HA3' ' A' ' 53' ' ' GLY . 3.3 tm? -61.09 -47.77 84.76 Favored 'General case' 0 C--O 1.235 0.333 0 N-CA-C 109.074 -0.713 . . . . 73.15 109.074 179.366 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 46.0 t80 -58.78 -46.09 88.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.695 -0.684 . . . . 74.53 110.785 175.568 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -52.45 -53.02 50.94 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.064 -0.516 . . . . 63.22 111.302 178.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.22 -46.87 88.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.054 -0.521 . . . . 74.31 110.896 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . 0.443 ' HA3' HD11 ' A' ' 49' ' ' LEU . . . -62.34 -42.06 99.73 Favored Glycine 0 N--CA 1.451 -0.309 0 CA-C-N 115.803 -0.635 . . . . 73.22 112.495 -179.322 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 8.7 t80 -75.49 -34.85 60.88 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 122.11 0.164 . . . . 73.43 110.923 -176.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 19.9 p -67.07 -44.66 79.51 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 109.881 -0.415 . . . . 71.55 109.881 178.093 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 56' ' ' ALA . . . . . 0.509 ' HB1' HD22 ' A' ' 30' ' ' LEU . . . -65.01 -43.38 92.7 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.913 -0.585 . . . . 72.32 110.361 175.72 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 57' ' ' CYS . . . . . 0.439 ' SG ' ' HE2' ' B' ' 124' ' ' TYR . 42.1 t -61.83 -36.22 80.53 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.686 -0.688 . . . . 72.4 110.627 178.363 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 11.9 t80 -60.64 -35.37 76.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.91 -0.586 . . . . 61.11 109.697 -179.043 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 96.8 mt -67.25 -41.25 85.91 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.637 -0.71 . . . . 73.31 110.121 175.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 21.2 m -64.76 -40.41 95.24 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 116.055 -0.521 . . . . 73.23 110.87 178.728 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.68 -50.71 56.31 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.009 0.433 . . . . 44.1 110.174 178.71 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 62' ' ' MET . . . . . 0.626 ' HA ' ' HE3' ' B' ' 62' ' ' MET . 3.2 tpt -58.04 -30.78 66.42 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 115.714 -0.675 . . . . 71.0 109.876 176.647 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 38.9 ttmt -70.39 -48.13 57.62 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.646 -0.706 . . . . 72.03 110.482 177.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 66.7 t80 -59.75 -36.81 77.4 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 121.118 0.485 . . . . 73.11 109.779 178.584 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 52.9 t -63.45 -49.27 83.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.643 -0.708 . . . . 75.05 109.952 173.183 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 66' ' ' ALA . . . . . 0.437 ' HA ' ' HG3' ' B' ' 71' ' ' GLN . . . -56.26 -32.55 64.63 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.116 -0.493 . . . . 74.13 111.07 -179.785 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -70.12 -30.49 69.71 Favored Glycine 0 N--CA 1.453 -0.194 0 CA-C-N 115.699 -0.682 . . . . 75.04 112.003 -177.128 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -99.15 -15.13 19.06 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.221 0.534 . . . . 64.5 109.957 -179.077 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -92.9 -2.54 55.75 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.482 -0.781 . . . . 65.21 110.51 177.289 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 60.61 22.73 12.52 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 115.683 -0.69 . . . . 73.12 111.489 176.482 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . 0.437 ' HG3' ' HA ' ' B' ' 66' ' ' ALA . 2.0 pt20 -104.75 165.04 11.34 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.223 -0.899 . . . . 74.24 109.199 175.81 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 29.1 p -126.23 138.16 53.6 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.425 -0.352 . . . . 74.12 110.16 -177.601 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 73' ' ' LEU . . . . . 0.59 HD12 ' HG3' ' B' ' 62' ' ' MET . 95.8 mt -106.97 137.88 19.65 Favored Pre-proline 0 C--N 1.324 -0.506 0 CA-C-N 116.146 -0.479 . . . . 75.15 110.294 -179.067 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 74' ' ' PRO . . . . . 0.441 ' O ' HG21 ' B' ' 77' ' ' THR . 37.9 Cg_endo -66.4 139.25 53.57 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 123.012 2.474 . . . . 74.32 112.039 177.574 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -76.76 -7.76 56.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.325 0.583 . . . . 71.53 110.577 178.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -87.82 2.79 50.47 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 115.769 -0.651 . . . . 60.22 111.093 -179.365 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 77' ' ' THR . . . . . 0.441 HG21 ' O ' ' B' ' 74' ' ' PRO . 13.0 t -77.76 157.35 30.06 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.141 -0.481 . . . . 73.25 111.236 -177.223 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 8.4 m -148.49 149.08 31.03 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.167 -0.469 . . . . 71.23 110.428 -179.714 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 74.0 t -129.77 119.52 47.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 N-CA-C 109.115 -0.698 . . . . 54.24 109.115 173.066 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 24.5 m -105.7 110.59 22.96 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.06 0.457 . . . . 75.2 110.566 -177.238 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -96.61 107.73 20.22 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.823 -0.626 . . . . 73.43 109.643 178.307 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 82' ' ' GLU . . . . . 0.404 ' HA ' ' HA ' ' A' ' 8' ' ' ALA . 35.8 tt0 -103.91 116.78 32.89 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.033 -0.728 . . . . 71.23 109.033 179.264 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . 0.482 HG21 ' HG2' ' B' ' 47' ' ' GLU . 14.2 m -105.51 146.83 11.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.959 -0.564 . . . . 71.44 111.17 -174.546 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 84' ' ' GLY . . . . . 0.414 ' HA2' ' HA ' ' A' ' 6' ' ' LYS . . . -141.94 158.64 26.79 Favored Glycine 0 N--CA 1.44 -1.073 0 CA-C-N 115.525 -0.761 . . . . 52.45 111.308 178.344 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -140.65 133.26 31.8 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 N-CA-C 109.238 -0.652 . . . . 73.1 109.238 -178.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -149.63 169.65 29.83 Favored Glycine 0 CA--C 1.517 0.212 0 O-C-N 123.875 0.734 . . . . 52.3 111.448 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 87' ' ' PRO . . . . . 0.736 ' HD3' ' HG ' ' A' ' 4' ' ' LEU . 9.3 Cg_exo -71.13 127.29 13.33 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.743 2.295 . . . . 70.05 111.714 -178.589 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 88' ' ' ASN . . . . . 0.508 ' HB2' ' HB3' ' B' ' 94' ' ' ALA . 24.6 t-20 -73.56 160.08 32.18 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.605 -0.517 . . . . 72.3 109.605 179.26 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -65.09 -16.83 63.9 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-O 120.85 0.357 . . . . 71.21 110.997 -179.376 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -74.05 -21.32 59.99 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-O 121.202 0.525 . . . . 74.05 110.619 174.129 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.24 3.07 44.8 Favored Glycine 0 CA--C 1.519 0.322 0 CA-C-N 115.953 -0.567 . . . . 72.2 112.521 -177.467 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . -98.53 -152.21 27.64 Favored Glycine 0 C--N 1.329 0.194 0 N-CA-C 111.004 -0.838 . . . . 70.13 111.004 176.593 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 93' ' ' PHE . . . . . . . . . . . . . 9.7 m-85 -102.37 155.39 18.27 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 117.299 0.55 . . . . 73.12 110.727 174.793 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 94' ' ' ALA . . . . . 0.508 ' HB3' ' HB2' ' B' ' 88' ' ' ASN . . . -144.59 139.43 28.12 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.396 -0.82 . . . . 62.21 109.312 178.362 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -100.8 149.34 23.94 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.159 0.504 . . . . 74.21 110.858 -178.078 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 96' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -137.72 110.53 7.64 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 114.92 -1.036 . . . . 73.53 108.514 178.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 97' ' ' VAL . . . . . 0.502 ' O ' ' HA ' ' B' ' 134' ' ' VAL . 2.4 p -122.92 117.44 51.8 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.082 0 CA-C-O 121.15 0.5 . . . . 65.34 111.253 -176.032 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -106.14 118.59 37.03 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.817 -0.629 . . . . 74.42 110.298 179.826 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 82.8 mt -95.89 111.81 23.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.576 -0.738 . . . . 75.14 109.572 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 100' ' ' ARG . . . . . 0.581 ' HA ' ' O ' ' B' ' 137' ' ' VAL . 86.7 mtt180 -99.04 113.35 25.5 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 110.056 -0.349 . . . . 70.24 110.056 -177.14 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 101' ' ' VAL . . . . . . . . . . . . . 82.5 t -98.21 111.64 28.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.889 -0.596 . . . . 60.12 110.559 -176.624 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -114.14 101.56 9.32 Favored 'General case' 0 C--O 1.236 0.358 0 O-C-N 123.353 0.408 . . . . 53.32 110.028 177.365 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 103' ' ' LEU . . . . . 0.672 HD22 HD23 ' B' ' 106' ' ' LEU . 31.8 tp -113.85 120.4 39.14 Favored Pre-proline 0 C--N 1.324 -0.523 0 N-CA-C 108.687 -0.856 . . . . 72.24 108.687 178.754 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 104' ' ' PRO . . . . . 0.455 ' HD2' HD13 ' B' ' 103' ' ' LEU . 39.2 Cg_endo -69.91 144.27 52.74 Favored 'Trans proline' 0 N--CA 1.459 -0.52 0 C-N-CA 122.083 1.855 . . . . 74.24 111.978 -175.878 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 105' ' ' GLY . . . . . . . . . . . . . . . 72.0 15.17 76.26 Favored Glycine 0 CA--C 1.521 0.439 0 CA-C-N 115.38 -0.827 . . . . 72.34 112.622 -176.815 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 106' ' ' LEU . . . . . 0.672 HD23 HD22 ' B' ' 103' ' ' LEU . 36.2 tp -118.47 139.5 51.32 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 120.913 0.387 . . . . 65.44 111.121 -179.128 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -86.13 148.36 25.72 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.605 -0.725 . . . . 63.12 110.318 174.027 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 108' ' ' ALA . . . . . 0.488 ' O ' ' HG2' ' B' ' 112' ' ' LYS . . . -61.46 -38.88 88.84 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.851 0.357 . . . . 74.55 110.695 178.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -55.59 -42.37 74.71 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 115.946 -0.57 . . . . 64.51 111.379 -179.549 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 110' ' ' ALA . . . . . 0.488 ' O ' HG22 ' B' ' 113' ' ' THR . . . -77.8 -38.08 47.3 Favored 'General case' 0 C--O 1.239 0.539 0 CA-C-O 121.402 0.62 . . . . 72.03 110.173 177.342 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 111' ' ' ALA . . . . . 0.462 ' O ' HG23 ' B' ' 115' ' ' VAL . . . -56.14 -34.91 66.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.395 -0.821 . . . . 64.14 110.809 179.248 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 112' ' ' LYS . . . . . 0.488 ' HG2' ' O ' ' B' ' 108' ' ' ALA . 29.7 mmmt -53.74 -49.37 68.3 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-N 116.29 -0.414 . . . . 74.45 110.691 177.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 113' ' ' THR . . . . . 0.488 HG22 ' O ' ' B' ' 110' ' ' ALA . 1.3 t -74.73 -36.2 62.67 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.399 -0.364 . . . . 72.03 110.364 -177.352 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 114' ' ' LEU . . . . . 0.438 ' HG ' ' O ' ' B' ' 110' ' ' ALA . 51.9 mt -63.16 -46.09 88.78 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-O 120.876 0.369 . . . . 72.05 110.645 -178.857 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 115' ' ' VAL . . . . . 0.522 HG22 HG13 ' B' ' 138' ' ' VAL . 58.3 t -68.69 -36.7 75.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.992 -0.549 . . . . 63.55 110.251 178.595 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -58.87 -51.93 67.93 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-N 116.11 -0.496 . . . . 75.43 110.648 179.535 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 117' ' ' ARG . . . . . 0.477 ' HG2' ' O ' ' B' ' 113' ' ' THR . 5.9 ptm180 -69.98 -46.79 64.43 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-N 115.892 -0.595 . . . . 70.2 110.805 -177.371 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -60.71 -45.33 94.66 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 121.18 0.514 . . . . 61.11 110.983 -176.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 119' ' ' HIS . . . . . 0.53 ' CD2' ' HB3' ' B' ' 129' ' ' ARG . 46.3 t60 -75.0 -1.16 21.4 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 115.753 -0.658 . . . . 74.31 110.683 -177.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 120' ' ' HIS . . . . . 0.52 ' HB2' ' NH1' ' B' ' 129' ' ' ARG . 42.3 t-80 -108.58 -40.94 4.95 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 116.152 -0.476 . . . . 73.32 111.16 178.837 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 121' ' ' VAL . . . . . 0.418 HG21 ' O ' ' B' ' 117' ' ' ARG . 24.4 m -92.45 -26.58 4.84 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.428 0 N-CA-C 112.373 0.508 . . . . 73.14 112.373 -172.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 122' ' ' CYS . . . . . 0.535 ' N ' ' HD3' ' B' ' 123' ' ' PRO . 66.6 m -139.45 58.01 11.33 Favored Pre-proline 0 CA--C 1.534 0.342 0 CA-C-O 120.8 0.333 . . . . 74.53 111.815 -178.66 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 123' ' ' PRO . . . . . 0.535 ' HD3' ' N ' ' B' ' 122' ' ' CYS . 53.7 Cg_endo -101.0 -170.3 0.09 OUTLIER 'Trans proline' 0 N--CA 1.452 -0.952 0 C-N-CA 123.274 2.649 . . . . 65.25 111.668 174.072 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 124' ' ' TYR . . . . . 0.439 ' HE2' ' SG ' ' B' ' 57' ' ' CYS . 4.3 m-30 . . . . . 0 C--N 1.328 -0.34 0 N-CA-C 109.795 -0.446 . . . . 65.35 109.795 172.513 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 128' ' ' THR . . . . . 0.512 HG21 ' NE2' ' B' ' 119' ' ' HIS . 4.5 t . . . . . 0 CA--C 1.516 -0.356 0 N-CA-C 108.418 -0.956 . . . . 64.4 108.418 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 129' ' ' ARG . . . . . 0.53 ' HB3' ' CD2' ' B' ' 119' ' ' HIS . 15.7 ptm180 -135.45 -52.46 0.76 Allowed 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 114.829 -1.078 . . . . 75.21 111.005 178.291 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 130' ' ' ASN . . . . . . . . . . . . . 83.9 m-20 -78.91 -28.1 43.89 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.788 -0.642 . . . . 74.14 112.217 -175.28 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 131' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -98.62 -42.31 7.32 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.999 0.428 . . . . 75.43 111.025 -175.609 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 132' ' ' VAL . . . . . . . . . . . . . 67.5 t -100.31 139.37 21.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.862 -0.608 . . . . 62.31 110.487 -173.796 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 133' ' ' ALA . . . . . . . . . . . . . . . -69.26 83.33 0.36 Allowed 'General case' 0 C--O 1.241 0.62 0 CA-C-O 121.89 0.852 . . . . 72.23 111.023 -178.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 134' ' ' VAL . . . . . 0.502 ' HA ' ' O ' ' B' ' 97' ' ' VAL . 22.1 t -114.26 122.87 69.25 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.801 0 CA-C-N 114.29 -1.323 . . . . 64.53 110.07 177.459 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 2.5 tpm_? -94.03 105.47 17.48 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.652 -0.499 . . . . 74.32 109.652 176.449 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 80.7 mt -77.29 101.96 6.51 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-O 121.339 0.59 . . . . 72.41 109.657 175.767 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 137' ' ' VAL . . . . . 0.581 ' O ' ' HA ' ' B' ' 100' ' ' ARG . 0.2 OUTLIER -112.99 114.59 47.41 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 CA-C-N 114.707 -1.133 . . . . 74.23 110.062 -176.979 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 138' ' ' VAL . . . . . 0.522 HG13 HG22 ' B' ' 115' ' ' VAL . 3.5 m -96.81 138.61 21.44 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-N 115.172 -0.922 . . . . 70.52 109.302 -179.035 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 139' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.219 0 CA-C-O 118.548 -0.739 . . . . 71.35 110.87 -175.174 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.4 ptt? . . . . . 0 N--CA 1.485 1.32 0 N-CA-C 110.629 -0.137 . . . . 71.43 110.629 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 55.9 t30 -73.39 77.95 1.38 Allowed 'General case' 0 CA--C 1.532 0.269 0 CA-C-O 121.429 0.633 . . . . 75.52 110.696 176.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.495 HG23 ' HB2' ' A' ' 6' ' ' LYS . 38.2 mm -71.33 136.74 25.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.382 -0.826 . . . . 51.02 111.346 175.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.584 ' HG ' ' HD3' ' B' ' 87' ' ' PRO . 89.9 mt -90.5 -47.36 7.75 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.558 -0.746 . . . . 74.21 110.208 175.397 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 50.8 t80 -136.2 130.73 33.6 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.39 -0.368 . . . . 73.42 110.144 178.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.495 ' HB2' HG23 ' A' ' 3' ' ' ILE . 37.6 ttmt -130.02 132.49 46.25 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.939 0.4 . . . . 62.42 110.804 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 10.1 t -124.17 174.02 7.94 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.695 -0.684 . . . . 73.02 109.458 177.681 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -145.6 134.67 22.69 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-O 120.701 0.286 . . . . 64.34 110.998 -177.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -130.78 120.36 23.65 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.889 -0.596 . . . . 73.03 109.807 178.655 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.533 ' HA ' ' HA ' ' B' ' 80' ' ' THR . 13.7 t -98.31 146.85 25.26 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.953 -0.388 . . . . 73.43 109.953 -177.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 41.4 p -144.53 114.4 7.31 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.894 0.378 . . . . 74.42 111.551 -177.505 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 6.8 m -89.94 159.22 17.03 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.07 -0.514 . . . . 72.12 110.451 178.674 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -92.27 47.85 2.64 Favored Glycine 0 N--CA 1.454 -0.119 0 N-CA-C 110.985 -0.846 . . . . 62.44 110.985 174.497 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -44.04 -98.27 0.01 OUTLIER Glycine 0 C--N 1.341 0.815 0 N-CA-C 114.973 0.749 . . . . 62.02 114.973 -169.271 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.524 ' HA ' ' NE ' ' A' ' 15' ' ' ARG . 4.2 mmp_? -89.17 -54.87 3.91 Favored 'General case' 0 N--CA 1.464 0.243 0 O-C-N 122.481 -0.423 . . . . 73.04 110.085 178.852 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -123.2 -43.28 2.21 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 108.026 -1.102 . . . . 74.22 108.026 171.472 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.417 ' O ' ' HG3' ' A' ' 29' ' ' LYS . . . -164.78 164.41 36.93 Favored Glycine 0 C--N 1.338 0.671 0 N-CA-C 111.36 -0.696 . . . . 73.12 111.36 163.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.472 ' HA ' ' HA ' ' A' ' 29' ' ' LYS . 38.3 ttm180 -140.04 145.85 38.24 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 109.383 -0.599 . . . . 73.24 109.383 177.34 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.448 ' HB2' ' HB3' ' B' ' 56' ' ' ALA . . . -144.43 123.88 13.14 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.988 0.423 . . . . 71.12 110.22 178.219 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 31.9 m -138.28 111.58 8.01 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.845 -0.616 . . . . 65.23 110.598 -178.335 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.565 ' HB3' ' N ' ' A' ' 26' ' ' LEU . 29.0 t -70.58 107.81 4.05 Favored 'General case' 0 C--O 1.245 0.849 0 N-CA-C 107.138 -1.43 . . . . 62.3 107.138 173.023 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.442 ' C ' ' H ' ' A' ' 24' ' ' GLN . 0.0 OUTLIER -58.52 -21.07 51.07 Favored 'General case' 0 N--CA 1.468 0.446 0 O-C-N 125.359 1.662 . . . . 71.44 112.465 -163.785 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -80.45 16.46 1.32 Allowed 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.672 -0.492 . . . . 73.43 109.672 177.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.442 ' H ' ' C ' ' A' ' 22' ' ' HIS . 30.0 mm-40 65.29 22.05 12.05 Favored 'General case' 0 CA--C 1.521 -0.166 0 CA-C-N 115.186 -0.915 . . . . 72.53 110.292 -179.63 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.533 ' HE2' ' HA ' ' A' ' 25' ' ' LYS . 11.5 mmpt? -81.11 -22.82 38.83 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.439 -0.801 . . . . 73.44 109.9 177.154 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.565 ' N ' ' HB3' ' A' ' 21' ' ' SER . 45.9 tp -154.09 142.93 21.03 Favored 'General case' 0 C--O 1.225 -0.234 0 C-N-CA 120.625 -0.43 . . . . 74.42 110.712 177.642 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -155.88 96.8 1.77 Allowed 'General case' 0 C--N 1.327 -0.373 0 O-C-N 123.312 0.383 . . . . 74.5 110.777 174.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.401 HG22 HD11 ' A' ' 26' ' ' LEU . 2.6 m -147.75 166.15 5.44 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.226 0 CA-C-O 121.608 0.718 . . . . 62.12 111.577 176.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.472 ' HA ' ' HA ' ' A' ' 18' ' ' ARG . 10.9 ttpp -110.67 137.23 48.61 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 114.707 -1.133 . . . . 62.42 109.068 172.641 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.613 ' HB2' ' O ' ' A' ' 44' ' ' THR . 0.0 OUTLIER -123.92 177.25 5.85 Favored 'General case' 0 C--O 1.249 1.07 0 CA-C-O 120.997 0.427 . . . . 73.21 110.796 -178.493 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.491 ' HB3' ' HB3' ' A' ' 41' ' ' ALA . 34.0 p -152.84 130.24 11.36 Favored 'General case' 0 N--CA 1.446 -0.66 0 CA-C-N 115.391 -0.822 . . . . 75.34 111.338 -173.535 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.415 ' HB3' ' HB3' ' B' ' 60' ' ' SER . . . -68.59 162.64 61.15 Favored Pre-proline 0 C--N 1.326 -0.448 0 N-CA-C 109.079 -0.711 . . . . 52.21 109.079 171.517 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_exo -59.09 82.79 0.05 OUTLIER 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 121.56 1.507 . . . . 73.33 111.47 175.458 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.503 ' HG3' ' N ' ' A' ' 40' ' ' GLY . 4.0 tmt_? -56.26 -21.5 24.15 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-O 121.21 0.528 . . . . 64.52 110.109 177.667 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 36.7 mm-40 -54.31 -26.6 30.37 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.171 -0.922 . . . . 75.14 111.654 176.747 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 61.0 mt -113.21 -39.42 4.17 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.115 -0.493 . . . . 73.53 110.585 -173.501 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 172.97 65.22 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 121.155 -0.545 . . . . 72.22 112.125 178.445 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.489 ' N ' ' HA ' ' A' ' 34' ' ' ARG . . . -111.37 -132.69 6.08 Favored Glycine 0 N--CA 1.46 0.292 0 C-N-CA 120.738 -0.744 . . . . 73.44 112.578 178.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -134.6 -28.05 1.28 Allowed 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 122.521 0.329 . . . . 63.22 111.178 179.57 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.503 ' N ' ' HG3' ' A' ' 34' ' ' ARG . . . 107.34 96.2 2.44 Favored Glycine 0 C--N 1.336 0.538 0 C-N-CA 120.858 -0.687 . . . . 45.53 113.325 176.79 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.491 ' HB3' ' HB3' ' A' ' 31' ' ' SER . . . -164.62 161.27 20.84 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.698 -0.482 . . . . 51.12 109.698 174.351 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -103.43 66.12 0.87 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.36 0.6 . . . . 71.23 110.452 -178.354 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.448 ' HA3' ' HA ' ' A' ' 30' ' ' LEU . . . -120.15 -152.37 8.95 Favored Glycine 0 N--CA 1.452 -0.274 0 CA-C-N 115.974 -0.557 . . . . 55.55 112.598 -177.632 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.613 ' O ' ' HB2' ' A' ' 30' ' ' LEU . 62.3 m -98.62 140.77 32.34 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 122.562 0.345 . . . . 74.01 110.422 -177.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 19.2 m120 -80.39 131.62 61.32 Favored Pre-proline 0 C--N 1.325 -0.49 0 N-CA-C 110.653 -0.128 . . . . 72.33 110.653 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.816 ' HB3' ' SG ' ' B' ' 57' ' ' CYS . 90.7 Cg_exo -47.62 -45.65 22.98 Favored 'Trans proline' 0 C--N 1.351 0.671 0 C-N-CA 123.605 2.87 . . . . 63.04 112.705 178.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.535 ' HG2' HD11 ' A' ' 95' ' ' LEU . 3.7 mp0 -56.29 -50.74 70.53 Favored 'General case' 0 C--O 1.238 0.466 0 CA-C-N 115.458 -0.792 . . . . 62.13 109.78 -178.531 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -65.7 -38.44 89.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 114.844 -1.071 . . . . 74.41 110.122 -178.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.475 HD13 ' HA3' ' B' ' 53' ' ' GLY . 1.9 tm? -60.25 -51.42 69.64 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.226 -0.443 . . . . 71.11 109.884 -177.04 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 55.8 t80 -62.54 -47.82 82.2 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.153 -0.476 . . . . 65.21 110.44 178.082 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.461 ' HB2' ' HB1' ' A' ' 81' ' ' ALA . . . -55.03 -53.25 58.19 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 116.321 -0.4 . . . . 52.03 111.756 -179.314 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.51 -47.07 77.23 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.214 -0.448 . . . . 73.32 110.672 -178.207 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -58.57 -38.45 91.33 Favored Glycine 0 C--O 1.227 -0.288 0 CA-C-N 115.857 -0.61 . . . . 45.35 111.89 177.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -68.3 -42.09 79.95 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 122.595 0.358 . . . . 74.55 110.139 178.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.411 ' OG ' ' HB3' ' A' ' 81' ' ' ALA . 50.8 m -61.74 -52.27 64.94 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-O 121.123 0.487 . . . . 73.1 110.208 178.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.465 ' HB2' HD23 ' B' ' 30' ' ' LEU . . . -60.79 -42.51 97.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.771 -0.65 . . . . 72.41 110.582 177.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 50.8 t -61.97 -36.5 81.63 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.048 -0.523 . . . . 74.4 110.257 178.426 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 21.9 t80 -66.91 -34.87 78.72 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 109.697 -0.483 . . . . 74.24 109.697 -179.376 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.445 HD23 HG22 ' A' ' 79' ' ' VAL . 96.0 mt -70.78 -34.85 72.23 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 115.964 -0.562 . . . . 74.12 110.594 176.695 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 33.2 t -68.71 -44.61 73.55 Favored 'General case' 0 C--O 1.236 0.362 0 N-CA-C 109.523 -0.547 . . . . 74.4 109.523 175.658 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.421 ' O ' HG21 ' A' ' 65' ' ' VAL . . . -60.08 -50.43 73.73 Favored 'General case' 0 C--O 1.223 -0.324 0 CA-C-N 115.622 -0.717 . . . . 64.15 110.169 178.093 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.94 -32.09 69.29 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 116.233 -0.439 . . . . 61.32 110.968 177.64 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.622 ' HB2' ' HZ1' ' A' ' 63' ' ' LYS . 4.4 ttmp? -65.0 -49.4 70.39 Favored 'General case' 0 C--O 1.235 0.322 0 N-CA-C 109.814 -0.439 . . . . 62.32 109.814 177.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 84.4 t80 -64.31 -43.84 93.43 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 115.812 -0.631 . . . . 70.35 110.729 178.287 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.421 HG21 ' O ' ' A' ' 61' ' ' ALA . 54.3 t -54.7 -49.71 65.97 Favored 'Isoleucine or valine' 0 C--O 1.235 0.298 0 CA-C-N 116.138 -0.483 . . . . 51.41 110.167 177.567 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.459 ' HA ' ' HG3' ' A' ' 71' ' ' GLN . . . -56.29 -32.78 64.9 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.962 -0.563 . . . . 55.45 109.881 176.472 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -71.91 -29.45 67.1 Favored Glycine 0 CA--C 1.518 0.234 0 CA-C-N 115.219 -0.9 . . . . 65.01 112.585 -177.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -99.05 -9.54 23.77 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 121.282 0.563 . . . . 73.33 109.858 -179.491 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 24.1 m-80 -103.2 3.02 35.2 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.357 -0.838 . . . . 73.35 110.113 175.424 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.435 ' N ' ' HD3' ' A' ' 70' ' ' LYS . 17.7 mmtp 64.6 19.64 11.88 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 114.868 -1.06 . . . . 70.5 111.422 171.082 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.459 ' HG3' ' HA ' ' A' ' 66' ' ' ALA . 4.0 pt20 -110.68 168.44 9.47 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.11 -0.95 . . . . 65.11 110.063 -179.213 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 3.6 p -127.93 138.05 52.5 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.346 -0.388 . . . . 71.13 110.43 178.14 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 94.7 mt -109.12 143.42 27.62 Favored Pre-proline 0 CA--C 1.533 0.323 0 CA-C-N 116.086 -0.507 . . . . 64.52 110.01 -178.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.446 ' HB2' ' HG2' ' A' ' 104' ' ' PRO . 31.5 Cg_exo -59.69 131.66 41.29 Favored 'Trans proline' 0 C--N 1.352 0.711 0 C-N-CA 123.048 2.498 . . . . 75.32 112.564 -178.222 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -77.28 0.38 22.3 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 112.054 0.39 . . . . 74.43 112.054 -177.749 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -90.96 1.29 57.16 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.21 0.529 . . . . 72.44 111.172 -178.622 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.411 ' HB ' HD11 ' A' ' 103' ' ' LEU . 9.9 t -74.21 152.55 39.75 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.732 -0.667 . . . . 74.0 112.092 -173.803 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 14.4 m -146.77 149.32 33.15 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 115.577 -0.738 . . . . 72.13 110.164 179.505 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.445 HG22 HD23 ' A' ' 59' ' ' LEU . 69.8 t -126.55 121.65 59.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 N-CA-C 109.564 -0.532 . . . . 73.54 109.564 175.122 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 18.4 m -104.79 111.81 24.69 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.946 0.403 . . . . 61.0 110.626 -178.289 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.461 ' HB1' ' HB2' ' A' ' 51' ' ' ALA . . . -96.37 108.81 21.38 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.913 -0.585 . . . . 75.0 110.07 -179.055 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.422 ' HA ' ' HA ' ' B' ' 8' ' ' ALA . 41.7 tt0 -105.47 107.86 19.07 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.171 -0.468 . . . . 75.53 109.998 -177.351 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.459 HG11 ' HB ' ' A' ' 97' ' ' VAL . 24.7 m -104.85 137.67 33.06 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.329 0 CA-C-O 121.079 0.466 . . . . 74.25 111.642 -174.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -133.85 154.38 21.3 Favored Glycine 0 N--CA 1.444 -0.815 0 N-CA-C 110.78 -0.928 . . . . 64.22 110.78 174.342 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.417 ' CG2' ' HB3' ' B' ' 5' ' ' TYR . 0.0 OUTLIER -137.37 132.54 45.85 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 N-CA-C 109.603 -0.517 . . . . 71.32 109.603 -179.826 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -150.74 169.55 30.56 Favored Glycine 0 CA--C 1.517 0.195 0 CA-C-N 115.635 -0.711 . . . . 64.2 111.496 178.203 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . 0.647 ' HD3' ' HG ' ' B' ' 4' ' ' LEU . 3.4 Cg_exo -78.97 120.16 4.55 Favored 'Trans proline' 0 N--CA 1.46 -0.498 0 C-N-CA 122.757 2.305 . . . . 75.13 111.181 -178.403 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . 0.461 ' HB3' ' HB2' ' A' ' 94' ' ' ALA . 32.7 p30 -84.87 168.92 14.62 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.997 0.427 . . . . 63.43 111.131 -177.617 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -55.74 -27.74 52.2 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 115.346 -0.843 . . . . 74.31 111.131 178.407 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -69.34 -27.42 65.33 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 116.05 -0.523 . . . . 62.35 110.832 -177.374 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.12 15.84 20.56 Favored Glycine 0 C--O 1.233 0.078 0 C-N-CA 121.125 -0.56 . . . . 52.42 112.298 179.197 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -121.92 -165.39 12.52 Favored Glycine 0 N--CA 1.452 -0.278 0 N-CA-C 111.254 -0.739 . . . . 74.12 111.254 176.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 41.4 m-85 -98.05 129.38 44.9 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.905 0.383 . . . . 72.25 110.07 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.461 ' HB2' ' HB3' ' A' ' 88' ' ' ASN . . . -116.95 134.38 54.83 Favored 'General case' 0 C--O 1.238 0.496 0 CA-C-N 115.827 -0.624 . . . . 73.43 110.252 -178.435 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.535 HD11 ' HG2' ' A' ' 47' ' ' GLU . 4.4 mm? -100.95 120.36 40.06 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.572 -0.74 . . . . 75.45 110.685 -179.335 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -110.03 110.34 21.22 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 108.406 -0.961 . . . . 62.1 108.406 175.314 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.459 ' HB ' HG11 ' A' ' 83' ' ' VAL . 2.1 p -119.97 111.95 34.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 121.47 0.652 . . . . 41.42 111.648 -175.743 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.453 ' HA ' ' HB2' ' A' ' 135' ' ' ARG . 51.0 mt-10 -84.99 105.97 16.14 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.333 -0.849 . . . . 52.25 109.205 176.462 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 23.9 tp -93.65 109.47 21.11 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.562 -0.533 . . . . 73.33 109.562 -177.561 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.583 ' HA ' ' O ' ' A' ' 137' ' ' VAL . 49.6 mtt-85 -99.46 116.72 32.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.034 -0.53 . . . . 73.43 110.726 -173.335 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 41.9 t -103.72 99.77 9.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 115.938 -0.573 . . . . 72.23 110.339 -176.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -99.12 101.66 13.08 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-O 120.876 0.369 . . . . 73.1 110.411 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.751 HD23 HD22 ' A' ' 106' ' ' LEU . 32.7 tp -115.71 117.46 40.04 Favored Pre-proline 0 C--N 1.328 -0.368 0 N-CA-C 109.3 -0.63 . . . . 73.31 109.3 179.131 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . 0.519 ' HD2' HD11 ' A' ' 103' ' ' LEU . 57.4 Cg_endo -71.79 150.7 56.39 Favored 'Trans proline' 0 C--O 1.235 0.327 0 C-N-CA 122.764 2.309 . . . . 73.52 112.075 -177.303 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 73.56 15.13 79.28 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.688 -0.767 . . . . 54.45 111.94 -177.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.751 HD22 HD23 ' A' ' 103' ' ' LEU . 41.8 tp -129.9 143.04 50.6 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 122.706 0.402 . . . . 65.03 110.919 -176.798 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -81.06 165.54 21.56 Favored 'General case' 0 CA--C 1.511 -0.522 0 CA-C-N 116.08 -0.509 . . . . 72.42 110.835 177.474 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . 0.454 ' O ' ' HG3' ' A' ' 112' ' ' LYS . . . -68.77 -46.47 68.69 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.723 -0.671 . . . . 74.35 109.763 168.463 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -59.41 -41.5 89.64 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-N 115.251 -0.886 . . . . 64.13 111.019 -176.609 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . 0.549 ' O ' HG21 ' A' ' 113' ' ' THR . . . -76.64 -43.44 38.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.135 -0.484 . . . . 73.25 109.986 177.691 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -54.53 -34.9 62.57 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 116.054 -0.521 . . . . 54.13 111.369 178.421 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . 0.596 ' HZ2' ' HB3' ' A' ' 112' ' ' LYS . 10.5 mtpm? -54.63 -49.57 70.2 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.392 -0.367 . . . . 74.23 111.031 179.58 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' THR . . . . . 0.549 HG21 ' O ' ' A' ' 110' ' ' ALA . 5.8 t -74.71 -40.07 61.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.851 0.357 . . . . 74.22 110.308 -178.516 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.431 ' HG ' ' O ' ' A' ' 110' ' ' ALA . 42.6 mt -61.97 -49.05 77.66 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.211 -0.45 . . . . 61.01 111.123 -176.836 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 93.7 t -66.11 -35.68 75.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 121.018 0.437 . . . . 72.22 110.074 178.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -60.41 -60.54 3.65 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 115.636 -0.711 . . . . 65.51 110.401 179.446 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . 0.532 ' HG2' ' O ' ' A' ' 113' ' ' THR . 12.1 ptm180 -62.91 -38.05 89.41 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.955 -0.566 . . . . 65.24 110.829 -177.552 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -59.34 -51.11 71.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.994 -0.548 . . . . 63.41 110.675 178.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 37.0 t-80 -68.13 -21.56 64.92 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 116.37 -0.377 . . . . 74.13 110.512 -179.262 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 17.3 m170 -71.53 -54.57 10.11 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 120.948 0.404 . . . . 75.14 110.653 177.293 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 34.3 m -75.04 -29.51 22.15 Favored 'Isoleucine or valine' 0 C--O 1.235 0.306 0 CA-C-N 115.872 -0.604 . . . . 74.54 111.743 -173.516 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 14.1 p -145.82 88.89 6.3 Favored Pre-proline 0 CA--C 1.532 0.264 0 CA-C-O 120.836 0.351 . . . . 72.12 111.044 -179.743 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . 0.496 ' O ' ' HB2' ' A' ' 124' ' ' TYR . 17.6 Cg_endo -91.83 -78.19 0.0 OUTLIER 'Trans proline' 0 N--CA 1.453 -0.868 0 C-N-CA 122.888 2.392 . . . . 75.04 111.798 174.427 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . 0.496 ' HB2' ' O ' ' A' ' 123' ' ' PRO . 0.3 OUTLIER 165.14 -34.44 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 106.609 -1.626 . . . . 65.44 106.609 177.658 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' SER . . . . . 0.477 ' O ' HG21 ' A' ' 128' ' ' THR . 42.1 p -166.1 155.08 11.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 113.722 -1.581 . . . . 65.33 107.901 171.847 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 16.1 m120 -63.73 -31.98 73.32 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.867 0.842 . . . . 73.42 109.417 178.238 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . 0.508 ' O ' ' HB3' ' A' ' 131' ' ' ASN . . . -80.54 6.7 11.74 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 114.859 -1.064 . . . . 54.1 112.279 -176.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' THR . . . . . 0.477 HG21 ' O ' ' A' ' 125' ' ' SER . 5.1 t -89.06 -5.0 58.19 Favored 'General case' 0 CA--C 1.514 -0.414 0 N-CA-C 107.807 -1.183 . . . . 73.21 107.807 -175.848 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 7.4 ptm180 -129.94 -40.08 1.36 Allowed 'General case' 0 N--CA 1.444 -0.766 0 CA-C-N 114.066 -1.424 . . . . 72.04 109.622 179.276 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 88.3 m-20 -78.71 -26.16 44.79 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.336 -0.847 . . . . 71.52 111.592 -177.366 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . 0.508 ' HB3' ' O ' ' A' ' 127' ' ' ALA . 2.7 t-20 -103.97 -40.09 6.34 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 121.269 0.557 . . . . 72.12 109.563 178.871 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 20.9 t -98.16 121.52 48.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 115.306 -0.861 . . . . 70.22 109.876 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -76.16 98.65 4.45 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.086 0.469 . . . . 45.42 111.012 -176.765 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 9.8 t -110.39 133.52 55.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.834 -0.621 . . . . 75.02 111.014 -179.718 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . 0.453 ' HB2' ' HA ' ' A' ' 98' ' ' GLU . 18.7 mmt180 -96.47 106.84 19.15 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.645 -0.872 . . . . 74.34 108.645 173.734 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 28.4 mt -77.27 101.56 6.31 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-O 121.445 0.641 . . . . 50.04 110.192 177.387 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . 0.583 ' O ' ' HA ' ' A' ' 100' ' ' ARG . 0.2 OUTLIER -113.69 116.22 51.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.1 -0.955 . . . . 74.42 109.925 -177.901 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 4.0 m -92.67 139.09 18.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.712 -0.676 . . . . 71.15 110.493 -177.637 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.316 -0.886 0 CA-C-N 115.452 -0.795 . . . . 73.13 110.566 -176.34 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 28.1 ptm . . . . . 0 C--O 1.233 0.218 0 CA-C-O 120.889 0.376 . . . . 72.42 110.69 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 42.1 t30 -97.72 86.01 3.7 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.885 -0.598 . . . . 61.35 109.862 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . 0.493 HG23 ' HB2' ' B' ' 6' ' ' LYS . 32.1 mm -67.43 112.29 2.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.055 -0.52 . . . . 72.42 111.319 177.728 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . 0.647 ' HG ' ' HD3' ' A' ' 87' ' ' PRO . 80.7 mt -76.99 -45.42 27.44 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.173 -0.921 . . . . 75.25 110.324 179.235 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' TYR . . . . . 0.417 ' HB3' ' CG2' ' A' ' 85' ' ' ILE . 2.6 t80 -132.12 125.48 31.42 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.616 -0.72 . . . . 75.45 109.57 -176.529 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . 0.493 ' HB2' HG23 ' B' ' 3' ' ' ILE . 34.0 ttmt -136.8 142.45 42.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.924 0.392 . . . . 65.01 110.771 176.226 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 8.5 t -144.85 140.65 28.52 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.587 -0.733 . . . . 73.02 109.372 177.112 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . 0.422 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . . . -107.26 135.23 49.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.882 0.373 . . . . 64.22 110.429 -178.658 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . 0.403 ' HA ' ' H ' ' B' ' 22' ' ' HIS . . . -123.19 148.08 46.17 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.98 -0.554 . . . . 71.2 109.757 178.544 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 9.3 t -124.49 129.76 51.23 Favored 'General case' 0 N--CA 1.44 -0.936 0 N-CA-C 107.894 -1.15 . . . . 64.31 107.894 -177.3 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 50.2 m -126.47 113.26 16.59 Favored 'General case' 0 C--N 1.311 -1.1 0 CA-C-N 115.815 -0.629 . . . . 74.14 110.134 -175.487 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 3.4 m -99.07 158.15 15.86 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.827 -0.624 . . . . 73.24 111.19 -175.093 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -85.51 76.58 2.17 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.883 -0.675 . . . . 71.12 111.616 175.42 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.48 -130.22 0.01 OUTLIER Glycine 0 C--N 1.337 0.584 0 C-N-CA 121.364 -0.446 . . . . 73.4 112.433 175.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 68.2 mtp85 -60.4 -54.3 47.21 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 117.333 0.567 . . . . 65.14 109.544 174.408 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' ASP . . . . . 0.519 ' HB3' ' HA ' ' B' ' 31' ' ' SER . 21.6 t0 -125.7 -42.94 1.89 Allowed 'General case' 0 C--O 1.237 0.426 0 CA-C-N 115.946 -0.57 . . . . 65.33 109.839 172.188 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -160.5 157.46 28.86 Favored Glycine 0 N--CA 1.446 -0.649 0 C-N-CA 120.013 -1.089 . . . . 74.22 112.855 171.595 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' ARG . . . . . 0.471 ' HA ' ' HA ' ' B' ' 29' ' ' LYS . 17.0 ttt85 -135.25 147.02 49.14 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 108.815 -0.809 . . . . 74.4 108.815 175.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -143.66 123.8 13.69 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.897 -0.409 . . . . 64.31 109.897 -177.553 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' THR . . . . . 0.404 HG22 ' O ' ' B' ' 26' ' ' LEU . 66.8 m -140.75 119.88 12.86 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.384 -0.371 . . . . 75.11 111.042 -178.283 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' SER . . . . . 0.481 ' HB2' ' HB3' ' B' ' 26' ' ' LEU . 11.0 t -71.08 107.03 3.94 Favored 'General case' 0 C--O 1.246 0.871 0 N-CA-C 105.417 -2.068 . . . . 74.21 105.417 171.794 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' HIS . . . . . 0.43 ' C ' ' H ' ' B' ' 24' ' ' GLN . 20.6 t-80 -61.57 -26.17 67.78 Favored 'General case' 0 CA--C 1.517 -0.293 0 O-C-N 125.529 1.768 . . . . 73.12 112.11 -161.001 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 34.7 p-10 -80.77 21.43 0.67 Allowed 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.41 0.624 . . . . 63.54 110.141 176.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . 0.43 ' H ' ' C ' ' B' ' 22' ' ' HIS . 36.3 mm-40 72.04 25.21 3.06 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 114.712 -1.131 . . . . 71.43 111.911 170.23 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 50.2 mtmt -90.27 -22.46 21.59 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.465 -0.334 . . . . 41.25 111.118 175.508 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . 0.481 ' HB3' ' HB2' ' B' ' 21' ' ' SER . 38.8 tp -148.95 143.67 26.32 Favored 'General case' 0 C--O 1.221 -0.43 0 C-N-CA 120.455 -0.498 . . . . 73.34 110.566 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -157.95 99.89 1.7 Allowed 'General case' 0 C--N 1.33 -0.27 0 O-C-N 123.59 0.556 . . . . 53.33 110.542 178.094 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 2.7 m -149.68 177.95 0.72 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.376 0 CA-C-O 121.374 0.606 . . . . 74.12 111.629 176.662 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.471 ' HA ' ' HA ' ' B' ' 18' ' ' ARG . 10.2 ttpt -133.25 146.65 51.62 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 114.932 -1.031 . . . . 74.12 109.204 176.249 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . 0.589 ' HB2' ' O ' ' B' ' 44' ' ' THR . 0.0 OUTLIER -129.59 163.66 25.53 Favored 'General case' 0 C--O 1.251 1.14 0 CA-C-O 121.023 0.439 . . . . 72.32 110.506 178.722 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' SER . . . . . 0.519 ' HA ' ' HB3' ' B' ' 16' ' ' ASP . 57.8 p -170.89 128.27 0.75 Allowed 'General case' 0 N--CA 1.448 -0.534 0 CA-C-N 115.547 -0.752 . . . . 62.35 111.365 -174.237 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -74.12 117.52 62.18 Favored Pre-proline 0 C--O 1.238 0.466 0 CA-C-N 116.221 -0.445 . . . . 75.13 110.007 173.562 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 33' ' ' PRO . . . . . . . . . . . . . 22.4 Cg_endo -60.74 149.18 89.09 Favored 'Trans proline' 0 C--N 1.348 0.518 0 C-N-CA 122.537 2.158 . . . . 72.21 111.688 179.367 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 16.2 mtm180 -75.06 67.83 1.79 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.129 0.49 . . . . 71.43 111.454 -178.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 68.7 mm-40 -100.05 -46.7 5.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.841 -0.618 . . . . 72.42 110.277 177.042 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 65.3 mt -115.52 5.35 14.41 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 115.917 -0.583 . . . . 63.52 111.09 -176.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 114.52 59.26 0.37 Allowed Glycine 0 N--CA 1.454 -0.133 0 N-CA-C 111.18 -0.768 . . . . 51.22 111.18 -172.452 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -100.21 -136.17 9.23 Favored Glycine 0 C--N 1.335 0.522 0 C-N-CA 121.159 -0.543 . . . . 64.12 112.077 -177.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -110.36 -49.56 3.05 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.898 0.38 . . . . 71.25 111.269 -176.001 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 120.23 79.25 0.57 Allowed Glycine 0 C--N 1.332 0.353 0 C-N-CA 121.092 -0.575 . . . . 53.13 112.02 -178.171 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -177.67 172.76 1.71 Allowed 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 122.756 0.422 . . . . 75.21 110.067 178.651 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -116.41 26.1 10.14 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.387 -0.37 . . . . 74.14 111.318 -177.493 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . 0.429 ' O ' ' HD3' ' A' ' 25' ' ' LYS . . . -68.92 -138.89 0.08 OUTLIER Glycine 0 CA--C 1.523 0.567 0 C-N-CA 121.373 -0.441 . . . . 72.12 112.82 179.46 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 44' ' ' THR . . . . . 0.589 ' O ' ' HB2' ' B' ' 30' ' ' LEU . 25.5 m -109.06 139.89 43.33 Favored 'General case' 0 C--N 1.331 -0.229 0 O-C-N 122.412 -0.463 . . . . 70.51 109.89 178.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 45' ' ' ASN . . . . . 0.502 ' HB2' ' HB3' ' B' ' 48' ' ' GLN . 1.5 m-20 -76.74 144.78 73.65 Favored Pre-proline 0 C--N 1.324 -0.52 0 N-CA-C 109.833 -0.432 . . . . 71.14 109.833 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 46' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_exo -57.91 -61.31 0.29 Allowed 'Trans proline' 0 C--N 1.352 0.762 0 C-N-CA 123.03 2.487 . . . . 54.41 113.46 -174.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.48 -30.74 71.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.31 0.576 . . . . 73.03 109.668 -177.394 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . 0.502 ' HB3' ' HB2' ' B' ' 45' ' ' ASN . 29.2 tt0 -63.33 -39.04 93.47 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.042 -0.981 . . . . 65.22 110.212 174.443 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 49' ' ' LEU . . . . . 0.461 HD21 HG21 ' B' ' 44' ' ' THR . 3.1 tm? -66.5 -48.93 68.25 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 115.935 -0.575 . . . . 73.15 109.501 179.471 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 42.0 t80 -57.72 -43.67 85.41 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 116.481 -0.327 . . . . 74.53 110.487 176.27 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.67 -53.13 61.19 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.358 -0.383 . . . . 63.22 111.108 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -57.95 -49.51 76.53 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-N 116.141 -0.481 . . . . 74.31 110.451 -179.518 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . 0.532 ' O ' ' SG ' ' B' ' 57' ' ' CYS . . . -59.88 -56.07 26.86 Favored Glycine 0 N--CA 1.447 -0.593 0 CA-C-N 115.277 -0.874 . . . . 73.22 112.1 179.704 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -54.43 -48.11 72.05 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 122.73 0.412 . . . . 73.43 111.025 -179.48 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 55' ' ' SER . . . . . 0.529 ' OG ' ' HB1' ' B' ' 81' ' ' ALA . 48.9 m -58.18 -50.11 74.68 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 110.268 -0.271 . . . . 71.55 110.268 -179.872 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 56' ' ' ALA . . . . . 0.508 ' HB1' HD22 ' A' ' 30' ' ' LEU . . . -58.77 -39.73 81.88 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-O 121.223 0.535 . . . . 72.32 110.569 176.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 57' ' ' CYS . . . . . 0.816 ' SG ' ' HB3' ' A' ' 46' ' ' PRO . 65.7 m -62.94 -36.23 82.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.356 -0.838 . . . . 72.4 109.976 178.482 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 30.5 t80 -61.89 -34.07 75.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.83 -0.623 . . . . 61.11 110.243 -177.511 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -67.05 -44.27 80.6 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.187 -0.46 . . . . 73.31 110.64 177.354 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 60' ' ' SER . . . . . 0.415 ' HB3' ' HB3' ' A' ' 32' ' ' ALA . 27.2 m -66.51 -40.92 89.47 Favored 'General case' 0 C--O 1.237 0.419 0 CA-C-O 121.272 0.558 . . . . 73.23 110.278 177.552 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . 0.434 ' O ' HG23 ' B' ' 65' ' ' VAL . . . -58.61 -45.74 88.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.662 -0.699 . . . . 44.1 109.778 177.468 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 62' ' ' MET . . . . . 0.528 ' HA ' ' HB ' ' B' ' 65' ' ' VAL . 30.1 mtp -72.84 -25.88 61.28 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.123 -0.49 . . . . 71.0 110.866 177.166 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 11.9 tppt? -59.77 -40.4 88.06 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 108.416 -0.957 . . . . 72.03 108.416 174.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 69.2 t80 -75.7 -48.46 21.86 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 115.192 -0.913 . . . . 73.11 111.183 174.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . 0.528 ' HB ' ' HA ' ' B' ' 62' ' ' MET . 41.0 t -54.68 -47.06 73.57 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.466 0 CA-C-O 120.934 0.397 . . . . 75.05 111.209 -177.166 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -58.0 -32.45 67.92 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.289 -0.414 . . . . 74.13 110.184 179.056 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -70.99 -25.41 75.83 Favored Glycine 0 C--N 1.332 0.336 0 CA-C-N 115.589 -0.732 . . . . 75.04 112.337 -178.534 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -98.81 -15.16 19.36 Favored 'General case' 0 C--N 1.332 -0.174 0 N-CA-C 109.624 -0.51 . . . . 64.5 109.624 178.607 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -94.89 -1.05 53.4 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 115.631 -0.713 . . . . 65.21 110.783 178.168 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 70' ' ' LYS . . . . . 0.44 ' HD3' ' N ' ' B' ' 70' ' ' LYS . 21.3 mmtm 65.18 22.44 12.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.507 -0.77 . . . . 73.12 110.85 174.883 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -114.57 165.13 13.1 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.926 -0.579 . . . . 74.24 110.256 -178.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 17.5 p -124.92 130.41 52.31 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.968 0.413 . . . . 74.12 110.577 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -109.38 142.93 26.72 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.009 -0.541 . . . . 75.15 110.754 178.179 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 74' ' ' PRO . . . . . 0.477 ' O ' HG23 ' B' ' 77' ' ' THR . 26.4 Cg_endo -61.38 150.75 83.56 Favored 'Trans proline' 0 C--N 1.348 0.522 0 C-N-CA 123.287 2.658 . . . . 74.32 112.293 177.789 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -77.2 -21.47 53.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.143 0.497 . . . . 71.53 110.421 174.529 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -80.97 5.29 16.76 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 115.543 -0.753 . . . . 60.22 111.553 -176.111 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 77' ' ' THR . . . . . 0.477 HG23 ' O ' ' B' ' 74' ' ' PRO . 10.3 t -79.39 142.23 36.16 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 120.864 0.364 . . . . 73.25 110.44 179.425 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 33.4 m -140.53 149.77 42.86 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.119 -0.491 . . . . 71.23 110.783 -176.155 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 77.6 t -126.93 125.68 67.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 N-CA-C 109.225 -0.658 . . . . 54.24 109.225 176.649 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 80' ' ' THR . . . . . 0.533 ' HA ' ' HA ' ' A' ' 10' ' ' THR . 22.3 m -110.83 115.27 29.23 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.327 -0.397 . . . . 75.2 110.594 -178.598 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 81' ' ' ALA . . . . . 0.529 ' HB1' ' OG ' ' B' ' 55' ' ' SER . . . -93.24 107.72 19.48 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.09 -0.505 . . . . 73.43 110.293 179.029 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -100.43 109.35 21.5 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.6 -0.518 . . . . 71.23 109.6 178.014 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 45.1 t -104.05 138.77 27.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 71.44 110.957 -173.338 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 84' ' ' GLY . . . . . 0.424 ' HA2' ' HA ' ' A' ' 6' ' ' LYS . . . -129.09 147.3 17.65 Favored Glycine 0 N--CA 1.44 -1.034 0 N-CA-C 111.075 -0.81 . . . . 52.45 111.075 173.706 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -124.66 129.75 73.6 Favored 'Isoleucine or valine' 0 C--O 1.244 0.789 0 N-CA-C 108.852 -0.795 . . . . 73.1 108.852 179.396 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 86' ' ' GLY . . . . . 0.455 ' HA2' ' HG ' ' A' ' 4' ' ' LEU . . . -148.56 169.9 29.09 Favored Glycine 0 N--CA 1.45 -0.406 0 N-CA-C 110.674 -0.97 . . . . 52.3 110.674 -178.318 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 87' ' ' PRO . . . . . 0.584 ' HD3' ' HG ' ' A' ' 4' ' ' LEU . 84.9 Cg_endo -81.66 152.52 17.36 Favored 'Trans proline' 0 N--CA 1.457 -0.635 0 C-N-CA 122.305 2.003 . . . . 70.05 111.253 -177.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 88' ' ' ASN . . . . . . . . . . . . . 37.0 p30 -114.79 161.73 17.8 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.721 -0.474 . . . . 72.3 109.721 175.696 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -69.38 -10.1 56.45 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.415 -0.357 . . . . 71.21 111.158 -178.063 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -69.25 -22.5 63.84 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.054 0.454 . . . . 74.05 110.096 172.121 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.16 2.79 45.06 Favored Glycine 0 C--N 1.33 0.222 0 CA-C-N 115.964 -0.562 . . . . 72.2 112.591 177.338 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . -113.01 -160.24 14.23 Favored Glycine 0 N--CA 1.452 -0.237 0 N-CA-C 111.56 -0.616 . . . . 70.13 111.56 178.202 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 93' ' ' PHE . . . . . . . . . . . . . 35.7 m-85 -97.83 158.09 15.71 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-O 121.056 0.455 . . . . 73.12 110.208 177.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -141.65 133.38 27.15 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.614 -0.721 . . . . 62.21 109.46 -177.11 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -99.75 134.99 41.84 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.88 -0.6 . . . . 74.21 110.478 -179.167 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 96' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -133.03 110.1 10.0 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 115.088 -0.96 . . . . 73.53 108.699 178.099 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 97' ' ' VAL . . . . . 0.731 HG12 HG23 ' B' ' 134' ' ' VAL . 0.9 OUTLIER -120.8 119.78 60.53 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-O 121.662 0.744 . . . . 65.34 111.358 -175.244 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -92.69 112.56 24.56 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 114.881 -1.054 . . . . 74.42 108.983 178.404 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 15.8 tp -93.84 108.23 20.04 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.185 -0.672 . . . . 75.14 109.185 -176.646 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 100' ' ' ARG . . . . . 0.558 ' HA ' ' O ' ' B' ' 137' ' ' VAL . 0.1 OUTLIER -99.13 111.09 23.57 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.532 -0.544 . . . . 70.24 109.532 -171.183 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 101' ' ' VAL . . . . . 0.427 HG12 HG23 ' B' ' 115' ' ' VAL . 74.1 t -100.95 114.6 40.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 60.12 111.197 -171.56 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -109.24 101.42 10.44 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 120.893 0.377 . . . . 53.32 110.661 177.288 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 103' ' ' LEU . . . . . 0.811 HD21 HD23 ' B' ' 106' ' ' LEU . 41.0 tp -111.26 115.64 52.09 Favored Pre-proline 0 C--N 1.329 -0.299 0 N-CA-C 108.249 -1.019 . . . . 72.24 108.249 174.411 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 104' ' ' PRO . . . . . 0.523 ' HD2' HD11 ' B' ' 103' ' ' LEU . 40.9 Cg_endo -70.6 142.6 44.63 Favored 'Trans proline' 0 N--CA 1.461 -0.407 0 C-N-CA 122.311 2.007 . . . . 74.24 112.835 -172.469 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 105' ' ' GLY . . . . . . . . . . . . . . . 79.68 -0.21 82.46 Favored Glycine 0 CA--C 1.519 0.339 0 CA-C-N 115.114 -0.948 . . . . 72.34 112.559 -177.47 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 106' ' ' LEU . . . . . 0.811 HD23 HD21 ' B' ' 103' ' ' LEU . 29.3 tp -103.03 136.77 42.23 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.288 0.566 . . . . 65.44 111.377 -176.335 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -77.86 153.72 32.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 114.987 -1.006 . . . . 63.12 110.608 176.542 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -68.51 -43.56 76.56 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.788 0.327 . . . . 74.55 111.088 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -57.54 -42.7 83.47 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 121.156 0.503 . . . . 64.51 110.7 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -74.67 -38.94 62.29 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 115.714 -0.676 . . . . 72.03 110.341 177.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 111' ' ' ALA . . . . . 0.441 ' HA ' HD21 ' B' ' 106' ' ' LEU . . . -56.55 -37.31 70.36 Favored 'General case' 0 CA--C 1.519 -0.222 0 CA-C-N 115.641 -0.709 . . . . 64.14 110.745 -179.884 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 112' ' ' LYS . . . . . . . . . . . . . 56.2 mmtt -50.97 -46.94 61.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.956 -0.566 . . . . 74.45 111.003 177.554 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 113' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -82.16 -36.27 27.55 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 116.423 -0.353 . . . . 72.03 111.172 -175.05 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 52.3 mt -66.83 -46.15 76.02 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 120.828 0.347 . . . . 72.05 110.332 -178.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 115' ' ' VAL . . . . . 0.427 HG23 HG12 ' B' ' 101' ' ' VAL . 86.9 t -64.16 -38.66 83.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.963 -0.562 . . . . 63.55 110.122 176.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -59.38 -53.65 55.7 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 116.414 -0.357 . . . . 75.43 110.779 -179.158 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 117' ' ' ARG . . . . . . . . . . . . . 7.2 ptm180 -67.98 -41.92 81.59 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 116.093 -0.503 . . . . 70.2 110.771 -176.656 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -62.29 -39.06 91.73 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 121.425 0.631 . . . . 61.11 109.966 177.562 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 119' ' ' HIS . . . . . 0.574 ' HD1' ' HD2' ' B' ' 129' ' ' ARG . 20.9 t-80 -83.99 6.85 20.4 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 115.38 -0.827 . . . . 74.31 110.619 179.423 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 15.3 t-80 -108.87 -37.78 5.77 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 116.254 -0.43 . . . . 73.32 111.087 177.49 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 34.8 m -85.11 -33.75 8.24 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.282 0 N-CA-C 112.047 0.388 . . . . 73.14 112.047 -176.304 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 122' ' ' CYS . . . . . . . . . . . . . 63.8 m -77.13 142.82 68.95 Favored Pre-proline 0 C--O 1.239 0.508 0 CA-C-N 116.707 -0.224 . . . . 74.53 111.567 -176.532 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 123' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_exo -58.51 165.94 6.97 Favored 'Trans proline' 0 C--N 1.356 0.928 0 C-N-CA 122.891 2.394 . . . . 65.25 111.479 174.472 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 124' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 70.36 -56.59 0.59 Allowed 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 123.249 0.62 . . . . 65.35 110.313 -174.127 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 125' ' ' SER . . . . . 0.44 ' O ' HG22 ' B' ' 128' ' ' THR . 49.5 m -46.98 -45.42 20.91 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 123.576 0.751 . . . . 64.23 112.827 -177.127 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 126' ' ' ASN . . . . . . . . . . . . . 37.7 m-80 -59.21 -52.05 67.35 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-O 121.339 0.59 . . . . 74.24 110.374 179.124 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 127' ' ' ALA . . . . . 0.673 ' O ' ' HB3' ' B' ' 131' ' ' ASN . . . -64.49 -23.39 67.26 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.114 -0.948 . . . . 74.33 111.915 -179.163 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 128' ' ' THR . . . . . 0.581 ' HA ' ' HB ' ' B' ' 132' ' ' VAL . 1.3 t -98.3 -4.82 34.27 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-O 121.375 0.607 . . . . 64.4 109.497 -167.23 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 129' ' ' ARG . . . . . 0.574 ' HD2' ' HD1' ' B' ' 119' ' ' HIS . 17.7 ptm180 -114.65 -55.07 2.52 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-N 115.715 -0.675 . . . . 75.21 110.126 -178.235 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 130' ' ' ASN . . . . . 0.411 ' N ' ' HG3' ' B' ' 129' ' ' ARG . 88.4 m-20 -79.36 -25.85 42.17 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.869 -0.605 . . . . 74.14 111.699 -177.786 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 131' ' ' ASN . . . . . 0.673 ' HB3' ' O ' ' B' ' 127' ' ' ALA . 2.2 t-20 -104.45 -41.79 5.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.249 -0.432 . . . . 75.43 110.632 -178.008 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 132' ' ' VAL . . . . . 0.581 ' HB ' ' HA ' ' B' ' 128' ' ' THR . 46.4 t -112.29 157.8 12.93 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.411 0 CA-C-N 115.838 -0.619 . . . . 62.31 110.486 -173.374 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 133' ' ' ALA . . . . . . . . . . . . . . . -87.83 81.61 7.53 Favored 'General case' 0 C--O 1.239 0.544 0 CA-C-O 121.753 0.787 . . . . 72.23 112.456 -176.378 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 134' ' ' VAL . . . . . 0.731 HG23 HG12 ' B' ' 97' ' ' VAL . 90.7 t -110.69 118.57 57.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 114.764 -1.107 . . . . 64.53 109.606 168.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 5.6 tmm_? -90.69 107.57 19.26 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.348 -0.612 . . . . 74.32 109.348 177.696 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 136' ' ' LEU . . . . . 0.443 HD12 ' CG ' ' B' ' 119' ' ' HIS . 38.6 mt -72.26 109.18 5.83 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.028 -0.533 . . . . 72.41 110.411 179.724 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 137' ' ' VAL . . . . . 0.558 ' O ' ' HA ' ' B' ' 100' ' ' ARG . 0.2 OUTLIER -116.02 114.63 46.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 115.319 -0.855 . . . . 74.23 109.879 -179.912 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 138' ' ' VAL . . . . . . . . . . . . . 4.2 m -89.31 138.52 19.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 115.582 -0.735 . . . . 70.52 109.518 -177.616 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 139' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.312 -1.059 0 CA-C-N 115.177 -0.919 . . . . 71.35 111.689 -174.165 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.5 ptt? . . . . . 0 N--CA 1.484 1.262 0 CA-C-O 120.495 0.188 . . . . 71.43 110.512 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.49 ' O ' ' HD2' ' B' ' 87' ' ' PRO . 38.5 t30 -73.29 79.46 1.33 Allowed 'General case' 0 CA--C 1.532 0.281 0 CA-C-O 121.254 0.55 . . . . 75.52 110.362 175.805 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.509 HG21 ' HB2' ' A' ' 6' ' ' LYS . 31.7 mm -74.61 137.9 22.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.629 -0.714 . . . . 51.02 111.523 176.152 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.628 ' HG ' ' HD3' ' B' ' 87' ' ' PRO . 83.4 mt -93.42 -44.9 8.04 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.716 -0.675 . . . . 74.21 109.94 173.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 33.2 t80 -136.65 131.06 33.13 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.003 -0.544 . . . . 73.42 109.819 -178.497 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.509 ' HB2' HG21 ' A' ' 3' ' ' ILE . 30.0 ttmt -138.66 138.73 38.06 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.878 0.37 . . . . 62.42 110.363 177.506 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.401 HG23 ' OE1' ' B' ' 48' ' ' GLN . 11.1 t -142.37 146.54 35.06 Favored 'General case' 0 C--O 1.237 0.444 0 N-CA-C 109.124 -0.695 . . . . 73.02 109.124 -179.592 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.501 ' HA ' ' HA ' ' B' ' 82' ' ' GLU . . . -117.01 154.36 31.06 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 121.012 0.434 . . . . 64.34 111.643 -174.82 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.546 ' HA ' ' HA ' ' A' ' 21' ' ' SER . . . -138.76 121.07 15.94 Favored 'General case' 0 C--O 1.226 -0.169 0 CA-C-N 116.048 -0.524 . . . . 73.03 110.693 177.097 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 7.7 t -98.97 115.83 29.81 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.241 0.543 . . . . 73.43 109.828 178.259 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.529 ' HA ' ' O ' ' A' ' 18' ' ' ARG . 17.7 p -107.37 116.97 32.87 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.042 -0.526 . . . . 74.42 111.135 179.171 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.57 ' HA ' HG23 ' B' ' 78' ' ' THR . 2.4 m -82.58 155.0 24.7 Favored 'General case' 0 C--O 1.238 0.485 0 CA-C-N 115.553 -0.749 . . . . 72.12 110.592 178.828 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -89.61 74.82 1.89 Allowed Glycine 0 CA--C 1.521 0.455 0 C-N-CA 121.147 -0.549 . . . . 62.44 112.974 179.549 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -73.47 -132.16 0.2 Allowed Glycine 0 CA--C 1.525 0.707 0 C-N-CA 121.102 -0.57 . . . . 62.02 112.171 173.099 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 9.8 mmt180 -60.9 -55.7 29.84 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 117.144 0.472 . . . . 73.04 110.508 176.676 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.539 ' HB3' ' HA ' ' A' ' 31' ' ' SER . 30.1 t0 -125.99 -42.42 1.89 Allowed 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.206 -0.452 . . . . 74.22 109.917 176.395 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -170.69 152.5 18.83 Favored Glycine 0 N--CA 1.446 -0.697 0 C-N-CA 120.456 -0.878 . . . . 73.12 111.786 171.682 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.529 ' O ' ' HA ' ' A' ' 11' ' ' SER . 3.3 tmt_? -135.2 101.32 4.81 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 108.49 -0.93 . . . . 73.24 108.49 178.195 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -102.38 123.79 46.79 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.907 0.384 . . . . 71.12 111.448 -170.064 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 45.6 m -128.56 111.99 13.83 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.178 -0.465 . . . . 65.23 110.002 176.626 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.546 ' HA ' ' HA ' ' A' ' 9' ' ' ALA . 43.4 t -67.23 107.77 2.48 Favored 'General case' 0 C--O 1.246 0.915 0 N-CA-C 107.858 -1.164 . . . . 62.3 107.858 175.689 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.484 ' H ' ' HA ' ' A' ' 9' ' ' ALA . 36.9 t-80 -48.76 -32.78 9.12 Favored 'General case' 0 C--N 1.348 0.538 0 O-C-N 126.205 2.19 . . . . 71.44 112.887 -167.846 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.405 ' HB2' ' HG2' ' A' ' 25' ' ' LYS . 2.1 m-20 -79.98 25.61 0.36 Allowed 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 120.993 0.425 . . . . 73.43 110.037 -175.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.479 ' H ' ' C ' ' A' ' 22' ' ' HIS . 26.6 mm-40 62.83 21.03 12.57 Favored 'General case' 0 CA--C 1.517 -0.298 0 CA-C-N 115.337 -0.847 . . . . 72.53 109.847 178.233 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.461 ' HB2' ' CB ' ' A' ' 21' ' ' SER . 32.2 mmtp -74.62 -42.23 58.98 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-N 115.227 -0.897 . . . . 73.44 109.057 178.055 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.438 ' N ' ' HB3' ' A' ' 21' ' ' SER . 39.8 tp -150.59 149.63 30.15 Favored 'General case' 0 C--O 1.221 -0.43 0 C-N-CA 120.009 -0.677 . . . . 74.42 111.872 -172.749 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -152.03 105.83 3.12 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-O 121.44 0.638 . . . . 74.5 109.317 172.353 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.42 HG21 HD11 ' A' ' 26' ' ' LEU . 3.1 m -151.09 178.02 0.58 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.524 0 CA-C-N 115.613 -0.721 . . . . 62.12 111.386 177.768 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.505 ' HA ' ' HA ' ' A' ' 18' ' ' ARG . 24.0 tttt -133.31 145.73 50.69 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.165 -0.925 . . . . 62.42 109.851 177.886 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.659 ' HB3' ' HB ' ' A' ' 44' ' ' THR . 0.0 OUTLIER -125.23 152.3 44.76 Favored 'General case' 0 C--O 1.247 0.931 0 CA-C-O 121.139 0.495 . . . . 73.21 109.979 174.316 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.539 ' HA ' ' HB3' ' A' ' 16' ' ' ASP . 73.1 m -168.04 101.58 0.46 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.051 -0.977 . . . . 75.34 109.607 -172.555 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.57 127.19 93.37 Favored Pre-proline 0 N--CA 1.447 -0.624 0 N-CA-C 109.622 -0.51 . . . . 52.21 109.622 178.192 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 5.5 Cg_endo -48.71 140.66 22.16 Favored 'Trans proline' 0 N--CA 1.461 -0.437 0 C-N-CA 122.363 2.042 . . . . 73.33 110.877 174.473 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.628 HH11 ' HA2' ' A' ' 37' ' ' GLY . 0.0 OUTLIER -43.39 -82.34 0.01 OUTLIER 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 123.461 0.705 . . . . 64.52 111.985 -175.516 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 46.39 -72.99 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.386 0 O-C-N 124.319 1.012 . . . . 75.14 113.569 179.559 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.556 ' N ' ' O ' ' A' ' 34' ' ' ARG . 7.1 mp -87.56 -47.85 8.39 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.859 0.838 . . . . 73.53 108.739 -177.335 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.628 ' HA2' HH11 ' A' ' 34' ' ' ARG . . . 166.84 39.12 0.02 OUTLIER Glycine 0 N--CA 1.44 -1.075 0 CA-C-N 114.183 -1.371 . . . . 72.22 110.606 -178.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -79.99 -134.84 1.29 Allowed Glycine 0 N--CA 1.444 -0.795 0 C-N-CA 120.313 -0.946 . . . . 73.44 112.424 -176.243 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -115.3 -8.74 12.28 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-O 120.833 0.349 . . . . 63.22 111.009 -175.653 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.406 ' HA2' ' H ' ' A' ' 34' ' ' ARG . . . 66.04 69.8 1.26 Allowed Glycine 0 C--N 1.331 0.294 0 CA-C-N 115.661 -0.699 . . . . 45.53 112.355 179.556 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -163.16 173.18 13.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.656 0.265 . . . . 51.12 110.357 -179.78 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -99.93 35.03 2.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.12 -0.491 . . . . 71.23 110.48 -179.005 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -82.06 -163.35 32.13 Favored Glycine 0 C--N 1.332 0.306 0 C-N-CA 121.19 -0.529 . . . . 55.55 112.079 -179.048 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.659 ' HB ' ' HB3' ' A' ' 30' ' ' LEU . 44.8 m -93.64 152.89 18.69 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.584 -0.525 . . . . 74.01 109.584 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -92.19 117.86 67.87 Favored Pre-proline 0 C--N 1.328 -0.368 0 N-CA-C 109.115 -0.698 . . . . 72.33 109.115 176.79 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_exo -43.31 -50.36 6.7 Favored 'Trans proline' 0 CA--C 1.536 0.606 0 C-N-CA 123.174 2.583 . . . . 63.04 113.154 178.64 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -59.09 -41.99 89.37 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-O 121.27 0.557 . . . . 62.13 110.55 -179.752 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -65.07 -37.82 88.8 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.657 -0.701 . . . . 74.41 110.026 178.706 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.474 HD12 ' HA3' ' B' ' 53' ' ' GLY . 2.7 tm? -62.74 -45.5 92.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.8 -0.636 . . . . 71.11 109.605 -179.793 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 63.8 t80 -64.45 -43.25 94.85 Favored 'General case' 0 C--O 1.224 -0.252 0 CA-C-N 115.994 -0.548 . . . . 65.21 110.67 177.281 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.547 ' HB2' HG11 ' A' ' 83' ' ' VAL . . . -57.17 -52.99 63.1 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.23 -0.441 . . . . 52.03 111.324 177.743 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.424 ' HB1' ' HB3' ' B' ' 19' ' ' ALA . . . -63.36 -42.91 98.9 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.084 -0.507 . . . . 73.32 110.405 -178.76 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.425 ' HA3' HD13 ' B' ' 49' ' ' LEU . . . -63.72 -44.41 96.37 Favored Glycine 0 C--O 1.224 -0.531 0 CA-C-N 115.609 -0.723 . . . . 45.35 112.402 178.891 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -65.06 -40.86 95.3 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 110.158 -0.312 . . . . 74.55 110.158 -179.641 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.414 ' OG ' ' HB3' ' A' ' 81' ' ' ALA . 49.7 m -62.71 -49.0 76.8 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.447 -0.342 . . . . 73.1 110.124 178.063 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.489 ' HB1' HD23 ' B' ' 30' ' ' LEU . . . -59.54 -47.56 85.05 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-O 121.095 0.474 . . . . 72.41 110.41 177.804 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.406 ' SG ' ' O ' ' A' ' 53' ' ' GLY . 81.3 m -55.73 -36.27 67.06 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.456 -0.793 . . . . 74.4 110.628 175.758 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 10.9 t80 -60.59 -40.66 92.58 Favored 'General case' 0 CA--C 1.53 0.186 0 N-CA-C 109.744 -0.465 . . . . 74.24 109.744 -179.196 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.426 ' O ' ' HG3' ' A' ' 63' ' ' LYS . 4.0 mm? -68.29 -51.69 42.0 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.039 -0.528 . . . . 74.12 110.645 177.3 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 37.7 m -56.34 -42.07 77.1 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-O 120.856 0.36 . . . . 74.4 110.969 -179.29 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.19 -44.15 80.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 64.15 110.195 178.478 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' MET . . . . . 0.605 ' HE3' ' HA ' ' A' ' 62' ' ' MET . 4.3 tpt -59.82 -32.07 70.31 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 115.592 -0.731 . . . . 61.32 110.093 177.642 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.426 ' HG3' ' O ' ' A' ' 59' ' ' LEU . 98.7 mttt -70.79 -48.99 51.29 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 116.26 -0.427 . . . . 62.32 110.49 177.344 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 71.0 t80 -55.37 -41.55 72.75 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 121.248 0.547 . . . . 70.35 109.947 177.318 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 49.2 t -62.83 -47.42 92.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.577 -0.738 . . . . 51.41 110.382 175.188 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -56.19 -34.56 66.36 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.979 -0.555 . . . . 55.45 110.753 -179.658 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -68.64 -31.56 73.59 Favored Glycine 0 N--CA 1.453 -0.182 0 CA-C-N 115.3 -0.864 . . . . 65.01 112.347 -176.257 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -96.69 -15.76 21.28 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.525 -0.546 . . . . 73.33 109.525 -178.55 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 13.7 m-80 -94.17 -1.11 54.69 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.525 -0.762 . . . . 73.35 110.726 176.719 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 20.9 mmtm 62.34 24.55 14.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.467 -0.788 . . . . 70.5 110.81 172.654 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -109.97 168.22 9.58 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.628 -0.714 . . . . 65.11 109.675 177.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 29.7 p -123.51 142.33 51.12 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.983 0.42 . . . . 71.13 110.841 -178.16 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.602 HD13 ' HG3' ' A' ' 62' ' ' MET . 96.2 mt -109.31 138.16 20.42 Favored Pre-proline 0 C--N 1.324 -0.513 0 CA-C-N 115.806 -0.634 . . . . 64.52 110.31 178.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.444 ' O ' HG23 ' A' ' 77' ' ' THR . 30.6 Cg_endo -64.88 139.07 60.57 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.611 2.207 . . . . 75.32 111.44 175.112 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -76.89 -10.15 59.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.206 0.527 . . . . 74.43 111.219 -179.134 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -89.89 5.23 47.23 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.596 -0.729 . . . . 72.44 111.442 -176.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.444 HG23 ' O ' ' A' ' 74' ' ' PRO . 9.7 t -78.64 146.51 34.05 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.2 -0.454 . . . . 74.0 111.265 -177.439 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 75.6 m -148.13 149.68 32.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.282 0.563 . . . . 72.13 110.554 -179.037 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 56.4 t -125.03 121.56 61.25 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-N 115.298 -0.865 . . . . 73.54 108.896 178.22 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 10.0 m -98.21 115.36 28.18 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.457 -0.338 . . . . 61.0 110.333 -179.042 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.467 ' HB1' ' HB3' ' A' ' 51' ' ' ALA . . . -96.03 104.63 16.59 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.87 -0.604 . . . . 75.0 110.622 179.43 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -98.28 110.09 22.74 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.337 -0.616 . . . . 75.53 109.337 176.117 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.547 HG11 ' HB2' ' A' ' 51' ' ' ALA . 16.7 m -114.2 135.59 53.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 121.391 0.615 . . . . 74.25 111.432 -178.126 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -136.36 162.66 25.12 Favored Glycine 0 N--CA 1.442 -0.944 0 CA-C-N 115.227 -0.897 . . . . 64.22 111.322 177.596 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -138.57 131.93 40.19 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 N-CA-C 109.257 -0.646 . . . . 71.32 109.257 -177.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -149.39 169.77 29.67 Favored Glycine 0 CA--C 1.517 0.181 0 O-C-N 124.143 0.902 . . . . 64.2 111.355 -179.63 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . 0.706 ' HD3' ' HG ' ' B' ' 4' ' ' LEU . 4.7 Cg_exo -72.69 125.07 10.24 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.789 2.326 . . . . 75.13 111.719 -177.59 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . 0.503 ' HB2' ' HB3' ' A' ' 94' ' ' ALA . 25.2 t-20 -73.57 158.6 34.53 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.336 -0.616 . . . . 63.43 109.336 176.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -61.12 -23.95 65.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.787 0.327 . . . . 74.31 111.063 -177.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -69.65 -21.83 63.5 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-O 121.426 0.631 . . . . 62.35 110.587 177.001 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.31 6.61 41.63 Favored Glycine 0 N--CA 1.452 -0.282 0 CA-C-N 115.521 -0.763 . . . . 52.42 111.786 -176.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -97.12 -150.04 26.24 Favored Glycine 0 N--CA 1.45 -0.401 0 N-CA-C 110.854 -0.898 . . . . 74.12 110.854 177.535 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 32.9 m-85 -112.22 150.71 30.51 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 117.0 0.4 . . . . 72.25 110.023 175.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.503 ' HB3' ' HB2' ' A' ' 88' ' ' ASN . . . -139.31 136.65 35.07 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.811 -0.631 . . . . 73.43 109.821 -179.07 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -99.73 127.3 45.87 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.963 -0.562 . . . . 75.45 111.006 -177.53 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -110.01 110.89 21.95 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.122 -0.944 . . . . 62.1 108.793 177.538 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.53 HG21 HG13 ' A' ' 83' ' ' VAL . 49.0 t -119.73 110.82 30.42 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.86 0 CA-C-N 116.017 -0.538 . . . . 41.42 110.813 -175.005 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -101.47 113.37 26.41 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.136 -0.691 . . . . 52.25 109.136 175.625 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 13.6 tp -105.46 108.3 19.75 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.556 -0.535 . . . . 73.33 109.556 -174.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.533 ' HA ' ' O ' ' A' ' 137' ' ' VAL . 41.7 ttt180 -99.15 112.5 24.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.46 . . . . 73.43 109.84 -176.148 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 48.6 t -100.67 99.54 8.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.582 -0.281 . . . . 72.23 110.407 -172.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -93.14 101.58 13.88 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-O 120.968 0.414 . . . . 73.1 110.344 179.608 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.931 HD21 HD23 ' A' ' 106' ' ' LEU . 30.5 tp -114.7 111.59 45.88 Favored Pre-proline 0 C--N 1.326 -0.447 0 N-CA-C 108.304 -0.999 . . . . 73.31 108.304 176.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . 0.52 ' HD2' HD13 ' A' ' 103' ' ' LEU . 60.4 Cg_endo -73.12 148.5 44.59 Favored 'Trans proline' 0 N--CA 1.462 -0.358 0 C-N-CA 122.718 2.278 . . . . 73.52 112.868 -171.789 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 72.33 15.27 77.02 Favored Glycine 0 CA--C 1.519 0.333 0 CA-C-N 115.545 -0.752 . . . . 54.45 112.503 -178.194 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.931 HD23 HD21 ' A' ' 103' ' ' LEU . 22.7 tp -115.77 143.68 45.05 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 122.579 0.352 . . . . 65.03 110.759 -175.869 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . 0.413 ' O ' ' HB1' ' A' ' 111' ' ' ALA . 1.5 t70 -75.9 163.41 27.23 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 116.132 -0.485 . . . . 72.42 110.808 178.864 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -68.62 -44.57 73.97 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.309 -0.859 . . . . 74.35 109.833 171.179 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -62.43 -48.92 77.56 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 115.316 -0.856 . . . . 64.13 110.369 -177.062 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . 0.513 ' O ' ' HG ' ' A' ' 114' ' ' LEU . . . -68.64 -41.42 79.44 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.94 -0.573 . . . . 73.25 110.035 179.663 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . 0.53 ' HA ' HD21 ' A' ' 106' ' ' LEU . . . -54.46 -44.94 73.0 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.175 -0.466 . . . . 54.13 111.503 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 59.0 mmtt -51.62 -47.84 63.52 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.251 -0.431 . . . . 74.23 110.975 177.568 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' THR . . . . . 0.492 HG21 ' O ' ' A' ' 110' ' ' ALA . 1.2 t -76.65 -34.96 58.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.471 -0.331 . . . . 74.22 111.27 -174.127 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.513 ' HG ' ' O ' ' A' ' 110' ' ' ALA . 42.0 mt -64.56 -51.8 60.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.782 0.325 . . . . 61.01 110.351 -179.113 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 59.2 t -63.5 -34.62 68.58 Favored 'Isoleucine or valine' 0 C--O 1.24 0.602 0 CA-C-O 121.376 0.608 . . . . 72.22 109.626 178.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . 0.651 ' HA ' ' CD2' ' A' ' 119' ' ' HIS . 24.2 t70 -64.45 -58.72 5.65 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-N 115.636 -0.711 . . . . 65.51 110.694 -179.38 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . 0.424 ' O ' HG22 ' A' ' 121' ' ' VAL . 10.4 ptm180 -60.33 -32.76 71.55 Favored 'General case' 0 N--CA 1.455 -0.188 0 CA-C-N 116.186 -0.461 . . . . 65.24 109.957 -178.69 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -59.17 -56.3 23.99 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-N 115.577 -0.738 . . . . 63.41 110.966 177.13 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . 0.651 ' CD2' ' HA ' ' A' ' 116' ' ' ASP . 16.7 p80 -72.29 -13.58 61.54 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 120.83 0.348 . . . . 74.13 110.565 179.732 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 11.8 t60 -76.23 -51.54 11.87 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.755 -0.657 . . . . 75.14 110.342 -178.546 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . 0.424 HG22 ' O ' ' A' ' 117' ' ' ARG . 25.8 m -100.21 -18.4 6.35 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.325 0 N-CA-C 112.236 0.458 . . . . 74.54 112.236 -174.568 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 47.3 t -121.82 82.71 42.47 Favored Pre-proline 0 N--CA 1.465 0.317 0 CA-C-O 121.023 0.44 . . . . 72.12 110.902 -178.475 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_endo -99.68 134.74 0.23 Allowed 'Trans proline' 0 N--CA 1.453 -0.872 0 C-N-CA 123.198 2.599 . . . . 75.04 112.525 175.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -65.98 -20.72 66.29 Favored 'General case' 0 N--CA 1.468 0.471 0 N-CA-C 108.463 -0.94 . . . . 65.44 108.463 170.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' SER . . . . . 0.586 ' O ' HG21 ' A' ' 128' ' ' THR . 29.8 t -176.59 145.67 0.56 Allowed 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 113.647 -1.615 . . . . 65.33 106.894 174.689 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' ASN . . . . . 0.636 ' HB3' HD22 ' B' ' 131' ' ' ASN . 49.0 t30 -59.69 -31.4 69.54 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.801 0.81 . . . . 73.42 109.021 176.849 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . 0.65 ' HB1' ' HB3' ' B' ' 127' ' ' ALA . . . -84.44 5.2 28.21 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 114.716 -1.129 . . . . 54.1 112.322 -176.897 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' THR . . . . . 0.586 HG21 ' O ' ' A' ' 125' ' ' SER . 2.2 t -94.89 -7.31 40.47 Favored 'General case' 0 N--CA 1.467 0.397 0 N-CA-C 109.299 -0.63 . . . . 73.21 109.299 -178.763 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 35.5 ptt180 -121.65 -52.78 2.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.029 -0.987 . . . . 72.04 110.54 -175.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 88.9 m-20 -78.83 -34.23 45.4 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.748 -0.66 . . . . 71.52 111.697 -177.102 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . 0.547 ' HB3' ' O ' ' A' ' 127' ' ' ALA . 23.1 t-20 -88.23 -42.78 12.06 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 120.882 0.372 . . . . 72.12 110.483 -178.494 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 59.5 t -88.5 127.85 41.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.101 -0.5 . . . . 70.22 110.019 179.327 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -73.57 85.6 1.57 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.617 0.723 . . . . 45.42 111.113 -177.612 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . 0.526 ' HA ' ' O ' ' A' ' 97' ' ' VAL . 42.3 t -102.14 118.44 48.98 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.634 0 CA-C-N 115.052 -0.976 . . . . 75.02 110.561 176.343 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 19.2 mtm180 -90.13 108.61 19.84 Favored 'General case' 0 C--O 1.234 0.264 0 N-CA-C 109.352 -0.61 . . . . 74.34 109.352 175.259 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . 0.403 HD22 ' HA ' ' A' ' 136' ' ' LEU . 72.1 mt -82.18 108.84 15.96 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.362 0.601 . . . . 50.04 111.004 -179.504 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . 0.533 ' O ' ' HA ' ' A' ' 100' ' ' ARG . 0.2 OUTLIER -116.38 116.73 53.18 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-N 115.037 -0.983 . . . . 74.42 109.637 -179.378 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 4.0 m -89.96 138.99 18.25 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-O 121.251 0.548 . . . . 71.15 110.299 -177.556 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.315 -0.921 0 CA-C-N 115.558 -0.746 . . . . 73.13 110.763 -175.978 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 17.2 ptt? . . . . . 0 C--O 1.233 0.195 0 CA-C-O 120.74 0.305 . . . . 72.42 110.625 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 43.6 t30 -78.2 74.0 4.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.268 0.556 . . . . 61.35 110.806 179.276 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . 0.516 HG22 ' HB2' ' B' ' 6' ' ' LYS . 33.1 mm -67.08 127.54 28.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 115.703 -0.681 . . . . 72.42 111.236 174.747 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . 0.706 ' HG ' ' HD3' ' A' ' 87' ' ' PRO . 87.5 mt -84.78 -45.33 12.47 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.565 -0.743 . . . . 75.25 109.98 175.392 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' TYR . . . . . . . . . . . . . 25.5 t80 -138.81 131.31 28.77 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.201 -0.454 . . . . 75.45 110.322 -178.16 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . 0.516 ' HB2' HG22 ' B' ' 3' ' ' ILE . 30.6 ttmt -139.51 141.14 37.33 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-O 121.27 0.557 . . . . 65.01 111.846 177.297 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 7.8 t -142.48 145.47 33.74 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-N 115.251 -0.886 . . . . 73.02 108.964 178.194 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -118.5 148.49 42.55 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-O 120.766 0.317 . . . . 64.22 111.079 -176.299 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . 0.555 ' HA ' ' H ' ' B' ' 22' ' ' HIS . . . -137.16 136.05 37.88 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.22 -0.445 . . . . 71.2 110.338 -179.37 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' THR . . . . . 0.473 HG23 ' HB ' ' B' ' 20' ' ' THR . 7.8 t -98.79 127.2 44.64 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.639 -0.504 . . . . 64.31 109.639 177.532 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 42.1 t -122.77 113.01 18.6 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.429 -0.351 . . . . 74.14 110.372 -177.704 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 17.3 m -100.94 161.46 13.58 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 110.171 -0.307 . . . . 73.24 110.171 -179.237 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -99.22 49.52 1.22 Allowed Glycine 0 N--CA 1.45 -0.373 0 N-CA-C 111.448 -0.661 . . . . 71.12 111.448 176.627 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -40.98 -99.09 0.01 OUTLIER Glycine 0 C--N 1.344 1.008 0 O-C-N 124.329 0.664 . . . . 73.4 114.49 -172.521 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 22.7 mmm180 -84.94 -55.06 4.26 Favored 'General case' 0 N--CA 1.465 0.283 0 O-C-N 122.266 -0.549 . . . . 65.14 109.797 177.449 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 16' ' ' ASP . . . . . 0.42 ' HB3' ' HA ' ' B' ' 31' ' ' SER . 9.8 t70 -122.8 -43.43 2.25 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 108.611 -0.885 . . . . 65.33 108.611 171.218 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 17' ' ' GLY . . . . . 0.509 ' O ' ' HG3' ' B' ' 29' ' ' LYS . . . -164.01 165.02 36.86 Favored Glycine 0 N--CA 1.446 -0.635 0 N-CA-C 111.24 -0.744 . . . . 74.22 111.24 166.819 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 18' ' ' ARG . . . . . 0.578 ' HA ' ' HA ' ' B' ' 29' ' ' LYS . 24.7 ttm180 -147.86 143.33 27.36 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 109.716 -0.476 . . . . 74.4 109.716 179.386 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 19' ' ' ALA . . . . . 0.424 ' HB3' ' HB1' ' A' ' 52' ' ' ALA . . . -134.02 123.71 25.01 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.666 -0.494 . . . . 64.31 109.666 -179.861 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 20' ' ' THR . . . . . 0.473 ' HB ' HG23 ' B' ' 10' ' ' THR . 33.4 m -133.67 115.31 14.47 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.28 -0.418 . . . . 75.11 110.515 -177.257 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 21' ' ' SER . . . . . 0.476 ' HB3' ' N ' ' B' ' 26' ' ' LEU . 32.2 t -72.62 107.15 4.96 Favored 'General case' 0 C--O 1.244 0.809 0 N-CA-C 106.976 -1.49 . . . . 74.21 106.976 174.743 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 22' ' ' HIS . . . . . 0.555 ' H ' ' HA ' ' B' ' 9' ' ' ALA . 0.0 OUTLIER -55.41 -20.43 12.2 Favored 'General case' 0 N--CA 1.469 0.492 0 O-C-N 125.345 1.653 . . . . 73.12 112.249 -165.933 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . 0.518 ' HB2' ' HE2' ' B' ' 25' ' ' LYS . 3.4 m-20 -80.32 18.63 0.86 Allowed 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.583 -0.525 . . . . 63.54 109.583 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . 0.453 ' H ' ' C ' ' B' ' 22' ' ' HIS . 27.1 mm-40 64.16 20.39 12.16 Favored 'General case' 0 C--N 1.342 0.26 0 CA-C-N 115.386 -0.824 . . . . 71.43 110.131 -179.426 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.518 ' HE2' ' HB2' ' B' ' 23' ' ' ASP . 51.2 mtmt -84.65 -24.79 28.89 Favored 'General case' 0 N--CA 1.455 -0.202 0 CA-C-N 115.458 -0.792 . . . . 41.25 110.835 179.566 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . 0.476 ' N ' ' HB3' ' B' ' 21' ' ' SER . 53.2 tp -151.31 145.39 25.29 Favored 'General case' 0 C--O 1.222 -0.382 0 C-N-CA 120.604 -0.438 . . . . 73.34 110.986 178.732 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -158.09 95.3 1.37 Allowed 'General case' 0 C--O 1.235 0.319 0 O-C-N 123.645 0.591 . . . . 53.33 109.588 174.193 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 5.2 m -142.31 175.78 4.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 121.323 0.582 . . . . 74.12 111.383 178.739 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.735 ' HB3' ' HZ3' ' B' ' 29' ' ' LYS . 3.0 ttpm? -127.82 141.03 51.68 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.17 -0.923 . . . . 74.12 109.884 -178.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . 0.645 ' HA ' ' H ' ' B' ' 44' ' ' THR . 0.0 OUTLIER -123.64 166.11 16.05 Favored 'General case' 0 C--O 1.252 1.222 0 CA-C-N 116.28 -0.418 . . . . 72.32 110.023 178.078 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 31' ' ' SER . . . . . 0.46 ' OG ' ' HB3' ' B' ' 41' ' ' ALA . 24.4 m -154.26 131.32 11.0 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.778 -0.646 . . . . 62.35 111.06 -174.339 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -66.32 134.1 94.59 Favored Pre-proline 0 C--O 1.236 0.355 0 N-CA-C 109.518 -0.549 . . . . 75.13 109.518 173.39 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 33' ' ' PRO . . . . . 0.448 ' HG2' HD13 ' B' ' 36' ' ' LEU . 11.9 Cg_endo -55.85 118.93 5.78 Favored 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 122.363 2.042 . . . . 72.21 111.811 -176.828 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 34' ' ' ARG . . . . . 0.463 ' HG2' ' CA ' ' B' ' 40' ' ' GLY . 0.1 OUTLIER -52.94 -24.54 9.54 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 115.962 -0.563 . . . . 71.43 110.263 -179.903 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -45.49 -39.79 7.69 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 115.046 -0.979 . . . . 72.42 111.755 178.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . 0.608 HD12 HD12 ' B' ' 85' ' ' ILE . 24.0 mt -98.84 17.13 20.21 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.331 -0.849 . . . . 63.52 111.035 -170.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 78.87 43.98 10.67 Favored Glycine 0 N--CA 1.449 -0.436 0 CA-C-N 115.769 -0.651 . . . . 51.22 112.099 -179.616 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -91.41 -135.67 6.68 Favored Glycine 0 N--CA 1.446 -0.664 0 C-N-CA 120.719 -0.753 . . . . 64.12 111.382 179.191 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -105.47 -51.75 2.95 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.779 0.323 . . . . 71.25 110.662 -178.278 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 40' ' ' GLY . . . . . 0.463 ' CA ' ' HG2' ' B' ' 34' ' ' ARG . . . 97.47 102.59 2.16 Favored Glycine 0 C--N 1.331 0.29 0 C-N-CA 121.29 -0.481 . . . . 53.13 112.575 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . 0.46 ' HB3' ' OG ' ' B' ' 31' ' ' SER . . . -160.28 165.63 31.0 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 110.222 -0.288 . . . . 75.21 110.222 175.809 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -80.04 74.47 6.82 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-O 121.779 0.8 . . . . 74.14 110.761 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -134.57 -173.48 13.14 Favored Glycine 0 N--CA 1.45 -0.424 0 CA-C-N 114.894 -1.048 . . . . 72.12 111.892 176.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 44' ' ' THR . . . . . 0.645 ' H ' ' HA ' ' B' ' 30' ' ' LEU . 24.8 m -101.1 150.77 22.58 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 110.329 -0.249 . . . . 70.51 110.329 -179.219 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 15.9 m120 -59.52 116.48 16.66 Favored Pre-proline 0 CA--C 1.53 0.206 0 O-C-N 123.278 0.361 . . . . 71.14 110.348 175.708 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 46' ' ' PRO . . . . . . . . . . . . . 8.6 Cg_endo -52.11 -39.43 70.69 Favored 'Trans proline' 0 C--O 1.241 0.668 0 C-N-CA 122.484 2.122 . . . . 54.41 111.528 174.019 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -55.88 -49.12 74.25 Favored 'General case' 0 C--O 1.238 0.459 0 N-CA-C 108.633 -0.877 . . . . 73.03 108.633 175.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . 0.496 ' NE2' ' HB3' ' A' ' 9' ' ' ALA . 18.4 tp60 -67.48 -31.18 71.15 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 114.308 -1.315 . . . . 65.22 110.867 -179.197 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 49' ' ' LEU . . . . . 0.425 HD13 ' HA3' ' A' ' 53' ' ' GLY . 2.7 tm? -62.84 -51.23 67.81 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.143 -0.688 . . . . 73.15 109.143 -179.204 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 50.7 t80 -61.88 -44.1 97.51 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.157 -0.474 . . . . 74.53 110.513 175.439 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -53.18 -52.03 60.13 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 116.216 -0.447 . . . . 63.22 111.569 178.519 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -66.29 -46.03 78.38 Favored 'General case' 0 C--O 1.238 0.479 0 CA-C-O 121.193 0.521 . . . . 74.31 110.823 -177.145 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . 0.474 ' HA3' HD12 ' A' ' 49' ' ' LEU . . . -61.45 -35.48 91.1 Favored Glycine 0 N--CA 1.449 -0.485 0 CA-C-N 115.678 -0.692 . . . . 73.22 111.803 178.118 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 54' ' ' TYR . . . . . 0.816 ' HA ' ' SG ' ' B' ' 57' ' ' CYS . 2.9 t80 -75.13 -43.34 53.16 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 122.213 0.205 . . . . 73.43 110.702 -179.004 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 55' ' ' SER . . . . . 0.623 ' HB3' ' HB1' ' B' ' 81' ' ' ALA . 58.0 p -62.93 -39.58 95.02 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.869 -0.419 . . . . 71.55 109.869 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 56' ' ' ALA . . . . . 0.495 ' HB3' HD22 ' A' ' 30' ' ' LEU . . . -70.18 -49.26 52.17 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 115.813 -0.631 . . . . 72.32 111.006 177.221 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 57' ' ' CYS . . . . . 0.816 ' SG ' ' HA ' ' B' ' 54' ' ' TYR . 18.9 p -60.28 -36.19 77.27 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 120.897 0.38 . . . . 72.4 110.237 -179.596 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 58' ' ' PHE . . . . . 0.405 ' N ' ' HG ' ' B' ' 57' ' ' CYS . 52.1 t80 -54.96 -32.84 61.85 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 115.924 -0.58 . . . . 61.11 110.217 -179.159 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -68.08 -44.42 76.29 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.301 -0.629 . . . . 73.31 109.301 177.579 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 60' ' ' SER . . . . . 0.45 ' HA ' ' HE2' ' B' ' 63' ' ' LYS . 3.8 m -62.0 -46.23 90.12 Favored 'General case' 0 C--O 1.242 0.672 0 CA-C-O 121.728 0.775 . . . . 73.23 110.139 177.36 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . 0.488 ' HB3' ' SG ' ' B' ' 122' ' ' CYS . . . -57.91 -48.26 80.4 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 115.12 -0.945 . . . . 44.1 110.145 178.659 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 62' ' ' MET . . . . . 0.53 ' HA ' ' HB ' ' B' ' 65' ' ' VAL . 18.8 mtp -69.08 -26.79 65.12 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.388 -0.369 . . . . 71.0 110.972 178.615 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . 0.45 ' HE2' ' HA ' ' B' ' 60' ' ' SER . 16.3 ttmm -60.36 -45.94 91.71 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 108.754 -0.832 . . . . 72.03 108.754 175.658 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 48.9 t80 -71.28 -46.37 61.01 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 115.303 -0.862 . . . . 73.11 110.895 176.158 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . 0.53 ' HB ' ' HA ' ' B' ' 62' ' ' MET . 41.1 t -57.51 -45.34 85.93 Favored 'Isoleucine or valine' 0 C--O 1.236 0.383 0 CA-C-N 115.836 -0.62 . . . . 75.05 111.42 -176.829 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -56.05 -33.44 64.99 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.105 0.479 . . . . 74.13 110.508 179.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -70.59 -32.27 67.6 Favored Glycine 0 N--CA 1.452 -0.258 0 CA-C-N 115.429 -0.805 . . . . 75.04 112.453 -177.16 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 12.8 pt20 -95.47 -13.95 24.13 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.122 0.487 . . . . 64.5 109.704 -178.151 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 69' ' ' ASN . . . . . 0.462 ' ND2' HG12 ' B' ' 65' ' ' VAL . 17.6 m-80 -97.94 5.24 49.13 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.545 -0.752 . . . . 65.21 111.69 178.815 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 64.58 26.23 13.25 Favored 'General case' 0 N--CA 1.47 0.525 0 CA-C-N 115.862 -0.608 . . . . 73.12 111.521 172.769 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -122.08 166.7 14.11 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.003 -0.544 . . . . 74.24 110.441 -178.762 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 28.1 p -125.97 139.48 53.41 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.011 -0.54 . . . . 74.12 110.135 -179.635 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . 0.41 HD12 ' HE1' ' B' ' 62' ' ' MET . 94.4 mt -109.7 137.9 20.51 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.4 -0.363 . . . . 75.15 110.892 179.688 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 74' ' ' PRO . . . . . 0.671 ' HD2' HD13 ' B' ' 103' ' ' LEU . 22.8 Cg_exo -66.79 142.75 64.52 Favored 'Trans proline' 0 C--N 1.349 0.605 0 C-N-CA 122.767 2.311 . . . . 74.32 111.973 172.566 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -74.67 -24.33 58.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.429 0.633 . . . . 71.53 111.706 -178.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -80.8 23.98 0.51 Allowed 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.33 -0.85 . . . . 60.22 111.692 -171.477 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 77' ' ' THR . . . . . 0.506 ' HB ' HD12 ' B' ' 103' ' ' LEU . 9.7 t -89.58 173.12 8.49 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 112.669 0.618 . . . . 73.25 112.669 -174.673 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 78' ' ' THR . . . . . 0.57 HG23 ' HA ' ' A' ' 12' ' ' THR . 0.9 OUTLIER -153.48 149.34 27.61 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 114.939 -1.028 . . . . 71.23 109.855 179.891 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 78.3 t -135.83 124.49 38.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 N-CA-C 109.559 -0.534 . . . . 54.24 109.559 177.234 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 80' ' ' THR . . . . . 0.512 ' HB ' ' HB3' ' B' ' 100' ' ' ARG . 27.3 m -111.03 113.85 26.7 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 120.801 0.334 . . . . 75.2 111.239 -176.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 81' ' ' ALA . . . . . 0.623 ' HB1' ' HB3' ' B' ' 55' ' ' SER . . . -93.23 108.61 20.2 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.821 0.343 . . . . 73.43 110.176 177.06 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 82' ' ' GLU . . . . . 0.501 ' HA ' ' HA ' ' A' ' 8' ' ' ALA . 44.4 tt0 -106.92 107.57 18.65 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.182 -0.673 . . . . 71.23 109.182 179.715 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . 0.466 HG12 HG11 ' B' ' 97' ' ' VAL . 21.4 m -110.96 145.28 17.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 120.993 0.425 . . . . 71.44 111.273 -174.73 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 84' ' ' GLY . . . . . . . . . . . . . . . -136.35 157.24 23.44 Favored Glycine 0 N--CA 1.443 -0.878 0 CA-C-N 115.695 -0.684 . . . . 52.45 111.593 178.628 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 85' ' ' ILE . . . . . 0.608 HD12 HD12 ' B' ' 36' ' ' LEU . 0.0 OUTLIER -134.84 130.82 52.91 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.877 0 N-CA-C 108.94 -0.763 . . . . 73.1 108.94 -179.452 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 86' ' ' GLY . . . . . 0.484 ' HA2' ' HG ' ' A' ' 4' ' ' LEU . . . -139.7 170.19 24.32 Favored Glycine 0 CA--C 1.516 0.105 0 O-C-N 123.993 0.808 . . . . 52.3 111.31 -177.41 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 87' ' ' PRO . . . . . 0.628 ' HD3' ' HG ' ' A' ' 4' ' ' LEU . 74.2 Cg_endo -72.07 141.43 36.36 Favored 'Trans proline' 0 N--CA 1.461 -0.414 0 C-N-CA 122.242 1.962 . . . . 70.05 111.863 -176.558 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 88' ' ' ASN . . . . . . . . . . . . . 47.6 t-20 -94.84 143.92 26.06 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 108.653 -0.869 . . . . 72.3 108.653 177.174 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -62.73 -18.26 62.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.976 0.417 . . . . 71.21 110.891 -177.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -67.41 -24.78 65.69 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 115.817 -0.628 . . . . 74.05 110.547 175.656 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.04 33.71 3.94 Favored Glycine 0 N--CA 1.45 -0.381 0 N-CA-C 111.233 -0.747 . . . . 72.2 111.233 -173.537 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . -140.37 -142.2 4.14 Favored Glycine 0 N--CA 1.451 -0.323 0 N-CA-C 111.288 -0.725 . . . . 70.13 111.288 -179.356 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 93' ' ' PHE . . . . . 0.566 ' CD2' HD13 ' B' ' 85' ' ' ILE . 19.2 m-85 -113.61 157.39 22.17 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.131 0.491 . . . . 73.12 111.211 179.151 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -142.77 136.72 29.15 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.106 -0.952 . . . . 62.21 108.947 177.642 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -102.87 143.46 32.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.176 0.513 . . . . 74.21 111.608 -175.011 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 96' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -132.15 110.46 10.68 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 114.778 -1.101 . . . . 73.53 108.698 178.329 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 97' ' ' VAL . . . . . 0.745 ' HB ' HG23 ' B' ' 134' ' ' VAL . 61.0 t -110.27 110.77 33.4 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.026 0 CA-C-O 120.736 0.303 . . . . 65.34 111.022 -177.069 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 98' ' ' GLU . . . . . 0.525 ' HG2' ' HB2' ' B' ' 135' ' ' ARG . 40.8 mt-10 -98.33 105.5 17.65 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.481 -0.562 . . . . 74.42 109.481 174.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 14.6 tp -94.0 111.42 23.13 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.308 -0.627 . . . . 75.14 109.308 -177.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 100' ' ' ARG . . . . . 0.57 ' HA ' ' O ' ' B' ' 137' ' ' VAL . 59.1 ttt180 -99.16 131.1 45.44 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.699 -0.682 . . . . 70.24 110.016 -175.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 101' ' ' VAL . . . . . . . . . . . . . 93.1 t -117.06 129.35 73.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.475 -0.329 . . . . 60.12 110.856 -175.554 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -126.22 101.53 6.79 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-O 120.913 0.387 . . . . 53.32 110.186 174.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 103' ' ' LEU . . . . . 0.795 HD23 HD22 ' B' ' 106' ' ' LEU . 27.4 tp -115.76 118.58 38.66 Favored Pre-proline 0 C--N 1.329 -0.295 0 N-CA-C 109.056 -0.72 . . . . 72.24 109.056 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 104' ' ' PRO . . . . . 0.507 ' HD2' HD12 ' B' ' 103' ' ' LEU . 57.1 Cg_endo -68.81 146.51 66.32 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 122.554 2.17 . . . . 74.24 113.085 -174.218 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 105' ' ' GLY . . . . . . . . . . . . . . . 70.1 15.05 71.72 Favored Glycine 0 CA--C 1.518 0.237 0 CA-C-N 115.208 -0.906 . . . . 72.34 112.878 -178.643 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 106' ' ' LEU . . . . . 0.795 HD22 HD23 ' B' ' 103' ' ' LEU . 34.6 tp -119.17 140.81 49.56 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-O 120.824 0.345 . . . . 65.44 111.008 -176.85 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 107' ' ' ASP . . . . . 0.401 ' O ' ' HB2' ' B' ' 111' ' ' ALA . 1.2 t70 -76.71 164.86 25.47 Favored 'General case' 0 CA--C 1.512 -0.506 0 CA-C-N 116.056 -0.52 . . . . 63.12 110.9 178.309 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 108' ' ' ALA . . . . . 0.466 ' O ' ' HG3' ' B' ' 112' ' ' LYS . . . -68.64 -45.59 71.42 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.475 -0.784 . . . . 74.55 109.947 170.416 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -61.16 -47.0 88.22 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 115.645 -0.707 . . . . 64.51 110.727 -176.471 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 110' ' ' ALA . . . . . 0.498 ' O ' HG22 ' B' ' 113' ' ' THR . . . -71.34 -41.42 69.83 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-N 115.699 -0.682 . . . . 72.03 110.194 178.804 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 111' ' ' ALA . . . . . 0.526 ' HA ' HD23 ' B' ' 106' ' ' LEU . . . -54.51 -41.86 70.13 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-N 116.049 -0.523 . . . . 64.14 111.454 178.857 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 112' ' ' LYS . . . . . 0.466 ' HG3' ' O ' ' B' ' 108' ' ' ALA . 28.3 mtpp -52.93 -43.83 66.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.461 -0.336 . . . . 74.45 111.548 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 113' ' ' THR . . . . . 0.498 HG22 ' O ' ' B' ' 110' ' ' ALA . 1.5 t -78.72 -37.64 40.95 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 120.874 -0.33 . . . . 72.03 110.727 -177.613 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 38.5 mt -63.22 -45.9 89.49 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-O 120.956 0.408 . . . . 72.05 110.073 -179.784 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 115' ' ' VAL . . . . . 0.409 HG21 HG13 ' B' ' 138' ' ' VAL . 88.9 t -64.79 -39.12 84.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.749 -0.66 . . . . 63.55 110.029 176.825 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -55.94 -59.28 5.12 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-O 120.907 0.384 . . . . 75.43 110.945 179.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 117' ' ' ARG . . . . . . . . . . . . . 14.5 ptm180 -63.23 -44.73 94.43 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.749 -0.659 . . . . 70.2 111.034 -177.222 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -62.35 -36.48 82.35 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-O 121.391 0.615 . . . . 61.11 110.629 178.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 119' ' ' HIS . . . . . 0.452 ' HA ' ' HB3' ' B' ' 125' ' ' SER . 28.7 t60 -84.04 2.35 39.57 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.457 -0.792 . . . . 74.31 110.208 -178.788 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 57.8 t-80 -108.48 -37.56 5.92 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 120.528 0.204 . . . . 73.32 111.045 178.495 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 30.8 m -79.88 -36.12 16.81 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.319 0 N-CA-C 112.261 0.467 . . . . 73.14 112.261 -175.261 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 122' ' ' CYS . . . . . 0.488 ' SG ' ' HB3' ' B' ' 61' ' ' ALA . 70.0 m -71.34 137.77 83.97 Favored Pre-proline 0 CA--C 1.535 0.387 0 CA-C-N 116.711 -0.222 . . . . 74.53 110.798 -177.256 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 123' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_exo -50.68 -61.24 0.59 Allowed 'Trans proline' 0 C--N 1.355 0.911 0 C-N-CA 123.326 2.684 . . . . 65.25 113.059 -176.262 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 124' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -55.23 -39.76 70.06 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-O 121.209 0.528 . . . . 65.35 110.401 179.706 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 125' ' ' SER . . . . . 0.53 ' O ' HG22 ' B' ' 128' ' ' THR . 28.3 m -69.48 -37.17 77.14 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.43 -0.804 . . . . 64.23 111.792 -174.254 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 126' ' ' ASN . . . . . . . . . . . . . 40.9 t30 -65.95 -48.25 71.92 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.554 0.692 . . . . 74.24 109.634 177.646 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 127' ' ' ALA . . . . . 0.65 ' HB3' ' HB1' ' A' ' 127' ' ' ALA . . . -74.65 0.8 13.9 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 114.783 -1.099 . . . . 74.33 112.304 -177.439 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 128' ' ' THR . . . . . 0.53 HG22 ' O ' ' B' ' 125' ' ' SER . 2.1 t -116.05 -8.04 11.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.827 0.346 . . . . 64.4 110.626 -176.557 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 129' ' ' ARG . . . . . . . . . . . . . 16.6 ptm180 -110.17 -48.47 3.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.465 0.65 . . . . 75.21 109.981 179.3 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 130' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -79.03 -34.38 43.94 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.452 -0.794 . . . . 74.14 110.935 179.182 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 131' ' ' ASN . . . . . 0.636 HD22 ' HB3' ' A' ' 126' ' ' ASN . 8.1 t-20 -96.6 -40.93 8.78 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.847 -0.615 . . . . 75.43 111.079 -176.596 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 132' ' ' VAL . . . . . 0.486 HG22 ' O ' ' B' ' 127' ' ' ALA . 22.6 t -115.47 167.86 7.74 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.489 0 CA-C-N 116.138 -0.483 . . . . 62.31 110.376 -174.121 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 133' ' ' ALA . . . . . 0.475 ' N ' HG12 ' B' ' 132' ' ' VAL . . . -95.57 97.31 9.66 Favored 'General case' 0 C--O 1.242 0.674 0 CA-C-O 121.514 0.674 . . . . 72.23 112.036 -176.727 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 134' ' ' VAL . . . . . 0.745 HG23 ' HB ' ' B' ' 97' ' ' VAL . 72.6 t -122.71 115.46 45.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.12 -0.946 . . . . 64.53 111.386 177.293 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 135' ' ' ARG . . . . . 0.525 ' HB2' ' HG2' ' B' ' 98' ' ' GLU . 17.2 mtp180 -82.29 122.29 27.75 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.371 -0.831 . . . . 74.32 109.296 173.456 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 51.0 mt -91.97 113.21 25.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.03 0.443 . . . . 72.41 110.935 -178.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 137' ' ' VAL . . . . . 0.57 ' O ' ' HA ' ' B' ' 100' ' ' ARG . 0.2 OUTLIER -117.94 114.22 44.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.472 -0.785 . . . . 74.23 110.401 -179.345 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 138' ' ' VAL . . . . . 0.409 HG13 HG21 ' B' ' 115' ' ' VAL . 4.0 m -98.78 138.57 22.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.812 -0.631 . . . . 70.52 110.188 -179.26 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 139' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.188 0 CA-C-N 115.425 -0.807 . . . . 71.35 111.272 -174.869 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.484 ' HE3' ' HA3' ' B' ' 86' ' ' GLY . 15.7 ptt? . . . . . 0 N--CA 1.485 1.278 0 CA-C-O 120.538 0.209 . . . . 71.43 110.634 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 57.0 t30 -73.19 79.95 1.29 Allowed 'General case' 0 CA--C 1.53 0.212 0 CA-C-O 121.461 0.648 . . . . 75.52 110.659 176.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.513 HG21 ' HB2' ' A' ' 6' ' ' LYS . 33.8 mm -73.08 136.93 24.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 115.294 -0.866 . . . . 51.02 111.673 176.779 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.7 ' HG ' ' HD3' ' B' ' 87' ' ' PRO . 87.6 mt -85.19 -46.95 10.59 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.93 -0.577 . . . . 74.21 110.244 176.154 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 44.2 t80 -132.07 128.41 38.15 Favored 'General case' 0 C--O 1.222 -0.384 0 N-CA-C 110.084 -0.339 . . . . 73.42 110.084 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.523 ' HG3' ' O ' ' B' ' 83' ' ' VAL . 29.4 ttmt -137.79 146.59 43.74 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.087 0.47 . . . . 62.42 111.342 179.678 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 4.9 t -144.11 158.89 43.45 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 115.264 -0.88 . . . . 73.02 109.313 178.34 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -123.25 149.14 45.12 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 121.071 0.462 . . . . 64.34 111.851 -175.517 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.614 ' HA ' ' H ' ' A' ' 22' ' ' HIS . . . -138.33 122.4 17.95 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.863 -0.608 . . . . 73.03 110.288 176.8 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 44.1 m -101.5 119.55 38.94 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.322 -0.399 . . . . 73.43 110.53 -178.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 34.4 p -121.08 115.45 23.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.773 0.32 . . . . 74.42 111.138 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 16.7 m -98.65 160.2 14.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 72.12 110.224 177.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -102.44 63.18 0.47 Allowed Glycine 0 N--CA 1.451 -0.338 0 N-CA-C 111.612 -0.595 . . . . 62.44 111.612 177.499 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -55.35 -90.51 0.01 OUTLIER Glycine 0 C--N 1.339 0.7 0 C-N-CA 121.425 -0.417 . . . . 62.02 113.14 -176.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.418 ' HA ' ' NE ' ' A' ' 15' ' ' ARG . 7.4 tpm_? -88.89 -55.08 3.84 Favored 'General case' 0 C--O 1.235 0.294 0 O-C-N 122.396 -0.473 . . . . 73.04 110.276 177.681 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.427 ' HB3' ' HA ' ' A' ' 31' ' ' SER . 18.1 t70 -126.2 -43.39 1.8 Allowed 'General case' 0 N--CA 1.465 0.297 0 C-N-CA 120.939 -0.304 . . . . 74.22 110.223 170.889 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -169.14 161.66 35.3 Favored Glycine 0 C--N 1.338 0.692 0 C-N-CA 120.716 -0.754 . . . . 73.12 111.67 162.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.55 ' HA ' ' HA ' ' A' ' 29' ' ' LYS . 3.8 tmm_? -149.59 122.96 9.02 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.607 -0.516 . . . . 73.24 109.607 -178.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.558 ' HB1' ' HB2' ' B' ' 56' ' ' ALA . . . -117.67 124.1 47.72 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.892 0.377 . . . . 71.12 110.908 -176.409 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 28.6 m -130.68 111.76 12.48 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.855 -0.611 . . . . 65.23 109.569 179.022 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.545 ' HB3' ' N ' ' A' ' 26' ' ' LEU . 46.0 t -67.84 110.71 3.94 Favored 'General case' 0 C--O 1.247 0.951 0 N-CA-C 108.004 -1.11 . . . . 62.3 108.004 177.325 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.614 ' H ' ' HA ' ' A' ' 9' ' ' ALA . 10.0 t-80 -48.49 -40.07 25.31 Favored 'General case' 0 N--CA 1.468 0.45 0 O-C-N 126.016 2.072 . . . . 71.44 113.492 -164.637 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -80.32 26.19 0.37 Allowed 'General case' 0 C--N 1.318 -0.77 0 CA-C-O 121.101 0.477 . . . . 73.43 110.467 -175.009 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.465 ' H ' ' C ' ' A' ' 22' ' ' HIS . 30.1 mm-40 66.59 28.21 9.34 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.266 -0.879 . . . . 72.53 109.921 176.638 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.491 ' HB2' ' OG ' ' A' ' 21' ' ' SER . 73.8 mmtt -86.28 -30.97 21.88 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.048 -0.978 . . . . 73.44 110.0 179.415 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.545 ' N ' ' HB3' ' A' ' 21' ' ' SER . 38.5 tp -153.79 150.69 28.73 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 120.308 -0.557 . . . . 74.42 111.554 -177.431 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -154.88 100.87 2.24 Favored 'General case' 0 C--O 1.234 0.266 0 O-C-N 123.46 0.475 . . . . 74.5 110.391 173.189 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 4.7 m -144.92 176.32 2.27 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.267 0 CA-C-O 121.397 0.617 . . . . 62.12 111.353 177.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.55 ' HA ' ' HA ' ' A' ' 18' ' ' ARG . 9.0 tttp -131.53 143.31 50.29 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.206 -0.907 . . . . 62.42 109.776 -179.594 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.748 ' HA ' ' H ' ' A' ' 44' ' ' THR . 0.0 OUTLIER -127.0 160.44 31.08 Favored 'General case' 0 C--O 1.259 1.567 0 CA-C-O 121.448 0.642 . . . . 73.21 110.942 177.554 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.427 ' HA ' ' HB3' ' A' ' 16' ' ' ASP . 60.0 m -157.73 127.01 5.86 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 114.631 -1.168 . . . . 75.34 110.819 -173.686 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.53 141.4 94.69 Favored Pre-proline 0 C--O 1.238 0.452 0 CA-C-N 116.004 -0.544 . . . . 52.21 111.102 178.56 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_endo -63.21 128.05 21.73 Favored 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 122.741 2.294 . . . . 73.33 112.056 -178.499 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.568 ' HB2' ' CA ' ' A' ' 40' ' ' GLY . 7.0 tpt180 -66.22 -16.48 64.04 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 115.958 -0.564 . . . . 64.52 110.365 -179.218 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -43.95 -51.03 7.95 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 115.336 -0.847 . . . . 75.14 111.928 -175.622 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 41.4 mt -98.01 -41.65 7.87 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.595 -0.73 . . . . 73.53 110.271 -175.003 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 166.28 45.47 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.361 0 CA-C-N 115.654 -0.703 . . . . 72.22 111.613 178.264 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -100.75 -134.09 8.39 Favored Glycine 0 C--N 1.331 0.3 0 C-N-CA 120.896 -0.669 . . . . 73.44 112.042 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -114.36 -27.68 7.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.454 0.169 . . . . 63.22 111.431 -177.559 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.568 ' CA ' ' HB2' ' A' ' 34' ' ' ARG . . . 60.52 34.17 84.61 Favored Glycine 0 C--N 1.333 0.368 0 C-N-CA 121.307 -0.473 . . . . 45.53 112.886 -175.589 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -96.36 158.75 15.29 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 110.409 -0.219 . . . . 51.12 110.409 -179.764 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.455 ' O ' ' HE3' ' A' ' 29' ' ' LYS . 10.3 pt-20 -66.17 79.32 0.09 Allowed 'General case' 0 CA--C 1.532 0.28 0 CA-C-O 121.822 0.82 . . . . 71.23 110.734 177.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -145.04 -173.83 16.69 Favored Glycine 0 N--CA 1.45 -0.428 0 CA-C-N 115.153 -0.93 . . . . 55.55 111.873 178.788 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.748 ' H ' ' HA ' ' A' ' 30' ' ' LEU . 25.6 m -104.65 159.23 15.94 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 110.37 -0.233 . . . . 74.01 110.37 -179.509 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.468 HD21 HG22 ' B' ' 7' ' ' THR . 94.7 m-20 -80.19 121.73 82.12 Favored Pre-proline 0 C--O 1.237 0.427 0 N-CA-C 109.735 -0.468 . . . . 72.33 109.735 173.587 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_exo -57.68 -46.12 28.95 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.703 2.269 . . . . 63.04 111.785 179.461 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -58.39 -36.16 73.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.435 -0.802 . . . . 62.13 110.26 179.156 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.416 ' HA ' HG11 ' A' ' 83' ' ' VAL . 1.0 OUTLIER -65.99 -39.02 89.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.733 -0.667 . . . . 74.41 109.652 177.26 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.522 HD11 ' HA3' ' B' ' 53' ' ' GLY . 1.8 tm? -64.47 -42.76 95.73 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.47 -0.567 . . . . 71.11 109.47 -178.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 58.0 t80 -65.41 -45.42 84.03 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 116.416 -0.356 . . . . 65.21 110.836 176.68 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.14 -49.87 76.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.012 0.434 . . . . 52.03 110.865 179.198 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.608 ' HB3' ' HB3' ' B' ' 19' ' ' ALA . . . -64.59 -40.83 96.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.888 -0.596 . . . . 73.32 110.496 179.602 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.411 ' O ' ' SG ' ' A' ' 57' ' ' CYS . . . -65.16 -41.46 96.94 Favored Glycine 0 N--CA 1.45 -0.415 0 CA-C-N 115.798 -0.637 . . . . 45.35 112.399 178.404 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -66.26 -45.44 80.53 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 110.002 -0.37 . . . . 74.55 110.002 -179.224 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.457 ' HB3' ' HB1' ' A' ' 81' ' ' ALA . 17.6 p -63.45 -46.57 85.63 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.298 -0.41 . . . . 73.1 110.325 178.502 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.492 ' HB2' HD23 ' B' ' 30' ' ' LEU . . . -59.95 -45.71 91.76 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 116.27 -0.423 . . . . 72.41 110.632 177.645 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.411 ' SG ' ' O ' ' A' ' 53' ' ' GLY . 84.7 m -58.85 -36.39 74.49 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.926 -0.579 . . . . 74.4 110.349 177.204 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -57.18 -38.15 73.2 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 116.009 -0.541 . . . . 74.24 109.925 179.77 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.416 ' O ' ' HB2' ' A' ' 63' ' ' LYS . 4.2 mm? -69.01 -36.95 78.36 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 116.22 -0.445 . . . . 74.12 110.918 177.624 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 19.5 m -68.1 -45.82 72.66 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-O 120.842 0.353 . . . . 74.4 110.473 178.648 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.11 -51.15 60.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.078 -0.51 . . . . 64.15 110.524 -179.427 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' MET . . . . . 0.49 ' HE1' ' HA ' ' A' ' 62' ' ' MET . 5.7 tpt -57.31 -32.5 66.74 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 115.903 -0.59 . . . . 61.32 110.052 178.352 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.589 ' HB2' ' HZ2' ' A' ' 63' ' ' LYS . 4.0 ttmp? -68.74 -48.94 62.51 Favored 'General case' 0 CA--C 1.529 0.15 0 CA-C-N 115.752 -0.658 . . . . 62.32 110.368 178.628 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 56.0 t80 -60.66 -41.22 94.58 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 116.226 -0.443 . . . . 70.35 110.055 179.217 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 53.9 t -56.32 -52.01 56.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 115.928 -0.578 . . . . 51.41 110.054 174.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -54.68 -35.57 63.71 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.962 -0.563 . . . . 55.45 110.243 177.311 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -68.51 -34.28 78.76 Favored Glycine 0 N--CA 1.449 -0.48 0 CA-C-N 115.197 -0.911 . . . . 65.01 112.194 -177.337 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 -93.15 -11.23 33.33 Favored 'General case' 0 C--N 1.332 -0.162 0 N-CA-C 108.965 -0.754 . . . . 73.33 108.965 -179.26 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -94.24 -0.64 54.97 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.045 -0.98 . . . . 73.35 110.733 176.402 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 3.1 mptp? 60.54 28.81 18.49 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 121.249 0.547 . . . . 70.5 111.391 177.755 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -123.07 162.42 22.46 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.517 -0.765 . . . . 65.11 110.308 179.036 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 17.6 p -126.06 138.1 53.68 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.92 -0.582 . . . . 71.13 109.722 177.199 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -109.19 147.3 35.68 Favored Pre-proline 0 C--N 1.326 -0.414 0 CA-C-N 116.533 -0.303 . . . . 64.52 110.488 -179.427 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_endo -56.07 126.62 23.0 Favored 'Trans proline' 0 C--N 1.35 0.646 0 C-N-CA 123.143 2.562 . . . . 75.32 112.74 -178.173 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -77.05 -1.74 30.49 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.322 0.582 . . . . 74.43 111.093 179.346 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -84.68 4.4 32.73 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.589 -0.732 . . . . 72.44 110.561 -179.682 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.505 ' HB ' HD11 ' A' ' 103' ' ' LEU . 10.2 t -79.63 167.41 20.73 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.599 -0.728 . . . . 74.0 112.203 -174.703 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -155.75 149.2 24.86 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 115.356 -0.838 . . . . 72.13 110.41 177.836 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 76.8 t -127.03 120.54 55.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 N-CA-C 109.184 -0.673 . . . . 73.54 109.184 174.026 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.404 ' HB ' ' HB3' ' A' ' 100' ' ' ARG . 20.7 m -98.14 113.95 26.01 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.901 -0.591 . . . . 61.0 110.15 -179.185 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.457 ' HB1' ' HB3' ' A' ' 55' ' ' SER . . . -101.62 106.45 17.51 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.107 -0.497 . . . . 75.0 110.012 179.403 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.57 ' HG2' ' HD3' ' B' ' 6' ' ' LYS . 42.5 tt0 -106.96 107.62 18.72 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.49 -0.559 . . . . 75.53 109.49 -179.056 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.416 HG11 ' HA ' ' A' ' 48' ' ' GLN . 7.7 p -105.56 139.08 27.82 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.336 0 CA-C-O 120.859 0.361 . . . . 74.25 110.985 -173.379 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.445 ' HA2' ' HA ' ' B' ' 6' ' ' LYS . . . -140.24 175.32 22.02 Favored Glycine 0 N--CA 1.446 -0.636 0 CA-C-N 116.267 -0.424 . . . . 64.22 112.677 -178.536 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -147.61 135.53 14.68 Favored 'Isoleucine or valine' 0 C--O 1.241 0.632 0 N-CA-C 109.208 -0.664 . . . . 71.32 109.208 -178.858 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -147.96 169.8 28.68 Favored Glycine 0 C--O 1.229 -0.217 0 N-CA-C 110.762 -0.935 . . . . 64.2 110.762 179.209 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . 0.683 ' HD3' ' HG ' ' B' ' 4' ' ' LEU . 98.5 Cg_endo -79.49 140.84 15.37 Favored 'Trans proline' 0 N--CA 1.459 -0.524 0 C-N-CA 122.109 1.872 . . . . 75.13 112.287 -177.484 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . 0.401 ' HB2' ' HB2' ' A' ' 94' ' ' ALA . 45.9 t-20 -89.34 148.07 23.73 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 108.475 -0.935 . . . . 63.43 108.475 176.046 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.401 ' N ' ' OD1' ' A' ' 88' ' ' ASN . 13.4 pt-20 -61.41 -14.74 30.52 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.004 0.43 . . . . 74.31 111.077 -179.061 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -67.13 -22.56 65.78 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 115.856 -0.611 . . . . 62.35 110.651 175.051 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.15 21.88 9.16 Favored Glycine 0 N--CA 1.454 -0.142 0 CA-C-N 115.691 -0.686 . . . . 52.42 112.017 -179.118 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -129.82 -150.47 6.99 Favored Glycine 0 N--CA 1.451 -0.365 0 N-CA-C 111.185 -0.766 . . . . 74.12 111.185 178.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -107.59 158.76 16.97 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.189 0.519 . . . . 72.25 111.045 178.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.401 ' HB2' ' HB2' ' A' ' 88' ' ' ASN . . . -144.48 128.93 17.97 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.215 -0.902 . . . . 73.43 108.807 178.912 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -97.29 141.31 30.55 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-O 121.133 0.492 . . . . 75.45 111.439 -175.568 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -133.16 150.81 52.0 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 114.901 -1.045 . . . . 62.1 109.061 -176.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.522 ' CG1' HG21 ' A' ' 134' ' ' VAL . 4.9 p -159.18 131.81 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-O 121.361 0.6 . . . . 41.42 110.939 174.24 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -103.75 121.41 42.94 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.184 -0.916 . . . . 52.25 109.918 -176.104 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 82.0 mt -101.09 106.48 17.75 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 109.713 -0.477 . . . . 73.33 109.713 176.026 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.512 ' HA ' HG13 ' A' ' 137' ' ' VAL . 15.1 ttt180 -102.21 104.0 14.54 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.434 -0.803 . . . . 73.43 109.32 -177.025 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 55.1 t -99.46 97.25 5.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.592 0.234 . . . . 72.23 110.858 -169.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -93.04 101.36 13.69 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.372 -0.376 . . . . 73.1 110.248 179.602 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.892 HD21 HD21 ' A' ' 106' ' ' LEU . 28.0 tp -113.98 117.83 43.37 Favored Pre-proline 0 C--O 1.236 0.343 0 N-CA-C 108.657 -0.868 . . . . 73.31 108.657 178.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . 0.514 ' HD2' HD11 ' A' ' 103' ' ' LEU . 61.4 Cg_endo -74.23 151.06 43.13 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.691 2.261 . . . . 73.52 112.331 -175.661 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 69.94 15.41 71.64 Favored Glycine 0 CA--C 1.521 0.415 0 CA-C-N 115.784 -0.644 . . . . 54.45 112.608 -179.032 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.892 HD21 HD21 ' A' ' 103' ' ' LEU . 34.4 tp -119.94 142.66 48.53 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 122.694 0.397 . . . . 65.03 111.266 -176.42 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -77.86 164.97 24.69 Favored 'General case' 0 CA--C 1.513 -0.463 0 CA-C-N 116.095 -0.502 . . . . 72.42 110.821 178.219 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . 0.477 ' O ' ' HG3' ' A' ' 112' ' ' LYS . . . -68.81 -45.62 70.76 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.359 -0.837 . . . . 74.35 109.669 170.148 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -60.89 -46.24 91.42 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 115.516 -0.766 . . . . 64.13 111.049 -177.277 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . 0.604 ' O ' HG21 ' A' ' 113' ' ' THR . . . -71.46 -42.11 68.56 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.813 -0.63 . . . . 73.25 110.322 178.682 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . 0.518 ' HA ' HD22 ' A' ' 106' ' ' LEU . . . -54.66 -42.99 71.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.253 -0.43 . . . . 54.13 111.401 178.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . 0.477 ' HG3' ' O ' ' A' ' 108' ' ' ALA . 55.3 mtpt -56.86 -36.54 70.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.484 -0.326 . . . . 74.23 111.862 -178.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' THR . . . . . 0.604 HG21 ' O ' ' A' ' 110' ' ' ALA . 1.9 t -81.26 -38.19 27.28 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 120.919 -0.312 . . . . 74.22 110.267 -179.026 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.468 ' HG ' ' O ' ' A' ' 110' ' ' ALA . 54.7 mt -63.91 -49.1 73.99 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 116.397 -0.365 . . . . 61.01 110.685 -177.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . 0.494 HG21 HG12 ' A' ' 138' ' ' VAL . 85.3 t -64.58 -36.36 77.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 72.22 110.246 178.079 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -60.58 -52.86 63.36 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 116.118 -0.492 . . . . 65.51 110.872 -179.014 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . 0.438 ' HG2' ' O ' ' A' ' 113' ' ' THR . 15.4 ptm180 -69.69 -42.24 74.37 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-N 115.873 -0.603 . . . . 65.24 110.785 -177.153 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -59.99 -38.49 82.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.271 0.558 . . . . 63.41 110.199 176.694 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . 0.509 ' O ' ' SG ' ' A' ' 122' ' ' CYS . 43.8 t-80 -73.57 -24.79 60.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.645 -0.707 . . . . 74.13 110.268 177.007 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 34.7 t-80 -72.36 -37.05 68.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.054 -0.521 . . . . 75.14 110.142 178.1 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 28.0 m -92.16 1.85 8.66 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.414 0 CA-C-N 115.994 -0.548 . . . . 74.54 112.453 -178.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' CYS . . . . . 0.509 ' SG ' ' O ' ' A' ' 119' ' ' HIS . 21.1 p -72.13 131.42 85.31 Favored Pre-proline 0 CA--C 1.535 0.4 0 C-N-CA 121.09 -0.244 . . . . 72.12 110.388 -179.408 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . 0.448 ' HD3' ' HA ' ' A' ' 122' ' ' CYS . 12.4 Cg_exo -71.45 7.77 1.4 Allowed 'Trans proline' 0 C--N 1.353 0.774 0 C-N-CA 123.166 2.577 . . . . 75.04 113.597 -176.514 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 26.9 m-85 -113.75 33.44 5.18 Favored 'General case' 0 N--CA 1.468 0.434 0 N-CA-C 109.207 -0.664 . . . . 65.44 109.207 178.659 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' SER . . . . . 0.579 ' O ' HG22 ' A' ' 128' ' ' THR . 8.0 p -57.15 -61.2 2.63 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 115.84 -0.618 . . . . 65.33 112.567 -174.477 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' ASN . . . . . 0.507 ' HB2' ' HB2' ' B' ' 131' ' ' ASN . 18.9 m120 -58.5 -31.88 68.29 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-O 121.317 0.579 . . . . 73.42 109.915 178.782 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . 0.42 ' HB3' ' HB1' ' B' ' 127' ' ' ALA . . . -80.71 6.08 13.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.352 -0.84 . . . . 54.1 112.033 -177.057 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' THR . . . . . 0.579 HG22 ' O ' ' A' ' 125' ' ' SER . 0.8 OUTLIER -109.87 -18.84 13.31 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.322 0.582 . . . . 73.21 110.112 -177.346 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 23.4 ptt180 -135.66 -48.54 0.69 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.717 -0.674 . . . . 72.04 112.089 -176.235 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 17.0 m120 -73.85 -38.63 64.43 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.203 -0.453 . . . . 71.52 111.884 -173.551 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . 0.485 HD22 ' HA ' ' B' ' 123' ' ' PRO . 0.2 OUTLIER -90.73 -40.55 11.78 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.713 -0.395 . . . . 72.12 110.722 -178.408 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 30.1 m -139.46 175.3 7.6 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.195 0 CA-C-O 120.758 0.313 . . . . 70.22 110.962 -176.737 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -107.73 97.13 6.89 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.304 0.573 . . . . 45.42 110.727 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . 0.522 HG21 ' CG1' ' A' ' 97' ' ' VAL . 28.5 t -94.83 120.17 43.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 115.557 -0.747 . . . . 75.02 110.512 175.003 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 34.1 mmt180 -95.47 127.18 41.29 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.515 -0.55 . . . . 74.34 109.515 177.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 45.6 mt -95.58 123.87 39.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.911 0.386 . . . . 50.04 111.403 -178.667 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . 0.512 HG13 ' HA ' ' A' ' 100' ' ' ARG . 0.2 OUTLIER -133.92 128.33 53.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.57 -0.741 . . . . 74.42 110.011 177.415 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . 0.494 HG12 HG21 ' A' ' 115' ' ' VAL . 3.9 m -101.94 139.23 23.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.047 -0.524 . . . . 71.15 109.921 -179.802 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.317 -0.836 0 CA-C-N 115.979 -0.555 . . . . 73.13 110.903 -175.82 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 28.6 ptm . . . . . 0 C--O 1.232 0.168 0 CA-C-O 121.218 0.532 . . . . 72.42 110.798 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 2' ' ' ASN . . . . . 0.476 ' O ' ' HD2' ' A' ' 87' ' ' PRO . 35.7 t30 -96.23 85.07 3.89 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.554 -0.748 . . . . 61.35 109.8 -179.658 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . 0.497 HG21 ' HB2' ' B' ' 6' ' ' LYS . 28.1 mm -70.83 122.93 23.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 116.073 -0.512 . . . . 72.42 111.393 179.353 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . 0.683 ' HG ' ' HD3' ' A' ' 87' ' ' PRO . 92.8 mt -83.64 -41.4 17.83 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.556 -0.747 . . . . 75.25 110.291 178.058 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 5' ' ' TYR . . . . . . . . . . . . . 49.8 t80 -140.69 133.23 28.59 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 116.102 -0.499 . . . . 75.45 110.197 -179.407 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . 0.57 ' HD3' ' HG2' ' A' ' 82' ' ' GLU . 30.7 ttmt -141.98 137.23 31.05 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.133 0.492 . . . . 65.01 110.882 177.657 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 7' ' ' THR . . . . . 0.468 HG22 HD21 ' A' ' 45' ' ' ASN . 7.0 t -129.69 137.76 50.78 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.384 -0.826 . . . . 73.02 109.065 -179.842 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . 0.449 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . . . -105.54 151.2 24.6 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.172 0.51 . . . . 64.22 111.549 -173.211 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . 0.417 ' HA ' ' H ' ' B' ' 22' ' ' HIS . . . -137.85 144.49 41.46 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.654 -0.703 . . . . 71.2 109.943 175.727 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 62.4 m -120.28 117.27 27.38 Favored 'General case' 0 N--CA 1.439 -1.008 0 N-CA-C 108.565 -0.902 . . . . 64.31 108.565 -178.194 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 70.6 m -116.0 114.77 25.05 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-N 115.793 -0.64 . . . . 74.14 110.969 -173.466 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 12' ' ' THR . . . . . 0.441 HG23 ' N ' ' B' ' 13' ' ' GLY . 15.8 m -98.93 164.35 12.23 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 116.004 -0.544 . . . . 73.24 111.079 -176.513 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . 0.441 ' N ' HG23 ' B' ' 12' ' ' THR . . . -94.34 74.42 1.05 Allowed Glycine 0 CA--C 1.519 0.328 0 N-CA-C 111.384 -0.686 . . . . 71.12 111.384 171.772 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -66.61 -95.82 0.03 OUTLIER Glycine 0 C--N 1.335 0.482 0 C-N-CA 121.072 -0.585 . . . . 73.4 112.403 179.141 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 8.1 mpt_? -88.2 -55.08 3.89 Favored 'General case' 0 N--CA 1.466 0.339 0 N-CA-C 109.329 -0.619 . . . . 65.14 109.329 174.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 16' ' ' ASP . . . . . 0.528 ' HB3' ' HA ' ' B' ' 31' ' ' SER . 20.2 t70 -125.68 -42.84 1.9 Allowed 'General case' 0 CA--C 1.514 -0.405 0 CA-C-N 115.748 -0.66 . . . . 65.33 109.469 172.591 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 17' ' ' GLY . . . . . 0.404 ' O ' ' HG3' ' B' ' 29' ' ' LYS . . . -161.31 160.67 32.38 Favored Glycine 0 N--CA 1.445 -0.706 0 CA-C-N 115.294 -0.866 . . . . 74.22 111.631 171.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 18' ' ' ARG . . . . . 0.605 ' HA ' ' HA ' ' B' ' 29' ' ' LYS . 51.1 ttt180 -139.09 151.68 46.91 Favored 'General case' 0 C--N 1.316 -0.852 0 N-CA-C 108.685 -0.857 . . . . 74.4 108.685 177.144 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 19' ' ' ALA . . . . . 0.608 ' HB3' ' HB3' ' A' ' 52' ' ' ALA . . . -142.65 123.79 14.55 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.788 -0.449 . . . . 64.31 109.788 178.711 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 56.5 m -132.82 110.62 10.47 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.53 -0.304 . . . . 75.11 110.535 -179.683 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 21' ' ' SER . . . . . 0.491 ' HB3' ' N ' ' B' ' 26' ' ' LEU . 43.6 t -64.27 107.1 1.23 Allowed 'General case' 0 C--O 1.247 0.928 0 N-CA-C 107.193 -1.41 . . . . 74.21 107.193 177.374 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 22' ' ' HIS . . . . . 0.417 ' H ' ' HA ' ' B' ' 9' ' ' ALA . 86.4 t60 -62.1 -10.99 11.77 Favored 'General case' 0 C--N 1.345 0.406 0 O-C-N 125.869 1.98 . . . . 73.12 111.749 -167.887 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . 0.462 ' HB3' ' HE3' ' B' ' 25' ' ' LYS . 1.3 m-20 -80.21 9.21 5.95 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.204 -0.665 . . . . 63.54 109.204 175.822 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 33.3 mm-40 71.48 17.45 5.71 Favored 'General case' 0 CA--C 1.518 -0.25 0 CA-C-N 115.095 -0.957 . . . . 71.43 109.907 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.462 ' HE3' ' HB3' ' B' ' 23' ' ' ASP . 86.6 mttt -85.28 -27.87 25.7 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 115.131 -0.94 . . . . 41.25 111.747 -179.484 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . 0.491 ' N ' ' HB3' ' B' ' 21' ' ' SER . 39.9 tp -149.67 147.51 28.18 Favored 'General case' 0 CA--C 1.504 -0.797 0 C-N-CA 119.289 -0.964 . . . . 73.34 112.194 -176.449 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -154.96 100.75 2.22 Favored 'General case' 0 N--CA 1.442 -0.829 0 CA-C-N 115.089 -0.959 . . . . 53.33 109.901 177.296 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 3.1 m -144.9 178.04 1.61 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.407 0 CA-C-N 115.874 -0.603 . . . . 74.12 111.397 179.114 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.726 ' HZ1' ' HB3' ' B' ' 29' ' ' LYS . 1.0 OUTLIER -141.57 143.13 33.57 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.341 -0.845 . . . . 74.12 109.816 -179.812 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . 0.671 ' HA ' ' H ' ' B' ' 44' ' ' THR . 0.0 OUTLIER -123.56 154.13 39.66 Favored 'General case' 0 C--O 1.246 0.873 0 CA-C-O 121.239 0.542 . . . . 72.32 110.787 179.058 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 31' ' ' SER . . . . . 0.528 ' HA ' ' HB3' ' B' ' 16' ' ' ASP . 66.2 m -162.87 118.18 1.78 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 114.726 -1.125 . . . . 62.35 109.774 -175.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.32 131.53 90.21 Favored Pre-proline 0 C--O 1.236 0.367 0 CA-C-N 116.097 -0.501 . . . . 75.13 110.408 178.233 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 33' ' ' PRO . . . . . 0.565 ' HD2' ' OD1' ' B' ' 45' ' ' ASN . 11.6 Cg_endo -55.2 151.56 35.0 Favored 'Trans proline' 0 C--N 1.35 0.619 0 C-N-CA 122.552 2.168 . . . . 72.21 111.152 176.621 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 42.7 tpt85 -80.28 -1.16 39.66 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.358 -0.383 . . . . 71.43 110.774 -175.736 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 45.8 mm-40 -42.1 -54.82 3.45 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 115.419 -0.81 . . . . 72.42 112.957 -176.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 6.1 mp -95.93 -51.19 4.57 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.287 0.565 . . . . 63.52 109.677 -178.586 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 178.3 40.15 0.06 OUTLIER Glycine 0 N--CA 1.448 -0.559 0 CA-C-N 115.504 -0.771 . . . . 51.22 111.733 178.499 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -88.79 -130.6 3.74 Favored Glycine 0 C--N 1.333 0.386 0 C-N-CA 120.628 -0.796 . . . . 64.12 111.977 179.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -123.74 -14.47 7.23 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.474 0.178 . . . . 71.25 111.22 179.745 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 51.65 40.55 48.36 Favored Glycine 0 C--N 1.334 0.432 0 C-N-CA 121.351 -0.452 . . . . 53.13 112.679 -176.115 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -104.57 172.15 6.95 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.047 0.451 . . . . 75.21 111.105 -177.151 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . 0.486 ' O ' ' HE2' ' B' ' 29' ' ' LYS . 10.1 pt-20 -70.93 76.88 0.64 Allowed 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 115.435 -0.802 . . . . 74.14 111.165 179.409 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -155.43 -175.57 26.61 Favored Glycine 0 CA--C 1.521 0.413 0 C-N-CA 120.967 -0.635 . . . . 72.12 113.26 177.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 44' ' ' THR . . . . . 0.671 ' H ' ' HA ' ' B' ' 30' ' ' LEU . 22.2 m -105.58 162.89 13.1 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 123.16 0.584 . . . . 70.51 110.232 178.311 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 45' ' ' ASN . . . . . 0.565 ' OD1' ' HD2' ' B' ' 33' ' ' PRO . 17.4 t30 -85.81 138.55 35.31 Favored Pre-proline 0 CA--C 1.541 0.609 0 N-CA-C 109.886 -0.412 . . . . 71.14 109.886 -178.613 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 46' ' ' PRO . . . . . 0.466 ' HD2' ' OD1' ' B' ' 45' ' ' ASN . 18.5 Cg_endo -56.49 -57.0 1.61 Allowed 'Trans proline' 0 C--N 1.352 0.761 0 C-N-CA 123.422 2.748 . . . . 54.41 114.331 -172.605 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.08 -30.41 71.36 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 120.9 0.381 . . . . 73.03 110.353 -174.246 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -65.27 -41.89 93.77 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 109.234 -0.654 . . . . 65.22 109.234 175.087 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -59.91 -51.48 69.51 Favored 'General case' 0 C--O 1.239 0.502 0 CA-C-N 115.628 -0.714 . . . . 73.15 109.616 179.495 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 38.7 t80 -60.05 -44.73 94.49 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 116.427 -0.351 . . . . 74.53 110.611 177.302 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . 0.552 ' HB1' HG11 ' B' ' 83' ' ' VAL . . . -56.19 -50.11 72.14 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 116.42 -0.354 . . . . 63.22 111.22 179.525 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.26 -50.64 72.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.087 -0.506 . . . . 74.31 111.089 -179.766 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . 0.522 ' HA3' HD11 ' A' ' 49' ' ' LEU . . . -61.66 -45.1 96.99 Favored Glycine 0 C--N 1.332 0.346 0 C-N-CA 120.937 -0.649 . . . . 73.22 112.325 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -61.11 -53.22 59.75 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 122.825 0.45 . . . . 73.43 110.549 178.519 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 55' ' ' SER . . . . . 0.479 ' OG ' ' HB1' ' B' ' 81' ' ' ALA . 54.2 m -57.7 -48.42 79.61 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.684 0.278 . . . . 71.55 110.545 -178.291 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 56' ' ' ALA . . . . . 0.558 ' HB2' ' HB1' ' A' ' 19' ' ' ALA . . . -59.42 -41.22 89.03 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-O 120.982 0.42 . . . . 72.32 110.638 177.662 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 57' ' ' CYS . . . . . . . . . . . . . 39.2 t -62.88 -36.65 84.0 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.725 -0.67 . . . . 72.4 110.221 176.796 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 48.3 t80 -60.57 -40.2 90.82 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.059 -0.519 . . . . 61.11 110.313 -176.379 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -62.92 -46.5 87.52 Favored 'General case' 0 CA--C 1.53 0.189 0 CA-C-N 116.387 -0.369 . . . . 73.31 110.632 177.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 15.8 t -70.26 -41.81 72.99 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 116.554 -0.294 . . . . 73.23 110.935 -176.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -63.63 -46.93 83.45 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.34 -0.391 . . . . 44.1 110.126 178.478 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 62' ' ' MET . . . . . 0.466 ' HA ' ' HE1' ' B' ' 62' ' ' MET . 5.4 tpt -57.83 -37.7 74.3 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 115.851 -0.613 . . . . 71.0 109.65 175.866 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . 0.536 ' HZ3' ' HB3' ' B' ' 63' ' ' LYS . 7.6 ttpm? -64.33 -45.45 87.82 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.349 -0.841 . . . . 72.03 110.491 178.142 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 79.2 t80 -66.89 -39.83 87.59 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 116.342 -0.39 . . . . 73.11 110.26 -179.701 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 46.5 t -55.39 -47.41 78.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 N-CA-C 109.621 -0.511 . . . . 75.05 109.621 174.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -56.86 -34.15 67.54 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.853 -0.612 . . . . 74.13 110.032 175.529 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -70.35 -35.39 69.25 Favored Glycine 0 N--CA 1.451 -0.364 0 CA-C-N 115.379 -0.828 . . . . 75.04 112.248 -177.003 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -90.57 -13.91 33.57 Favored 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 109.035 -0.728 . . . . 64.5 109.035 -178.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 69' ' ' ASN . . . . . 0.483 ' HB3' ' HG2' ' B' ' 71' ' ' GLN . 8.7 m-80 -93.12 0.07 57.13 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.076 -0.965 . . . . 65.21 110.382 174.597 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 60.35 26.84 16.38 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 115.99 -0.55 . . . . 73.12 111.424 175.627 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . 0.483 ' HG2' ' HB3' ' B' ' 69' ' ' ASN . 4.9 pt20 -119.62 164.94 15.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.62 -0.718 . . . . 74.24 110.103 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 21.5 p -127.7 131.61 49.73 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.018 0.437 . . . . 74.12 110.502 178.195 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -109.38 155.01 41.91 Favored Pre-proline 0 C--N 1.324 -0.528 0 CA-C-N 115.797 -0.638 . . . . 75.15 109.926 177.872 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 74' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_exo -57.91 133.09 53.65 Favored 'Trans proline' 0 C--N 1.35 0.61 0 C-N-CA 122.526 2.151 . . . . 74.32 112.341 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -72.51 -17.3 61.76 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.482 0.658 . . . . 71.53 111.154 177.771 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -87.63 25.27 1.51 Allowed 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.333 -0.849 . . . . 60.22 110.782 -171.317 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 77' ' ' THR . . . . . 0.529 ' CB ' HD23 ' B' ' 103' ' ' LEU . 4.0 t -94.73 156.66 16.29 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.841 -0.618 . . . . 73.25 110.389 178.217 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 60.4 m -148.25 150.31 33.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.979 0.419 . . . . 71.23 110.532 -179.499 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 70.2 t -127.63 127.44 68.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 N-CA-C 109.156 -0.683 . . . . 54.24 109.156 177.48 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 60.9 m -114.21 115.06 26.86 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.741 0.305 . . . . 75.2 110.744 -178.743 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 81' ' ' ALA . . . . . 0.479 ' HB1' ' OG ' ' B' ' 55' ' ' SER . . . -93.3 105.7 17.74 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.022 -0.535 . . . . 73.43 110.229 178.351 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 82' ' ' GLU . . . . . 0.505 ' HG2' ' HD3' ' A' ' 6' ' ' LYS . 29.4 tt0 -102.91 107.42 18.24 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 108.52 -0.918 . . . . 71.23 108.52 176.256 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . 0.552 HG11 ' HB1' ' B' ' 51' ' ' ALA . 30.4 m -110.82 144.14 19.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.932 -0.576 . . . . 71.44 111.373 -170.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 84' ' ' GLY . . . . . 0.407 ' HA3' HG21 ' A' ' 3' ' ' ILE . . . -144.03 156.59 26.77 Favored Glycine 0 N--CA 1.441 -1.002 0 CA-C-N 116.08 -0.509 . . . . 52.45 112.353 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 85' ' ' ILE . . . . . 0.509 HD11 ' CD2' ' B' ' 93' ' ' PHE . 0.0 OUTLIER -121.97 132.44 70.92 Favored 'Isoleucine or valine' 0 C--O 1.242 0.678 0 N-CA-C 108.831 -0.803 . . . . 73.1 108.831 176.596 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 86' ' ' GLY . . . . . 0.484 ' HA3' ' HE3' ' A' ' 1' ' ' MET . . . -138.91 170.28 24.08 Favored Glycine 0 N--CA 1.453 -0.171 0 N-CA-C 111.028 -0.829 . . . . 52.3 111.028 -179.508 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 87' ' ' PRO . . . . . 0.7 ' HD3' ' HG ' ' A' ' 4' ' ' LEU . 37.1 Cg_endo -85.27 131.68 4.24 Favored 'Trans proline' 0 N--CA 1.452 -0.913 0 C-N-CA 122.465 2.11 . . . . 70.05 112.306 -176.794 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 88' ' ' ASN . . . . . . . . . . . . . 52.1 t-20 -79.13 141.84 36.93 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.381 -0.827 . . . . 72.3 109.319 178.622 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -61.99 -19.76 63.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.979 0.418 . . . . 71.21 110.985 -178.741 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -67.53 -20.98 65.49 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 116.014 -0.539 . . . . 74.05 110.613 176.294 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.27 35.43 3.37 Favored Glycine 0 N--CA 1.451 -0.301 0 CA-C-N 115.842 -0.617 . . . . 72.2 111.737 -177.283 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . -141.0 -145.2 4.55 Favored Glycine 0 N--CA 1.451 -0.325 0 N-CA-C 111.214 -0.755 . . . . 70.13 111.214 179.718 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 93' ' ' PHE . . . . . 0.509 ' CD2' HD11 ' B' ' 85' ' ' ILE . 42.6 m-85 -111.57 163.47 14.04 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.878 0.371 . . . . 73.12 110.497 178.78 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 94' ' ' ALA . . . . . 0.474 ' HB1' ' HE2' ' A' ' 1' ' ' MET . . . -148.28 126.91 12.48 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.434 -0.803 . . . . 62.21 109.201 178.341 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -98.17 129.47 44.94 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.106 0.479 . . . . 74.21 110.977 -176.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 96' ' ' ASP . . . . . 0.405 ' HB3' HD12 ' A' ' 3' ' ' ILE . 12.3 t70 -122.08 128.67 51.62 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.043 -0.98 . . . . 73.53 109.896 -178.139 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 97' ' ' VAL . . . . . 0.728 ' HB ' HG21 ' B' ' 134' ' ' VAL . 85.7 t -125.03 110.4 24.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 N-CA-C 110.175 -0.306 . . . . 65.34 110.175 177.427 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -94.1 101.99 14.03 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 108.703 -0.851 . . . . 74.42 108.703 177.092 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 17.7 tp -100.43 111.86 24.16 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 115.96 -0.564 . . . . 75.14 110.357 -171.607 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 100' ' ' ARG . . . . . 0.546 ' HA ' ' O ' ' B' ' 137' ' ' VAL . 71.7 mtt85 -98.92 123.03 42.92 Favored 'General case' 0 CA--C 1.52 -0.193 0 CA-C-N 116.139 -0.482 . . . . 70.24 111.288 -176.719 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 101' ' ' VAL . . . . . . . . . . . . . 83.1 t -106.19 108.36 24.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.506 -0.77 . . . . 60.12 110.588 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 102' ' ' ALA . . . . . 0.481 ' HA ' ' HB1' ' B' ' 139' ' ' ALA . . . -104.17 101.13 10.88 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.971 -0.381 . . . . 53.32 109.971 176.458 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 103' ' ' LEU . . . . . 0.533 ' HB3' HD22 ' B' ' 106' ' ' LEU . 0.3 OUTLIER -114.41 114.69 45.15 Favored Pre-proline 0 C--N 1.327 -0.375 0 N-CA-C 108.787 -0.82 . . . . 72.24 108.787 179.824 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 104' ' ' PRO . . . . . 0.413 ' HD2' ' HB ' ' B' ' 77' ' ' THR . 57.2 Cg_endo -70.41 148.92 61.89 Favored 'Trans proline' 0 C--O 1.234 0.285 0 C-N-CA 122.492 2.128 . . . . 74.24 112.438 -179.298 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 105' ' ' GLY . . . . . . . . . . . . . . . 70.71 14.86 73.06 Favored Glycine 0 CA--C 1.517 0.201 0 CA-C-N 115.515 -0.766 . . . . 72.34 112.759 -179.169 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 106' ' ' LEU . . . . . 0.533 HD22 ' HB3' ' B' ' 103' ' ' LEU . 25.1 tp -124.69 137.87 54.33 Favored 'General case' 0 C--O 1.238 0.458 0 CA-C-O 120.985 0.422 . . . . 65.44 110.908 -177.54 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -73.91 143.21 45.85 Favored 'General case' 0 CA--C 1.519 -0.233 0 CA-C-N 115.649 -0.705 . . . . 63.12 110.022 176.504 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 108' ' ' ALA . . . . . 0.532 ' O ' ' HG3' ' B' ' 112' ' ' LYS . . . -62.69 -37.34 86.07 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.966 0.412 . . . . 74.55 110.641 176.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -59.68 -49.7 76.72 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.853 -0.612 . . . . 64.51 110.658 178.525 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 110' ' ' ALA . . . . . 0.554 ' O ' HG21 ' B' ' 113' ' ' THR . . . -66.67 -42.72 86.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.785 -0.643 . . . . 72.03 110.036 178.144 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -55.34 -37.52 67.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.736 -0.666 . . . . 64.14 110.986 -179.719 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 112' ' ' LYS . . . . . 0.532 ' HG3' ' O ' ' B' ' 108' ' ' ALA . 63.6 mttp -52.08 -44.2 64.25 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 116.331 -0.395 . . . . 74.45 111.02 177.813 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 113' ' ' THR . . . . . 0.554 HG21 ' O ' ' B' ' 110' ' ' ALA . 1.9 t -82.06 -36.88 27.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.801 0.334 . . . . 72.03 110.718 -177.18 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 114' ' ' LEU . . . . . 0.473 ' HG ' ' O ' ' B' ' 110' ' ' ALA . 47.3 mt -61.91 -47.43 84.96 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.246 -0.434 . . . . 72.05 110.507 -178.285 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 115' ' ' VAL . . . . . 0.4 HG22 HG11 ' B' ' 138' ' ' VAL . 78.7 t -65.91 -34.23 68.88 Favored 'Isoleucine or valine' 0 C--O 1.237 0.434 0 CA-C-N 115.99 -0.55 . . . . 63.55 110.432 179.485 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -63.92 -57.79 8.71 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 115.911 -0.586 . . . . 75.43 110.452 -179.659 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 117' ' ' ARG . . . . . . . . . . . . . 13.6 ptm180 -64.93 -35.55 81.53 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 115.966 -0.561 . . . . 70.2 110.358 -177.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -59.34 -40.47 86.47 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.052 -0.522 . . . . 61.11 109.674 174.738 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 119' ' ' HIS . . . . . 0.725 ' HA ' ' HB3' ' B' ' 125' ' ' SER . 15.5 m80 -73.67 1.24 10.66 Favored 'General case' 0 N--CA 1.455 -0.201 0 CA-C-N 115.904 -0.589 . . . . 74.31 112.322 178.038 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -108.55 -33.52 7.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.849 0.357 . . . . 73.32 110.479 176.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 34.8 m -94.4 -39.34 10.26 Favored 'Isoleucine or valine' 0 C--O 1.234 0.286 0 N-CA-C 112.071 0.397 . . . . 73.14 112.071 -176.097 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 122' ' ' CYS . . . . . . . . . . . . . 68.8 m -76.92 140.75 67.17 Favored Pre-proline 0 C--O 1.238 0.448 0 CA-C-O 120.4 0.143 . . . . 74.53 111.039 -176.536 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 123' ' ' PRO . . . . . 0.485 ' HA ' HD22 ' A' ' 131' ' ' ASN . 48.2 Cg_exo -56.75 162.43 8.64 Favored 'Trans proline' 0 C--N 1.353 0.811 0 C-N-CA 122.809 2.339 . . . . 65.25 111.727 176.526 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 124' ' ' TYR . . . . . . . . . . . . . 79.4 m-85 73.7 -53.25 0.69 Allowed 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 123.449 0.7 . . . . 65.35 110.531 -177.473 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 125' ' ' SER . . . . . 0.725 ' HB3' ' HA ' ' B' ' 119' ' ' HIS . 50.4 m -55.87 -48.2 75.98 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.139 -0.937 . . . . 64.23 113.257 -172.849 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 126' ' ' ASN . . . . . . . . . . . . . 52.3 t30 -59.92 -38.92 83.72 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.458 0.647 . . . . 74.24 109.743 -179.266 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 127' ' ' ALA . . . . . 0.653 ' O ' ' HB3' ' B' ' 131' ' ' ASN . . . -87.83 6.61 34.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.178 -0.919 . . . . 74.33 111.516 -179.409 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 128' ' ' THR . . . . . 0.577 HG22 ' O ' ' B' ' 125' ' ' SER . 1.1 t -109.15 -16.63 14.05 Favored 'General case' 0 C--O 1.223 -0.292 0 N-CA-C 109.751 -0.463 . . . . 64.4 109.751 176.52 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 129' ' ' ARG . . . . . 0.531 ' HD2' ' HB3' ' B' ' 119' ' ' HIS . 12.3 ptm180 -105.48 -47.96 3.8 Favored 'General case' 0 N--CA 1.455 -0.198 0 N-CA-C 109.512 -0.551 . . . . 75.21 109.512 -175.878 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 130' ' ' ASN . . . . . . . . . . . . . 63.6 m-80 -78.97 -21.36 47.23 Favored 'General case' 0 N--CA 1.455 -0.188 0 CA-C-N 116.111 -0.495 . . . . 74.14 111.078 178.162 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 131' ' ' ASN . . . . . 0.653 ' HB3' ' O ' ' B' ' 127' ' ' ALA . 6.6 t30 -100.97 -43.99 5.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 75.43 110.879 -177.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 132' ' ' VAL . . . . . 0.42 HG11 ' N ' ' B' ' 133' ' ' ALA . 13.4 t -112.09 161.75 10.54 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.279 0 CA-C-N 116.073 -0.512 . . . . 62.31 110.192 -174.186 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 133' ' ' ALA . . . . . 0.42 ' N ' HG11 ' B' ' 132' ' ' VAL . . . -91.68 81.33 5.28 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.92 0.866 . . . . 72.23 110.223 177.57 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 134' ' ' VAL . . . . . 0.728 HG21 ' HB ' ' B' ' 97' ' ' VAL . 97.2 t -103.61 112.17 36.07 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.723 0 CA-C-N 114.66 -1.155 . . . . 64.53 110.428 178.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 24.6 mmm180 -78.55 108.15 11.74 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.741 -0.663 . . . . 74.32 109.316 174.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 75.3 mt -78.19 122.2 25.35 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.859 -0.61 . . . . 72.41 110.454 179.361 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 137' ' ' VAL . . . . . 0.546 ' O ' ' HA ' ' B' ' 100' ' ' ARG . 0.3 OUTLIER -132.16 116.87 30.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.448 -0.796 . . . . 74.23 110.127 -179.546 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 138' ' ' VAL . . . . . 0.4 HG11 HG22 ' B' ' 115' ' ' VAL . 3.6 m -94.61 138.55 20.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.583 -0.735 . . . . 70.52 109.6 179.747 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 139' ' ' ALA . . . . . 0.481 ' HB1' ' HA ' ' B' ' 102' ' ' ALA . . . . . . . . 0 C--O 1.251 1.159 0 CA-C-O 118.47 -0.776 . . . . 71.35 110.771 -175.696 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.475 ' HE1' ' HB2' ' B' ' 94' ' ' ALA . 25.4 ptm . . . . . 0 N--CA 1.486 1.335 0 CA-C-O 120.994 0.426 . . . . 71.43 110.663 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.436 ' O ' ' HA3' ' B' ' 86' ' ' GLY . 41.2 t30 -89.36 84.43 6.45 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.65 -0.705 . . . . 75.52 109.584 -178.609 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.511 HG23 ' HB2' ' A' ' 6' ' ' LYS . 28.4 mm -75.33 133.64 30.96 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-N 115.944 -0.571 . . . . 51.02 112.131 -179.385 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.804 ' HG ' ' HD3' ' B' ' 87' ' ' PRO . 87.2 mt -91.75 -44.5 8.95 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 114.959 -1.019 . . . . 74.21 109.657 171.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 22.5 t80 -138.94 126.57 21.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.651 -0.704 . . . . 73.42 110.098 -176.092 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.511 ' HB2' HG23 ' A' ' 3' ' ' ILE . 30.5 ttmt -140.21 133.88 30.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.912 0.387 . . . . 62.42 110.408 176.522 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.523 HG22 ' OE1' ' B' ' 48' ' ' GLN . 11.1 t -131.02 167.18 19.49 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.657 -0.702 . . . . 73.02 109.545 177.178 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.458 ' HA ' ' HA ' ' B' ' 82' ' ' GLU . . . -135.78 149.67 49.21 Favored 'General case' 0 C--O 1.238 0.452 0 CA-C-O 121.288 0.566 . . . . 64.34 111.624 -174.336 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.405 ' CB ' ' HA ' ' A' ' 21' ' ' SER . . . -140.46 139.69 35.22 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.807 -0.633 . . . . 73.03 110.447 176.674 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 8.8 t -103.04 131.14 50.24 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.606 -0.516 . . . . 73.43 109.606 176.58 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 29.4 t -122.67 113.45 19.24 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.118 0.485 . . . . 74.42 110.718 -178.372 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.497 ' HB ' ' HB3' ' A' ' 18' ' ' ARG . 6.0 m -91.78 166.91 12.52 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.945 -0.571 . . . . 72.12 109.614 177.005 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -82.73 14.1 38.63 Favored Glycine 0 CA--C 1.523 0.584 0 C-N-CA 120.851 -0.69 . . . . 62.44 112.501 175.63 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 30.34 -129.63 0.14 Allowed Glycine 0 C--N 1.344 0.983 0 O-C-N 123.86 0.388 . . . . 62.02 112.889 -174.649 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 6.2 tmm_? -88.82 -36.2 16.18 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 107.488 -1.301 . . . . 73.04 107.488 163.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -126.07 -42.42 1.87 Allowed 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 115.951 -0.568 . . . . 74.22 110.858 170.332 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.431 ' O ' ' HG3' ' A' ' 29' ' ' LYS . . . -159.45 153.57 24.62 Favored Glycine 0 C--N 1.349 1.292 0 C-N-CA 120.763 -0.732 . . . . 73.12 111.565 169.051 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.505 ' HA ' ' HA ' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -150.0 128.55 12.28 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.599 -0.519 . . . . 73.24 109.599 -176.316 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -133.21 133.2 42.44 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 117.843 0.292 . . . . 71.12 111.302 -178.429 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 56.2 m -142.8 118.84 10.68 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.382 -0.372 . . . . 65.23 110.676 -178.777 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.424 ' CB ' ' HB3' ' A' ' 26' ' ' LEU . 28.4 t -81.53 118.63 22.9 Favored 'General case' 0 C--O 1.249 1.045 0 N-CA-C 108.857 -0.794 . . . . 62.3 108.857 175.864 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.443 ' C ' ' H ' ' A' ' 24' ' ' GLN . 13.2 t60 -50.9 -27.66 8.01 Favored 'General case' 0 N--CA 1.469 0.503 0 O-C-N 126.029 2.08 . . . . 71.44 113.219 -165.4 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.407 ' HB2' ' HE3' ' A' ' 25' ' ' LYS . 4.0 m-20 -80.02 22.15 0.53 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.957 0.408 . . . . 73.43 109.942 -176.452 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.443 ' H ' ' C ' ' A' ' 22' ' ' HIS . 29.0 mm-40 60.57 20.66 10.5 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 115.436 -0.802 . . . . 72.53 109.704 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.427 ' NZ ' ' OG1' ' A' ' 7' ' ' THR . 9.2 ptpp? -93.4 -20.4 20.36 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 116.015 -0.539 . . . . 73.44 109.869 -176.538 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.424 ' HB3' ' CB ' ' A' ' 21' ' ' SER . 61.3 tp -141.34 140.7 33.81 Favored 'General case' 0 C--N 1.342 0.273 0 C-N-CA 120.275 -0.57 . . . . 74.42 110.286 174.658 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -161.77 96.46 1.03 Allowed 'General case' 0 C--N 1.331 -0.234 0 O-C-N 123.528 0.517 . . . . 74.5 109.959 176.296 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 2.9 m -146.24 178.28 1.22 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.417 0 CA-C-O 121.304 0.574 . . . . 62.12 111.817 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.505 ' HA ' ' HA ' ' A' ' 18' ' ' ARG . 45.6 tttt -142.46 141.17 32.13 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 114.848 -1.069 . . . . 62.42 109.554 179.652 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.561 HD11 ' N ' ' A' ' 30' ' ' LEU . 0.0 OUTLIER -132.98 175.03 9.73 Favored 'General case' 0 C--O 1.258 1.527 0 CA-C-O 121.277 0.56 . . . . 73.21 112.079 -178.206 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.403 ' HB2' ' HB1' ' A' ' 41' ' ' ALA . 51.1 m -155.48 154.01 31.16 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 114.675 -1.148 . . . . 75.34 111.276 -179.177 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -75.01 147.85 83.99 Favored Pre-proline 0 CA--C 1.54 0.58 0 CA-C-N 116.059 -0.519 . . . . 52.21 111.603 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -61.82 141.68 90.95 Favored 'Trans proline' 0 C--N 1.356 0.925 0 C-N-CA 122.955 2.437 . . . . 73.33 112.298 -178.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.527 ' HB2' ' HA3' ' A' ' 40' ' ' GLY . 9.0 tpt180 -71.06 -35.59 71.98 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.226 -0.443 . . . . 64.52 111.608 -176.411 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -57.59 -24.81 58.36 Favored 'General case' 0 N--CA 1.466 0.348 0 N-CA-C 112.942 0.719 . . . . 75.14 112.942 -170.397 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.427 HD23 ' N ' ' A' ' 36' ' ' LEU . 1.2 mm? -99.73 19.88 15.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.978 0.418 . . . . 73.53 110.321 -179.096 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 86.33 30.28 22.62 Favored Glycine 0 N--CA 1.452 -0.272 0 CA-C-N 115.989 -0.551 . . . . 72.22 111.914 -176.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -98.91 -133.12 7.94 Favored Glycine 0 N--CA 1.453 -0.216 0 C-N-CA 121.314 -0.47 . . . . 73.44 112.398 -178.339 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -119.67 -26.93 5.59 Favored 'General case' 0 N--CA 1.465 0.307 0 N-CA-C 112.214 0.45 . . . . 63.22 112.214 -175.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.527 ' HA3' ' HB2' ' A' ' 34' ' ' ARG . . . 50.15 40.46 36.68 Favored Glycine 0 N--CA 1.461 0.358 0 C-N-CA 121.613 -0.327 . . . . 45.53 113.421 -173.212 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.403 ' HB1' ' HB2' ' A' ' 31' ' ' SER . . . -72.47 167.96 19.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.654 0.264 . . . . 51.12 110.658 179.432 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -83.47 37.98 0.6 Allowed 'General case' 0 CA--C 1.534 0.34 0 CA-C-O 121.25 0.548 . . . . 71.23 111.35 -177.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -106.49 -136.46 8.33 Favored Glycine 0 N--CA 1.452 -0.269 0 N-CA-C 111.071 -0.812 . . . . 55.55 111.071 177.099 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.473 ' OG1' ' HB3' ' A' ' 30' ' ' LEU . 82.2 p -129.53 167.48 17.83 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.783 -0.451 . . . . 74.01 109.783 176.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 11.9 m120 -100.91 138.53 20.05 Favored Pre-proline 0 C--N 1.328 -0.343 0 N-CA-C 109.876 -0.416 . . . . 72.33 109.876 179.551 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -55.66 -47.71 24.01 Favored 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 122.855 2.37 . . . . 63.04 112.435 -178.356 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.2 mp0 -63.6 -38.63 91.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.887 -0.597 . . . . 62.13 110.249 -179.468 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -66.75 -37.78 85.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.568 -0.742 . . . . 74.41 109.648 178.15 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.502 HD11 ' HA3' ' B' ' 53' ' ' GLY . 2.2 tm? -64.56 -49.53 70.85 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 115.809 -0.632 . . . . 71.11 109.586 -179.828 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 35.6 t80 -60.48 -45.07 95.08 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 116.235 -0.439 . . . . 65.21 110.383 177.121 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -51.97 -53.02 46.31 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.233 -0.44 . . . . 52.03 111.229 177.008 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.539 ' HB3' ' HB2' ' B' ' 19' ' ' ALA . . . -65.74 -46.3 79.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.78 -0.645 . . . . 73.32 111.186 -178.095 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.42 ' HA3' HD13 ' B' ' 49' ' ' LEU . . . -64.42 -39.83 97.25 Favored Glycine 0 C--O 1.225 -0.409 0 CA-C-N 115.826 -0.624 . . . . 45.35 112.362 -178.591 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.421 ' HH ' ' HB2' ' A' ' 123' ' ' PRO . 4.3 t80 -69.21 -47.53 64.58 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 122.702 0.401 . . . . 74.55 110.534 -179.276 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 27.8 p -60.21 -48.88 79.84 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.806 0.336 . . . . 73.1 110.227 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.439 ' HB2' HD23 ' B' ' 30' ' ' LEU . . . -61.58 -41.47 97.45 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.023 -0.535 . . . . 72.41 110.677 176.576 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 52.9 t -62.95 -36.26 82.88 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 115.977 -0.556 . . . . 74.4 110.356 179.311 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.49 ' HE2' ' HA ' ' A' ' 123' ' ' PRO . 27.5 t80 -67.64 -30.64 70.25 Favored 'General case' 0 N--CA 1.454 -0.225 0 CA-C-N 116.113 -0.494 . . . . 74.24 109.681 -178.069 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.462 HD21 HG21 ' A' ' 79' ' ' VAL . 96.1 mt -65.62 -51.43 59.71 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.905 -0.588 . . . . 74.12 109.768 175.2 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 15.5 m -57.79 -40.92 81.04 Favored 'General case' 0 C--O 1.237 0.418 0 CA-C-O 121.306 0.574 . . . . 74.4 110.401 176.717 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -61.48 -47.0 87.65 Favored 'General case' 0 C--O 1.223 -0.342 0 CA-C-N 115.699 -0.682 . . . . 64.15 110.054 177.623 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.94 -38.54 86.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.479 -0.328 . . . . 61.32 110.637 177.685 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 28.9 tptp -58.72 -50.95 72.02 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-N 115.964 -0.562 . . . . 62.32 110.312 178.285 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.424 ' CZ ' ' HE1' ' B' ' 93' ' ' PHE . 51.6 t80 -69.79 -46.39 65.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.898 -0.592 . . . . 70.35 111.115 -178.394 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 42.0 t -55.22 -44.53 75.33 Favored 'Isoleucine or valine' 0 C--O 1.238 0.451 0 CA-C-N 116.288 -0.415 . . . . 51.41 110.757 179.453 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -57.34 -31.9 66.19 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.143 -0.481 . . . . 55.45 110.224 177.741 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -72.79 -29.52 65.17 Favored Glycine 0 N--CA 1.452 -0.268 0 CA-C-N 115.488 -0.778 . . . . 65.01 112.521 -178.152 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -96.86 -11.67 24.51 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.286 0.565 . . . . 73.33 109.555 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 16.7 m-80 -100.98 3.83 41.93 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.276 -0.874 . . . . 73.35 110.518 175.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 34.4 mmtt 60.8 23.99 13.93 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 115.196 -0.911 . . . . 70.5 111.041 172.284 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -116.63 167.36 11.15 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.863 -0.608 . . . . 65.11 110.349 -178.602 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 15.7 p -131.51 124.72 30.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.831 0.348 . . . . 71.13 111.104 -179.401 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -109.55 140.45 22.14 Favored Pre-proline 0 C--N 1.324 -0.528 0 CA-C-N 115.636 -0.711 . . . . 64.52 110.144 177.891 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.414 ' HG2' ' O ' ' A' ' 104' ' ' PRO . 48.7 Cg_exo -57.47 126.76 22.95 Favored 'Trans proline' 0 C--N 1.348 0.537 0 C-N-CA 122.817 2.344 . . . . 75.32 112.441 -177.295 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -77.29 -1.78 31.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.225 0.536 . . . . 74.43 111.334 -179.331 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -85.76 14.61 5.66 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 121.607 0.717 . . . . 72.44 110.652 -178.72 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.474 ' HB ' HD21 ' A' ' 103' ' ' LEU . 6.8 t -88.62 168.28 12.67 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-N 115.692 -0.686 . . . . 74.0 112.111 -174.481 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 32.0 m -153.0 149.8 28.55 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 115.411 -0.813 . . . . 72.13 109.631 179.733 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.462 HG21 HD21 ' A' ' 59' ' ' LEU . 69.8 t -128.6 118.94 48.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 121.133 0.492 . . . . 73.54 109.945 176.04 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.488 ' HA ' ' HA ' ' B' ' 10' ' ' THR . 9.1 m -98.82 108.63 21.37 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 116.29 -0.414 . . . . 61.0 110.309 179.734 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -93.61 106.7 18.65 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.935 -0.575 . . . . 75.0 109.828 178.024 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.491 ' HG2' ' HD3' ' B' ' 6' ' ' LYS . 32.5 tt0 -109.84 108.71 19.12 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.401 -0.592 . . . . 75.53 109.401 -178.849 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.428 HG12 HG21 ' A' ' 97' ' ' VAL . 22.3 m -104.66 144.53 14.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 121.107 0.48 . . . . 74.25 111.229 -174.03 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -139.79 164.01 26.13 Favored Glycine 0 N--CA 1.441 -0.974 0 CA-C-N 115.51 -0.768 . . . . 64.22 111.762 179.531 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.422 HD13 ' CD2' ' A' ' 93' ' ' PHE . 0.0 OUTLIER -139.39 130.52 33.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 N-CA-C 109.272 -0.64 . . . . 71.32 109.272 -179.699 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . 0.423 ' HA2' ' HG ' ' B' ' 4' ' ' LEU . . . -144.19 169.89 26.15 Favored Glycine 0 CA--C 1.516 0.145 0 CA-C-N 115.398 -0.819 . . . . 64.2 111.119 179.058 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . 0.669 ' HD3' ' HG ' ' B' ' 4' ' ' LEU . 88.3 Cg_endo -81.84 141.84 12.28 Favored 'Trans proline' 0 N--CA 1.458 -0.564 0 C-N-CA 122.249 1.966 . . . . 75.13 111.752 -179.075 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . 0.499 ' HB3' ' HB1' ' A' ' 94' ' ' ALA . 31.0 p30 -101.16 165.66 11.18 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.324 -0.398 . . . . 63.43 110.224 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -68.41 -13.1 62.06 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 116.493 -0.322 . . . . 74.31 111.416 -176.714 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -73.72 -24.84 59.97 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-O 121.05 0.452 . . . . 62.35 110.258 175.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.14 17.26 16.45 Favored Glycine 0 C--N 1.33 0.208 0 CA-C-N 115.855 -0.611 . . . . 52.42 112.192 -179.567 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -121.34 -152.18 8.71 Favored Glycine 0 N--CA 1.45 -0.43 0 N-CA-C 111.225 -0.75 . . . . 74.12 111.225 177.516 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.422 ' CD2' HD13 ' A' ' 85' ' ' ILE . 39.5 m-85 -104.47 157.34 17.22 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.934 0.397 . . . . 72.25 110.64 179.268 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.499 ' HB1' ' HB3' ' A' ' 88' ' ' ASN . . . -143.21 135.07 26.74 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.789 -0.641 . . . . 73.43 109.38 177.789 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -100.72 137.5 39.03 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.108 0.48 . . . . 75.45 111.251 -175.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -121.37 115.32 22.7 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.095 -0.957 . . . . 62.1 109.255 178.507 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.428 HG21 HG12 ' A' ' 83' ' ' VAL . 49.6 t -115.29 110.71 32.89 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 CA-C-O 120.889 0.376 . . . . 41.42 110.665 -178.33 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -93.42 111.19 22.78 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.812 -0.44 . . . . 52.25 109.812 176.751 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 72.4 mt -97.76 106.4 18.7 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.279 -0.637 . . . . 73.33 109.279 175.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.526 ' HA ' ' O ' ' A' ' 137' ' ' VAL . 71.2 mtt180 -101.6 109.78 21.65 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.047 -0.524 . . . . 73.43 110.019 -177.277 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 39.1 t -99.44 100.06 9.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 116.196 -0.456 . . . . 72.23 110.314 -174.22 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -91.65 101.34 13.97 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.555 -0.535 . . . . 73.1 109.555 179.481 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.474 HD21 ' HB ' ' A' ' 77' ' ' THR . 7.1 mt -114.02 118.94 41.73 Favored Pre-proline 0 C--N 1.327 -0.411 0 CA-C-N 115.33 -0.85 . . . . 73.31 110.322 -176.529 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . 0.414 ' O ' ' HG2' ' A' ' 74' ' ' PRO . 84.4 Cg_endo -80.26 155.44 22.22 Favored 'Trans proline' 0 N--CA 1.458 -0.596 0 C-N-CA 122.73 2.287 . . . . 73.52 111.986 179.743 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 64.57 15.17 59.13 Favored Glycine 0 CA--C 1.523 0.55 0 CA-C-N 115.809 -0.632 . . . . 54.45 112.819 -179.464 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.45 HD23 ' HA ' ' A' ' 111' ' ' ALA . 28.1 tp -129.49 140.7 51.2 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 122.797 0.439 . . . . 65.03 110.286 -176.732 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -73.98 162.54 28.94 Favored 'General case' 0 CA--C 1.51 -0.579 0 CA-C-N 116.346 -0.388 . . . . 72.42 111.058 -179.752 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -65.43 -45.51 83.56 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.532 -0.758 . . . . 74.35 110.042 170.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -63.43 -48.88 75.95 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 115.664 -0.698 . . . . 64.13 110.842 -176.113 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . 0.575 ' O ' HG22 ' A' ' 113' ' ' THR . . . -67.28 -43.76 81.01 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.638 -0.71 . . . . 73.25 109.781 179.646 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . 0.45 ' HA ' HD23 ' A' ' 106' ' ' LEU . . . -54.61 -42.73 71.49 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 115.998 -0.546 . . . . 54.13 111.382 178.901 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 12.3 mmmm -53.42 -48.99 68.23 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 116.345 -0.389 . . . . 74.23 110.953 177.359 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' THR . . . . . 0.575 HG22 ' O ' ' A' ' 110' ' ' ALA . 1.0 OUTLIER -72.38 -33.42 67.2 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.153 -0.476 . . . . 74.22 110.878 -176.018 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.532 ' HG ' ' O ' ' A' ' 110' ' ' ALA . 43.8 mt -67.93 -48.73 65.12 Favored 'General case' 0 N--CA 1.462 0.139 0 CA-C-N 116.437 -0.347 . . . . 61.01 110.612 -179.212 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . 0.402 HG21 HG12 ' A' ' 138' ' ' VAL . 97.6 t -62.34 -37.05 77.7 Favored 'Isoleucine or valine' 0 C--O 1.242 0.684 0 CA-C-O 120.931 0.396 . . . . 72.22 110.116 177.739 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -59.05 -61.0 2.97 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 115.382 -0.826 . . . . 65.51 110.715 179.275 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 1.7 ptm180 -64.42 -35.33 80.55 Favored 'General case' 0 N--CA 1.456 -0.137 0 CA-C-N 116.02 -0.536 . . . . 65.24 110.549 -176.443 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -58.3 -48.91 78.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.043 -0.526 . . . . 63.41 110.497 177.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 63.7 m80 -76.16 -11.44 59.93 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 116.283 -0.417 . . . . 74.13 111.232 178.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 19.2 t-80 -87.32 -32.91 19.4 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.195 -0.457 . . . . 75.14 110.864 179.372 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . 0.459 HG22 ' N ' ' A' ' 122' ' ' CYS . 28.0 m -89.99 -52.76 10.19 Favored 'Isoleucine or valine' 0 C--O 1.234 0.264 0 CA-C-N 116.607 -0.269 . . . . 74.54 111.342 -178.64 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' CYS . . . . . 0.459 ' N ' HG22 ' A' ' 121' ' ' VAL . 11.8 p -156.62 88.72 2.73 Favored Pre-proline 0 CA--C 1.533 0.325 0 O-C-N 122.306 -0.246 . . . . 72.12 111.63 -178.799 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . 0.49 ' HA ' ' HE2' ' A' ' 58' ' ' PHE . 73.2 Cg_endo -80.98 -53.81 0.04 OUTLIER 'Trans proline' 0 CA--C 1.537 0.631 0 C-N-CA 122.328 2.019 . . . . 75.04 112.022 173.845 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER 177.04 -41.73 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.265 0 N-CA-C 106.662 -1.607 . . . . 65.44 106.662 178.396 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' SER . . . . . 0.562 ' O ' HG21 ' A' ' 128' ' ' THR . 57.4 p -159.44 144.91 15.85 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 114.042 -1.435 . . . . 65.33 107.977 168.437 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 66.5 t30 -60.55 -31.8 70.89 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.604 0.716 . . . . 73.42 109.836 -179.324 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . 0.622 ' O ' ' HB3' ' A' ' 131' ' ' ASN . . . -81.25 6.7 13.29 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.033 -0.985 . . . . 54.1 112.066 -178.872 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' THR . . . . . 0.562 HG21 ' O ' ' A' ' 125' ' ' SER . 1.7 t -96.06 -11.22 26.72 Favored 'General case' 0 N--CA 1.465 0.276 0 N-CA-C 108.841 -0.8 . . . . 73.21 108.841 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . 0.41 ' HG3' ' N ' ' A' ' 130' ' ' ASN . 14.4 ptt180 -119.88 -40.96 2.69 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 115.283 -0.871 . . . . 72.04 110.873 -176.653 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' ASN . . . . . 0.41 ' N ' ' HG3' ' A' ' 129' ' ' ARG . 53.0 m-80 -78.2 -52.36 8.8 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 121.159 0.504 . . . . 71.52 110.652 177.646 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . 0.622 ' HB3' ' O ' ' A' ' 127' ' ' ALA . 60.1 t30 -68.42 -43.83 76.3 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 115.665 -0.698 . . . . 72.12 110.763 -177.777 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 29.5 t -97.12 133.21 39.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.803 -0.635 . . . . 70.22 110.108 -178.131 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -71.5 90.66 1.0 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.459 0.647 . . . . 45.42 110.85 -178.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 48.4 t -110.82 112.29 39.9 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.589 0 CA-C-N 115.181 -0.918 . . . . 75.02 110.678 178.546 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 15.4 ttp180 -85.16 109.1 18.04 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.057 -0.974 . . . . 74.34 110.215 178.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 73.8 mt -81.11 120.92 25.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.721 -0.672 . . . . 50.04 110.689 178.323 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . 0.526 ' O ' ' HA ' ' A' ' 100' ' ' ARG . 0.1 OUTLIER -132.84 125.38 52.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.434 -0.803 . . . . 74.42 110.016 -178.036 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . 0.402 HG12 HG21 ' A' ' 115' ' ' VAL . 5.4 m -97.7 139.19 20.52 Favored 'Isoleucine or valine' 0 C--O 1.236 0.372 0 CA-C-O 121.455 0.645 . . . . 71.15 110.854 -178.275 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.314 -0.942 0 CA-C-N 115.169 -0.923 . . . . 73.13 110.788 -174.863 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 17.3 ptt? . . . . . 0 C--O 1.234 0.266 0 CA-C-O 120.778 0.323 . . . . 72.42 110.935 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 65.8 t30 -80.86 73.12 7.87 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-O 121.197 0.522 . . . . 61.35 110.623 -179.634 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . 0.426 HG23 ' HB2' ' B' ' 6' ' ' LYS . 31.5 mm -61.14 126.27 18.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.517 -0.765 . . . . 72.42 111.672 176.342 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . 0.669 ' HG ' ' HD3' ' A' ' 87' ' ' PRO . 92.6 mt -79.26 -48.77 13.58 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.63 -0.713 . . . . 75.25 110.377 176.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 5' ' ' TYR . . . . . . . . . . . . . 46.8 t80 -136.19 132.05 35.41 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.263 -0.426 . . . . 75.45 110.067 -176.041 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . 0.491 ' HD3' ' HG2' ' A' ' 82' ' ' GLU . 30.3 ttmt -140.22 134.77 31.58 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.017 0.437 . . . . 65.01 110.961 177.43 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 5.2 t -131.55 155.14 48.0 Favored 'General case' 0 C--O 1.238 0.453 0 CA-C-N 115.457 -0.792 . . . . 73.02 109.239 177.399 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . 0.472 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . . . -121.94 147.53 45.91 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.025 0.441 . . . . 64.22 111.186 -173.698 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -141.76 118.93 11.35 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.812 -0.631 . . . . 71.2 109.473 176.471 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 10' ' ' THR . . . . . 0.488 ' HA ' ' HA ' ' A' ' 80' ' ' THR . 9.5 t -96.43 137.91 34.81 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.997 -0.547 . . . . 64.31 109.727 -177.791 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 76.0 p -124.69 113.42 17.96 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.998 0.428 . . . . 74.14 110.39 -178.748 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 4.9 m -98.82 157.6 16.18 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.005 0.431 . . . . 73.24 110.497 -179.053 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -81.72 74.86 2.4 Favored Glycine 0 N--CA 1.447 -0.614 0 N-CA-C 111.055 -0.818 . . . . 71.12 111.055 174.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -55.67 -104.77 0.01 OUTLIER Glycine 0 C--N 1.338 0.663 0 C-N-CA 121.465 -0.398 . . . . 73.4 112.455 179.279 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 15.4 mmm180 -88.98 -50.12 6.37 Favored 'General case' 0 C--N 1.328 -0.333 0 O-C-N 122.355 -0.497 . . . . 65.14 110.089 170.452 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 16' ' ' ASP . . . . . 0.524 ' HB3' ' HA ' ' B' ' 31' ' ' SER . 13.8 t70 -125.76 -42.65 1.9 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.754 -0.657 . . . . 65.33 109.331 176.085 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 17' ' ' GLY . . . . . 0.453 ' O ' ' HG3' ' B' ' 29' ' ' LYS . . . -162.17 154.08 24.94 Favored Glycine 0 C--N 1.339 0.729 0 C-N-CA 120.823 -0.703 . . . . 74.22 111.859 167.288 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 18' ' ' ARG . . . . . 0.624 ' HA ' ' HA ' ' B' ' 29' ' ' LYS . 41.5 ttm180 -132.89 146.9 52.21 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.508 -0.553 . . . . 74.4 109.508 175.336 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 19' ' ' ALA . . . . . 0.539 ' HB2' ' HB3' ' A' ' 52' ' ' ALA . . . -133.28 123.77 26.1 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.746 -0.465 . . . . 64.31 109.746 177.055 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 27.8 m -134.2 114.98 13.65 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.367 -0.379 . . . . 75.11 110.719 -174.354 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 21' ' ' SER . . . . . 0.549 ' HB3' ' N ' ' B' ' 26' ' ' LEU . 34.6 t -71.04 113.05 7.68 Favored 'General case' 0 C--O 1.248 0.996 0 N-CA-C 107.968 -1.123 . . . . 74.21 107.968 176.177 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 22' ' ' HIS . . . . . . . . . . . . . 53.5 t-80 -60.03 -15.91 26.68 Favored 'General case' 0 N--CA 1.471 0.581 0 O-C-N 126.159 2.162 . . . . 73.12 112.459 -167.454 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -80.53 11.59 3.63 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 110.08 -0.341 . . . . 63.54 110.08 175.314 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 31.2 mm-40 67.98 18.07 9.54 Favored 'General case' 0 C--N 1.342 0.261 0 CA-C-N 115.41 -0.814 . . . . 71.43 109.822 -178.63 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 34.1 mmtp -87.92 -20.05 26.47 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 115.224 -0.898 . . . . 41.25 110.92 -178.104 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . 0.549 ' N ' ' HB3' ' B' ' 21' ' ' SER . 54.9 tp -146.97 144.22 29.03 Favored 'General case' 0 CA--C 1.515 -0.381 0 C-N-CA 119.643 -0.823 . . . . 73.34 110.966 176.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -156.83 90.99 1.18 Allowed 'General case' 0 C--N 1.327 -0.38 0 O-C-N 123.591 0.557 . . . . 53.33 109.544 175.088 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 5.8 m -136.03 178.07 5.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.879 -0.6 . . . . 74.12 110.699 -179.191 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.624 ' HA ' ' HA ' ' B' ' 18' ' ' ARG . 7.6 ttpp -142.09 140.14 32.43 Favored 'General case' 0 C--N 1.319 -0.717 0 CA-C-N 115.778 -0.646 . . . . 74.12 110.333 -175.194 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . 0.651 ' HA ' ' H ' ' B' ' 44' ' ' THR . 0.0 OUTLIER -124.05 170.44 10.66 Favored 'General case' 0 C--O 1.248 1.013 0 CA-C-O 121.109 0.48 . . . . 72.32 111.078 179.112 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 31' ' ' SER . . . . . 0.524 ' HA ' ' HB3' ' B' ' 16' ' ' ASP . 50.3 m -152.6 133.58 14.12 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 115.412 -0.813 . . . . 62.35 110.804 -176.187 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.88 141.93 95.09 Favored Pre-proline 0 C--O 1.244 0.763 0 CA-C-N 116.045 -0.525 . . . . 75.13 110.149 176.649 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 33' ' ' PRO . . . . . 0.502 ' HG3' ' ND2' ' B' ' 45' ' ' ASN . 64.5 Cg_exo -51.85 113.51 1.2 Allowed 'Trans proline' 0 C--N 1.348 0.539 0 C-N-CA 122.723 2.282 . . . . 72.21 112.37 -179.223 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 34' ' ' ARG . . . . . 0.58 ' HB2' ' HA3' ' B' ' 40' ' ' GLY . 0.0 OUTLIER -51.6 -32.58 29.31 Favored 'General case' 0 N--CA 1.445 -0.689 0 C-N-CA 123.134 0.574 . . . . 71.43 110.59 177.267 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 7.5 mp0 -52.02 -43.19 63.58 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.559 -0.746 . . . . 72.42 111.219 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . 0.414 HD12 HD11 ' B' ' 85' ' ' ILE . 20.1 mt -89.25 -35.69 16.03 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.286 -0.87 . . . . 63.52 110.863 -173.16 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 151.61 38.71 0.03 OUTLIER Glycine 0 C--N 1.33 0.201 0 C-N-CA 121.026 -0.607 . . . . 51.22 112.463 178.506 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -113.17 -137.91 6.95 Favored Glycine 0 N--CA 1.446 -0.681 0 C-N-CA 120.831 -0.7 . . . . 64.12 111.494 -177.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 39' ' ' ALA . . . . . 0.44 ' C ' ' HG2' ' B' ' 34' ' ' ARG . . . -119.09 -17.34 8.99 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 111.527 0.195 . . . . 71.25 111.527 -177.631 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 40' ' ' GLY . . . . . 0.58 ' HA3' ' HB2' ' B' ' 34' ' ' ARG . . . 46.36 33.09 5.6 Favored Glycine 0 C--N 1.34 0.779 0 CA-C-O 121.763 0.646 . . . . 53.13 111.514 -174.539 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . 0.413 ' HB1' ' OG ' ' B' ' 31' ' ' SER . . . -83.84 -166.83 1.51 Allowed 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 114.294 -0.953 . . . . 75.21 112.368 -171.718 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . 0.536 ' HB2' ' HZ1' ' B' ' 29' ' ' LYS . 26.3 mt-10 -72.28 74.7 0.99 Allowed 'General case' 0 CA--C 1.514 -0.412 0 CA-C-N 114.955 -1.021 . . . . 74.14 110.052 178.805 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -161.92 -171.91 28.64 Favored Glycine 0 C--N 1.308 -0.974 0 CA-C-N 114.753 -1.112 . . . . 72.12 113.488 178.737 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 44' ' ' THR . . . . . 0.651 ' H ' ' HA ' ' B' ' 30' ' ' LEU . 9.5 t -115.3 171.86 7.43 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 123.072 0.549 . . . . 70.51 109.848 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 45' ' ' ASN . . . . . 0.502 ' ND2' ' HG3' ' B' ' 33' ' ' PRO . 17.1 m120 -74.88 117.5 63.08 Favored Pre-proline 0 C--N 1.33 -0.253 0 N-CA-C 110.184 -0.302 . . . . 71.14 110.184 178.18 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 46' ' ' PRO . . . . . . . . . . . . . 75.7 Cg_exo -51.98 -41.05 66.03 Favored 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 122.572 2.182 . . . . 54.41 111.375 173.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 47' ' ' GLU . . . . . 0.423 ' CD ' ' H ' ' B' ' 47' ' ' GLU . 2.8 mp0 -56.0 -50.84 69.73 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-O 121.74 0.781 . . . . 73.03 109.268 176.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . 0.523 ' OE1' HG22 ' A' ' 7' ' ' THR . 15.7 tp60 -69.04 -30.79 69.21 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 114.76 -1.109 . . . . 65.22 110.68 -177.084 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 49' ' ' LEU . . . . . 0.42 HD13 ' HA3' ' A' ' 53' ' ' GLY . 2.1 tm? -63.45 -53.91 44.75 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.312 -0.625 . . . . 73.15 109.312 179.63 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 40.1 t80 -58.85 -46.08 88.58 Favored 'General case' 0 C--O 1.226 -0.161 0 CA-C-N 116.472 -0.331 . . . . 74.53 110.213 176.307 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . 0.523 ' HB3' HG12 ' B' ' 83' ' ' VAL . . . -53.94 -52.65 59.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.163 -0.471 . . . . 63.22 111.63 -179.825 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -66.21 -46.86 75.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.007 -0.542 . . . . 74.31 110.728 -176.753 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . 0.502 ' HA3' HD11 ' A' ' 49' ' ' LEU . . . -62.73 -34.9 91.01 Favored Glycine 0 C--N 1.333 0.384 0 C-N-CA 121.027 -0.606 . . . . 73.22 111.895 179.26 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 54' ' ' TYR . . . . . 0.458 ' HH ' ' HA ' ' B' ' 125' ' ' SER . 2.6 t80 -69.91 -41.34 74.8 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 122.683 0.393 . . . . 73.43 110.166 177.705 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 55' ' ' SER . . . . . 0.508 ' OG ' ' HB3' ' B' ' 81' ' ' ALA . 48.9 m -61.89 -49.16 77.3 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.904 -0.406 . . . . 71.55 109.904 177.702 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 56' ' ' ALA . . . . . 0.504 ' HB1' HD21 ' A' ' 30' ' ' LEU . . . -62.52 -39.13 92.54 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.025 -0.534 . . . . 72.32 110.55 177.56 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 57' ' ' CYS . . . . . . . . . . . . . 41.9 t -61.86 -36.47 81.33 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.872 -0.604 . . . . 72.4 109.957 175.476 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 21.9 t80 -62.75 -39.8 95.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.723 -0.671 . . . . 61.11 110.152 -177.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -64.52 -41.22 96.53 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 116.058 -0.519 . . . . 73.31 110.444 176.159 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 60' ' ' SER . . . . . 0.429 ' O ' ' HB3' ' B' ' 63' ' ' LYS . 16.5 t -67.33 -42.3 83.83 Favored 'General case' 0 C--O 1.239 0.539 0 CA-C-O 121.25 0.548 . . . . 73.23 110.384 -179.444 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . 0.443 ' O ' HG23 ' B' ' 65' ' ' VAL . . . -60.86 -49.23 78.33 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.076 -0.511 . . . . 44.1 110.014 177.293 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 62' ' ' MET . . . . . 0.471 ' HA ' ' HB ' ' B' ' 65' ' ' VAL . 87.0 mmm -66.84 -27.08 67.26 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.225 -0.443 . . . . 71.0 110.599 177.792 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . 0.429 ' HB3' ' O ' ' B' ' 60' ' ' SER . 19.9 tptm -60.41 -48.9 79.77 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.009 -0.737 . . . . 72.03 109.009 175.776 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 47.1 t80 -69.79 -43.72 71.54 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 115.34 -0.846 . . . . 73.11 110.809 177.12 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . 0.471 ' HB ' ' HA ' ' B' ' 62' ' ' MET . 40.1 t -56.47 -45.45 81.94 Favored 'Isoleucine or valine' 0 C--O 1.233 0.234 0 CA-C-N 116.06 -0.518 . . . . 75.05 111.032 -178.693 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 66' ' ' ALA . . . . . 0.414 ' HA ' ' HG3' ' B' ' 71' ' ' GLN . . . -59.08 -32.43 69.79 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.239 0.542 . . . . 74.13 110.237 179.098 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -72.56 -25.17 74.83 Favored Glycine 0 N--CA 1.451 -0.323 0 CA-C-N 115.369 -0.832 . . . . 75.04 112.625 -176.643 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -98.97 -21.49 16.22 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 121.053 0.454 . . . . 64.5 109.8 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 18.8 m-80 -93.76 1.01 56.61 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.712 -0.676 . . . . 65.21 111.142 -178.376 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 70' ' ' LYS . . . . . 0.408 ' HD3' ' N ' ' B' ' 70' ' ' LYS . 21.9 mmtm 65.55 24.14 11.78 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 115.624 -0.717 . . . . 73.12 111.13 172.256 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . 0.414 ' HG3' ' HA ' ' B' ' 66' ' ' ALA . 2.8 pt20 -114.17 167.74 10.42 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.616 -0.72 . . . . 74.24 110.374 -179.524 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 21.4 p -128.19 132.22 48.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 74.12 110.939 -176.711 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . 0.435 ' HA ' ' HD3' ' B' ' 74' ' ' PRO . 87.1 mt -109.58 139.61 21.34 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 75.15 110.857 -177.608 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 74' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' B' ' 73' ' ' LEU . 19.1 Cg_exo -67.47 132.52 27.5 Favored 'Trans proline' 0 C--N 1.349 0.587 0 C-N-CA 122.999 2.466 . . . . 74.32 111.751 176.478 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -76.77 -1.56 28.72 Favored 'General case' 0 N--CA 1.465 0.308 0 N-CA-C 112.063 0.394 . . . . 71.53 112.063 -176.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -92.14 3.95 54.22 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-O 121.358 0.599 . . . . 60.22 110.973 -178.501 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 77' ' ' THR . . . . . 0.501 ' HB ' HD21 ' B' ' 103' ' ' LEU . 5.3 t -72.78 152.56 41.53 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-N 116.185 -0.461 . . . . 73.25 111.426 -177.346 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 2.6 p -140.08 154.17 46.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.791 -0.64 . . . . 71.23 110.889 178.534 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 74.2 t -131.12 119.06 43.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 115.583 -0.735 . . . . 54.24 109.338 175.528 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 80' ' ' THR . . . . . 0.482 ' HB ' ' HB3' ' B' ' 100' ' ' ARG . 4.4 m -98.68 109.72 22.44 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.94 -0.573 . . . . 75.2 110.243 -178.412 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 81' ' ' ALA . . . . . 0.508 ' HB3' ' OG ' ' B' ' 55' ' ' SER . . . -93.34 104.58 16.73 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.156 -0.475 . . . . 73.43 110.112 178.792 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 82' ' ' GLU . . . . . 0.458 ' HA ' ' HA ' ' A' ' 8' ' ' ALA . 34.3 tt0 -107.31 107.69 18.72 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.195 -0.669 . . . . 71.23 109.195 179.386 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . 0.523 HG12 ' HB3' ' B' ' 51' ' ' ALA . 23.9 m -107.88 141.72 22.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 121.011 0.434 . . . . 71.44 111.322 -173.889 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 84' ' ' GLY . . . . . 0.424 ' HA2' ' HA ' ' A' ' 6' ' ' LYS . . . -138.38 165.43 25.49 Favored Glycine 0 N--CA 1.441 -1.014 0 CA-C-N 115.699 -0.682 . . . . 52.45 111.586 179.48 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 85' ' ' ILE . . . . . 0.414 HD11 HD12 ' B' ' 36' ' ' LEU . 0.0 OUTLIER -146.43 136.37 17.53 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.809 0 N-CA-C 109.411 -0.589 . . . . 73.1 109.411 -179.915 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 86' ' ' GLY . . . . . 0.476 ' HA2' ' HG ' ' A' ' 4' ' ' LEU . . . -148.45 170.02 29.0 Favored Glycine 0 C--N 1.328 0.089 0 O-C-N 123.659 0.6 . . . . 52.3 111.962 -178.548 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 87' ' ' PRO . . . . . 0.804 ' HD3' ' HG ' ' A' ' 4' ' ' LEU . 7.6 Cg_exo -69.86 117.28 5.0 Favored 'Trans proline' 0 N--CA 1.459 -0.511 0 C-N-CA 122.583 2.188 . . . . 70.05 110.766 -178.406 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 88' ' ' ASN . . . . . . . . . . . . . 50.3 t-20 -71.96 137.64 47.47 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 109.069 -0.715 . . . . 72.3 109.069 178.783 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -65.26 -11.56 42.59 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.236 0.541 . . . . 71.21 110.669 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -67.15 -22.11 65.79 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 115.476 -0.783 . . . . 74.05 110.468 171.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.59 34.82 3.46 Favored Glycine 0 C--N 1.329 0.171 0 CA-C-N 115.675 -0.693 . . . . 72.2 112.005 -177.488 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . -151.49 -133.72 2.05 Favored Glycine 0 N--CA 1.452 -0.275 0 N-CA-C 111.275 -0.73 . . . . 70.13 111.275 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 93' ' ' PHE . . . . . 0.424 ' HE1' ' CZ ' ' A' ' 64' ' ' PHE . 39.7 m-85 -127.51 148.04 50.32 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 117.105 0.452 . . . . 73.12 110.394 179.621 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 94' ' ' ALA . . . . . 0.475 ' HB2' ' HE1' ' A' ' 1' ' ' MET . . . -132.71 136.49 46.44 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.873 -0.603 . . . . 62.21 109.798 -179.35 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -99.82 123.66 44.31 Favored 'General case' 0 C--N 1.331 -0.214 0 O-C-N 123.675 0.61 . . . . 74.21 110.533 -178.74 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 96' ' ' ASP . . . . . 0.446 ' HB2' ' SD ' ' A' ' 1' ' ' MET . 37.2 t70 -110.16 110.28 21.09 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.477 -0.783 . . . . 73.53 109.37 178.685 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 97' ' ' VAL . . . . . 0.818 ' HB ' HG21 ' B' ' 134' ' ' VAL . 57.3 t -112.98 110.8 33.53 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.883 0 CA-C-O 120.577 0.227 . . . . 65.34 111.127 -176.244 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 98' ' ' GLU . . . . . 0.549 ' HG2' ' HB3' ' B' ' 135' ' ' ARG . 43.8 mt-10 -96.5 107.16 19.52 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 110.091 -0.337 . . . . 74.42 110.091 177.314 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 76.9 mt -94.46 108.13 20.07 Favored 'General case' 0 C--O 1.236 0.342 0 CA-C-N 116.244 -0.435 . . . . 75.14 110.091 179.354 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 100' ' ' ARG . . . . . 0.528 ' HA ' ' O ' ' B' ' 137' ' ' VAL . 34.9 ttt-85 -99.46 118.03 35.17 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.736 -0.665 . . . . 70.24 110.149 -176.253 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 101' ' ' VAL . . . . . . . . . . . . . 98.1 t -106.75 109.68 28.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.263 -0.426 . . . . 60.12 111.18 -175.692 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 102' ' ' ALA . . . . . 0.504 ' HA ' ' HB1' ' B' ' 139' ' ' ALA . . . -105.48 101.05 10.6 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.981 0.419 . . . . 53.32 109.961 175.023 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 103' ' ' LEU . . . . . 0.627 ' HB3' HD23 ' B' ' 106' ' ' LEU . 2.7 tm? -111.58 115.12 51.93 Favored Pre-proline 0 C--N 1.328 -0.363 0 N-CA-C 107.971 -1.122 . . . . 72.24 107.971 177.879 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 104' ' ' PRO . . . . . 0.479 ' HD2' HD21 ' B' ' 103' ' ' LEU . 38.8 Cg_endo -69.19 145.01 59.05 Favored 'Trans proline' 0 N--CA 1.46 -0.443 0 C-N-CA 122.199 1.932 . . . . 74.24 112.856 -174.628 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 105' ' ' GLY . . . . . . . . . . . . . . . 73.82 15.13 79.63 Favored Glycine 0 CA--C 1.519 0.295 0 CA-C-N 115.366 -0.834 . . . . 72.34 112.139 -178.234 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 106' ' ' LEU . . . . . 0.627 HD23 ' HB3' ' B' ' 103' ' ' LEU . 42.8 tp -124.53 140.77 52.63 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-O 120.769 0.319 . . . . 65.44 111.054 -176.728 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -79.24 165.04 23.66 Favored 'General case' 0 CA--C 1.512 -0.483 0 CA-C-N 115.948 -0.569 . . . . 63.12 110.804 -179.505 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 108' ' ' ALA . . . . . 0.573 ' O ' ' HG3' ' B' ' 112' ' ' LYS . . . -65.71 -46.55 78.53 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.876 -0.602 . . . . 74.55 109.437 169.635 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -56.64 -51.19 69.64 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 115.564 -0.744 . . . . 64.51 111.273 -176.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 110' ' ' ALA . . . . . 0.478 ' O ' HG21 ' B' ' 113' ' ' THR . . . -71.51 -42.52 67.9 Favored 'General case' 0 C--O 1.238 0.49 0 CA-C-N 115.957 -0.565 . . . . 72.03 110.4 -179.489 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 111' ' ' ALA . . . . . 0.43 ' HA ' HD22 ' B' ' 106' ' ' LEU . . . -54.59 -37.39 65.48 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.059 -0.519 . . . . 64.14 111.108 178.872 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 112' ' ' LYS . . . . . 0.573 ' HG3' ' O ' ' B' ' 108' ' ' ALA . 29.2 mtpp -53.1 -49.32 66.69 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.483 -0.326 . . . . 74.45 110.947 178.094 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 113' ' ' THR . . . . . 0.478 HG21 ' O ' ' B' ' 110' ' ' ALA . 1.2 t -74.5 -36.22 63.24 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.351 -0.386 . . . . 72.03 110.615 -176.479 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 48.2 mt -65.6 -46.3 79.88 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 120.849 0.356 . . . . 72.05 110.616 -179.231 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 115' ' ' VAL . . . . . 0.403 HG22 ' O ' ' B' ' 111' ' ' ALA . 86.1 t -66.09 -33.65 64.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.023 -0.535 . . . . 63.55 110.146 177.504 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 23.7 t0 -63.18 -56.74 14.16 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 115.93 -0.577 . . . . 75.43 111.047 178.732 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 117' ' ' ARG . . . . . 0.432 ' HG2' ' O ' ' B' ' 113' ' ' THR . 14.7 ptm180 -64.93 -35.02 79.83 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-O 121.178 0.513 . . . . 70.2 110.4 -177.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -61.59 -36.47 80.77 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.674 -0.694 . . . . 61.11 109.818 174.469 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 119' ' ' HIS . . . . . 0.662 ' HA ' ' HB2' ' B' ' 125' ' ' SER . 19.5 m-70 -81.73 13.77 3.01 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 116.061 -0.518 . . . . 74.31 112.137 174.331 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 67.4 m170 -106.66 -50.95 3.02 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-O 120.983 0.421 . . . . 73.32 110.807 174.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 32.0 m -84.81 27.53 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.491 0 N-CA-C 113.504 0.927 . . . . 73.14 113.504 -168.114 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 122' ' ' CYS . . . . . 0.487 ' HB2' ' OG ' ' B' ' 125' ' ' SER . 84.7 m -144.26 139.79 16.15 Favored Pre-proline 0 CA--C 1.534 0.362 0 O-C-N 122.221 -0.3 . . . . 74.53 110.776 179.272 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 123' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_endo -61.22 -43.3 29.78 Favored 'Trans proline' 0 C--N 1.352 0.76 0 C-N-CA 122.752 2.301 . . . . 65.25 111.886 -179.487 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 124' ' ' TYR . . . . . . . . . . . . . 55.7 m-85 -57.64 -41.59 81.73 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 121.27 0.557 . . . . 65.35 110.395 178.517 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 125' ' ' SER . . . . . 0.662 ' HB2' ' HA ' ' B' ' 119' ' ' HIS . 45.3 p -80.51 -30.45 37.26 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.708 -0.678 . . . . 64.23 111.973 -172.236 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 126' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 -62.03 -48.55 79.78 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-O 121.284 0.564 . . . . 74.24 109.859 175.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 127' ' ' ALA . . . . . 0.564 ' O ' ' HB3' ' B' ' 131' ' ' ASN . . . -73.33 -14.53 61.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.304 -0.862 . . . . 74.33 112.005 -177.104 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 128' ' ' THR . . . . . 0.501 ' HG1' HG22 ' B' ' 134' ' ' VAL . 1.4 t -95.74 -12.37 25.53 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.149 -0.685 . . . . 64.4 109.149 -170.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 129' ' ' ARG . . . . . 0.458 ' HG2' ' O ' ' B' ' 125' ' ' SER . 14.8 ptm180 -112.14 -46.62 3.18 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 115.594 -0.73 . . . . 75.21 110.603 -176.007 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 130' ' ' ASN . . . . . . . . . . . . . 53.3 m-80 -78.82 -39.84 34.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.149 0.5 . . . . 74.14 111.322 179.072 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 131' ' ' ASN . . . . . 0.564 ' HB3' ' O ' ' B' ' 127' ' ' ALA . 0.2 OUTLIER -94.68 -38.77 10.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.775 -0.648 . . . . 75.43 111.148 -172.371 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 132' ' ' VAL . . . . . 0.408 HG21 ' O ' ' B' ' 127' ' ' ALA . 47.4 t -112.4 153.84 13.97 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.426 0 CA-C-O 120.723 0.297 . . . . 62.31 111.235 -172.363 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 133' ' ' ALA . . . . . . . . . . . . . . . -84.96 95.2 8.98 Favored 'General case' 0 C--O 1.239 0.5 0 CA-C-O 121.57 0.7 . . . . 72.23 110.937 -179.756 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 134' ' ' VAL . . . . . 0.818 HG21 ' HB ' ' B' ' 97' ' ' VAL . 77.2 t -125.33 113.53 35.73 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.469 0 CA-C-N 115.182 -0.917 . . . . 64.53 111.196 -177.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 135' ' ' ARG . . . . . 0.549 ' HB3' ' HG2' ' B' ' 98' ' ' GLU . 17.4 tpt180 -74.33 110.95 9.04 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.389 -0.823 . . . . 74.32 109.862 175.383 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 136' ' ' LEU . . . . . 0.406 HD22 ' HA ' ' B' ' 136' ' ' LEU . 40.5 mt -81.62 109.44 16.06 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.05 0.452 . . . . 72.41 110.193 175.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 137' ' ' VAL . . . . . 0.528 ' O ' ' HA ' ' B' ' 100' ' ' ARG . 0.2 OUTLIER -119.53 116.36 50.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.626 -0.715 . . . . 74.23 110.04 -179.006 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 138' ' ' VAL . . . . . . . . . . . . . 4.2 m -99.17 138.62 23.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.999 -0.546 . . . . 70.52 109.635 179.314 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 139' ' ' ALA . . . . . 0.504 ' HB1' ' HA ' ' B' ' 102' ' ' ALA . . . . . . . . 0 C--O 1.251 1.158 0 CA-C-N 115.775 -0.648 . . . . 71.35 110.419 -175.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.0 ptt? . . . . . 0 N--CA 1.481 1.105 0 N-CA-C 110.337 -0.246 . . . . 71.43 110.337 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 41.4 t30 -76.36 74.36 3.13 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-O 121.335 0.588 . . . . 75.52 110.436 177.373 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.497 HG23 ' HB2' ' A' ' 6' ' ' LYS . 30.8 mm -70.74 131.7 34.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.48 -0.782 . . . . 51.02 111.114 174.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.707 ' HG ' ' HD3' ' B' ' 87' ' ' PRO . 88.9 mt -86.62 -43.45 12.64 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.931 -0.577 . . . . 74.21 110.122 176.068 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 43.6 t80 -138.31 130.06 28.07 Favored 'General case' 0 C--O 1.222 -0.366 0 CA-C-N 115.934 -0.576 . . . . 73.42 110.112 -177.366 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.497 ' HB2' HG23 ' A' ' 3' ' ' ILE . 28.4 ttmt -143.6 130.7 20.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.772 0.32 . . . . 62.42 111.108 177.456 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 9.3 t -125.46 148.8 48.7 Favored 'General case' 0 C--O 1.238 0.453 0 CA-C-N 115.843 -0.617 . . . . 73.02 109.89 179.281 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.467 ' HB3' ' HB3' ' A' ' 22' ' ' HIS . . . -110.9 155.59 22.41 Favored 'General case' 0 C--O 1.238 0.455 0 CA-C-O 121.237 0.541 . . . . 64.34 112.076 -176.182 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.579 ' HA ' ' HA ' ' A' ' 21' ' ' SER . . . -153.5 116.97 4.65 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.226 -0.897 . . . . 73.03 109.662 176.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.524 ' HA ' ' HA ' ' B' ' 80' ' ' THR . 14.4 t -102.63 142.89 33.04 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.833 -0.432 . . . . 73.43 109.833 -179.249 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.43 ' HA ' ' O ' ' A' ' 18' ' ' ARG . 23.3 p -127.84 113.78 16.37 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.157 0.504 . . . . 74.42 111.057 -177.627 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.426 ' HB ' ' HB3' ' A' ' 18' ' ' ARG . 3.0 m -81.32 157.45 25.08 Favored 'General case' 0 C--O 1.248 0.99 0 CA-C-N 115.927 -0.579 . . . . 72.12 110.717 177.213 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -72.94 73.34 1.03 Allowed Glycine 0 N--CA 1.444 -0.817 0 CA-C-N 115.542 -0.754 . . . . 62.44 112.367 175.57 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -67.64 -169.19 4.38 Favored Glycine 0 C--N 1.332 0.319 0 C-N-CA 120.949 -0.643 . . . . 62.02 111.698 171.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 10.6 mpt_? -51.48 -46.68 63.21 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 116.991 0.395 . . . . 73.04 110.397 178.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.541 ' HB3' ' HA ' ' A' ' 31' ' ' SER . 19.5 t70 -125.8 -43.05 1.87 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.985 -0.552 . . . . 74.22 109.6 173.852 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -163.85 144.89 9.86 Favored Glycine 0 C--N 1.345 1.082 0 C-N-CA 120.136 -1.03 . . . . 73.12 111.957 165.307 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.43 ' O ' ' HA ' ' A' ' 11' ' ' SER . 4.0 tmt_? -123.84 100.65 6.86 Favored 'General case' 0 C--O 1.221 -0.42 0 CA-C-N 117.448 0.624 . . . . 73.24 109.343 179.196 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.431 ' HB2' ' HB1' ' B' ' 52' ' ' ALA . . . -104.33 139.75 38.86 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 121.172 0.51 . . . . 71.12 111.236 -170.271 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.419 ' OG1' ' NH1' ' A' ' 18' ' ' ARG . 24.3 m -149.75 113.23 4.98 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 116.026 -0.534 . . . . 65.23 110.84 -177.869 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.579 ' HA ' ' HA ' ' A' ' 9' ' ' ALA . 47.9 t -69.83 111.31 5.48 Favored 'General case' 0 C--O 1.246 0.889 0 N-CA-C 107.951 -1.129 . . . . 62.3 107.951 177.834 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.467 ' HB3' ' HB3' ' A' ' 8' ' ' ALA . 57.2 t-80 -55.51 -24.44 31.71 Favored 'General case' 0 C--N 1.347 0.466 0 O-C-N 126.207 2.192 . . . . 71.44 112.835 -166.457 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.539 ' HB2' ' HZ3' ' A' ' 25' ' ' LYS . 14.7 m-20 -80.47 16.92 1.19 Allowed 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.646 -0.501 . . . . 73.43 109.646 178.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.435 ' H ' ' C ' ' A' ' 22' ' ' HIS . 28.2 mm-40 69.27 20.35 7.48 Favored 'General case' 0 CA--C 1.521 -0.155 0 CA-C-N 115.432 -0.804 . . . . 72.53 109.989 177.387 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.539 ' HZ3' ' HB2' ' A' ' 23' ' ' ASP . 26.9 mtmm -86.21 -25.49 25.6 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 115.428 -0.806 . . . . 73.44 111.106 -179.787 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.526 ' N ' ' HB3' ' A' ' 21' ' ' SER . 55.9 tp -145.98 148.16 32.45 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 119.848 -0.741 . . . . 74.42 111.202 -178.422 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -161.32 91.44 0.85 Allowed 'General case' 0 CA--C 1.534 0.338 0 O-C-N 123.734 0.646 . . . . 74.5 109.849 179.702 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.401 HG21 HD11 ' A' ' 26' ' ' LEU . 4.2 m -148.88 178.09 0.79 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.464 0 CA-C-O 121.778 0.799 . . . . 62.12 111.838 178.902 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -121.7 148.12 45.02 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 114.752 -1.113 . . . . 62.42 109.163 176.136 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.723 ' HA ' ' H ' ' A' ' 44' ' ' THR . 0.0 OUTLIER -127.96 156.07 43.25 Favored 'General case' 0 C--O 1.254 1.333 0 N-CA-C 110.064 -0.347 . . . . 73.21 110.064 173.366 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.541 ' HA ' ' HB3' ' A' ' 16' ' ' ASP . 49.0 m -160.07 140.42 11.76 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 115.227 -0.897 . . . . 75.34 111.257 -175.333 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.33 146.46 88.97 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 115.665 -0.698 . . . . 52.21 109.495 173.555 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_endo -67.04 14.69 0.13 Allowed 'Trans proline' 0 CA--C 1.537 0.673 0 C-N-CA 123.192 2.595 . . . . 73.33 114.712 -169.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 71.8 -37.12 0.38 Allowed 'General case' 0 CA--C 1.539 0.541 0 N-CA-C 112.988 0.736 . . . . 64.52 112.988 177.011 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -48.31 -31.76 6.46 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-O 121.556 0.693 . . . . 75.14 111.495 179.085 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 13.4 mt -108.79 17.71 21.55 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.161 -0.927 . . . . 73.53 110.958 -171.225 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 80.94 54.25 3.68 Favored Glycine 0 CA--C 1.52 0.345 0 C-N-CA 121.03 -0.605 . . . . 72.22 111.606 -176.239 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -83.42 -88.22 0.77 Allowed Glycine 0 C--N 1.332 0.322 0 C-N-CA 121.357 -0.449 . . . . 73.44 112.973 -176.403 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -167.41 -42.93 0.02 OUTLIER 'General case' 0 C--O 1.233 0.219 0 CA-C-O 120.869 0.366 . . . . 63.22 111.2 179.099 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 96.5 64.09 0.93 Allowed Glycine 0 C--O 1.235 0.179 0 N-CA-C 110.614 -0.995 . . . . 45.53 110.614 -176.034 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.448 ' HB2' ' OG ' ' A' ' 31' ' ' SER . . . -136.01 176.65 8.5 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.247 0.546 . . . . 51.12 111.833 -174.669 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -103.04 80.23 1.84 Allowed 'General case' 0 CA--C 1.514 -0.418 0 CA-C-N 115.021 -0.991 . . . . 71.23 109.642 -178.053 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -144.59 -164.93 10.8 Favored Glycine 0 C--N 1.31 -0.908 0 CA-C-N 114.478 -1.237 . . . . 55.55 112.603 -179.722 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.723 ' H ' ' HA ' ' A' ' 30' ' ' LEU . 12.2 t -111.58 150.56 29.86 Favored 'General case' 0 C--O 1.234 0.262 0 N-CA-C 109.057 -0.72 . . . . 74.01 109.057 178.875 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.548 ' HB2' ' HB3' ' A' ' 48' ' ' GLN . 1.5 m-20 -65.92 138.89 96.54 Favored Pre-proline 0 C--N 1.325 -0.492 0 N-CA-C 110.339 -0.245 . . . . 72.33 110.339 -176.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 45' ' ' ASN . 31.4 Cg_exo -59.65 -58.16 0.67 Allowed 'Trans proline' 0 C--N 1.349 0.572 0 C-N-CA 123.039 2.493 . . . . 63.04 112.941 -175.351 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.11 -31.28 72.06 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-O 120.913 0.387 . . . . 62.13 110.299 -177.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.548 ' HB3' ' HB2' ' A' ' 45' ' ' ASN . 34.0 tt0 -63.13 -44.42 95.63 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 115.843 -0.617 . . . . 74.41 110.308 174.289 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -61.22 -50.31 73.61 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.308 -0.86 . . . . 71.11 109.805 -179.31 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 39.8 t80 -59.2 -49.4 77.99 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 115.97 -0.559 . . . . 65.21 110.544 178.31 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.437 ' HB3' HG13 ' A' ' 83' ' ' VAL . . . -53.41 -53.15 55.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.277 -0.419 . . . . 52.03 111.827 177.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.58 -45.76 90.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 73.32 110.998 -178.452 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.512 ' HA3' HD13 ' B' ' 49' ' ' LEU . . . -65.77 -40.57 95.74 Favored Glycine 0 C--N 1.333 0.399 0 CA-C-N 115.917 -0.583 . . . . 45.35 112.33 -179.576 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -69.73 -39.07 77.03 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 110.111 -0.329 . . . . 74.55 110.111 179.622 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 31.2 t -63.52 -47.71 80.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.072 0.463 . . . . 73.1 109.834 178.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.495 ' HB3' HD21 ' B' ' 30' ' ' LEU . . . -64.27 -44.6 91.22 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.84 -0.618 . . . . 72.41 110.515 178.327 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 42.0 t -60.19 -36.67 78.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.899 -0.591 . . . . 74.4 110.006 177.298 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 33.5 t80 -62.66 -50.13 72.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.529 -0.76 . . . . 74.24 110.747 -177.017 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.521 HD12 ' N ' ' A' ' 60' ' ' SER . 4.5 pp -69.23 -37.65 78.13 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 116.462 -0.335 . . . . 74.12 111.024 -177.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.521 ' N ' HD12 ' A' ' 59' ' ' LEU . 50.1 m -68.58 -38.61 80.81 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-O 120.803 0.335 . . . . 74.4 110.55 177.905 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.24 -42.28 84.23 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.005 0.431 . . . . 64.15 110.04 178.164 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' MET . . . . . 0.573 ' HE3' ' HA ' ' A' ' 62' ' ' MET . 4.7 tpt -61.26 -40.83 95.54 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 115.688 -0.687 . . . . 61.32 109.847 177.028 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 48.8 tptt -63.38 -42.67 98.85 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 115.626 -0.716 . . . . 62.32 109.895 177.477 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.412 ' CZ ' ' HE1' ' B' ' 93' ' ' PHE . 87.1 t80 -61.08 -49.18 78.36 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 115.811 -0.631 . . . . 70.35 110.467 177.655 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 54.0 t -53.43 -48.68 57.0 Favored 'Isoleucine or valine' 0 C--O 1.235 0.319 0 CA-C-N 115.946 -0.57 . . . . 51.41 110.433 177.628 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -53.56 -34.79 59.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.908 -0.587 . . . . 55.45 110.493 178.591 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -69.28 -31.66 71.79 Favored Glycine 0 N--CA 1.45 -0.394 0 CA-C-N 115.43 -0.805 . . . . 65.01 112.267 -177.204 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -98.75 -7.32 27.81 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.34 0.591 . . . . 73.33 109.549 -179.126 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -100.95 3.75 41.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.245 -0.888 . . . . 73.35 110.5 176.511 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 33.4 mmtt 65.47 23.6 11.9 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 115.131 -0.94 . . . . 70.5 111.129 170.51 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -119.45 166.87 12.53 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.58 -0.736 . . . . 65.11 110.329 -179.089 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 19.9 p -122.23 128.88 51.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.478 -0.328 . . . . 71.13 111.421 -178.296 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 89.8 mt -109.79 137.97 20.56 Favored Pre-proline 0 C--N 1.326 -0.453 0 CA-C-N 115.945 -0.57 . . . . 64.52 110.526 177.158 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_exo -59.22 142.01 98.65 Favored 'Trans proline' 0 C--N 1.35 0.627 0 C-N-CA 123.276 2.651 . . . . 75.32 113.224 -176.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -77.45 -9.24 58.77 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.522 0.677 . . . . 74.43 110.603 174.438 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -85.21 16.65 3.45 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.127 -0.942 . . . . 72.44 111.255 -176.433 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.402 ' HB ' HD22 ' A' ' 103' ' ' LEU . 7.5 t -95.25 161.0 14.28 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.118 0.485 . . . . 74.0 111.512 -176.472 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 26.3 m -150.68 149.38 29.75 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.808 -0.633 . . . . 72.13 109.819 179.567 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 97.5 t -129.59 121.12 52.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 N-CA-C 109.446 -0.576 . . . . 73.54 109.446 176.252 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 38.8 m -105.38 115.5 30.36 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.659 -0.7 . . . . 61.0 110.787 -177.355 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -102.56 105.22 15.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.757 -0.656 . . . . 75.0 109.7 178.06 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.47 ' HA ' ' HA ' ' B' ' 8' ' ' ALA . 44.0 tt0 -104.79 113.02 26.35 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 110.075 -0.343 . . . . 75.53 110.075 -179.668 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.692 HG12 ' HB ' ' A' ' 97' ' ' VAL . 11.0 m -104.46 137.27 34.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 121.205 0.526 . . . . 74.25 111.695 -176.877 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.401 ' HA2' ' HA ' ' B' ' 6' ' ' LYS . . . -133.16 160.04 23.78 Favored Glycine 0 N--CA 1.442 -0.947 0 CA-C-N 115.363 -0.835 . . . . 64.22 111.497 174.418 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -143.8 136.64 23.94 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.761 0 N-CA-C 109.178 -0.675 . . . . 71.32 109.178 179.088 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -153.41 170.01 32.23 Favored Glycine 0 C--O 1.228 -0.22 0 N-CA-C 111.472 -0.651 . . . . 64.2 111.472 -177.723 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . 0.731 ' HD3' ' HG ' ' B' ' 4' ' ' LEU . 3.1 Cg_exo -73.62 135.0 21.18 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.489 2.126 . . . . 75.13 111.385 -178.65 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . 0.505 ' HB2' ' HB1' ' A' ' 94' ' ' ALA . 19.2 t-20 -88.3 149.14 23.95 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.644 -0.502 . . . . 63.43 109.644 178.448 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -63.02 -13.49 36.06 Favored 'General case' 0 N--CA 1.466 0.372 0 O-C-N 123.194 0.309 . . . . 74.31 111.45 -178.167 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -67.16 -24.29 65.87 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-O 121.149 0.5 . . . . 62.35 110.589 174.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.13 34.97 3.53 Favored Glycine 0 CA--C 1.516 0.146 0 CA-C-N 115.822 -0.626 . . . . 52.42 111.799 -175.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -148.31 -144.53 3.99 Favored Glycine 0 C--N 1.33 0.233 0 N-CA-C 111.202 -0.759 . . . . 74.12 111.202 -179.476 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 31.5 m-85 -105.99 164.68 11.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 117.124 0.462 . . . . 72.25 111.045 178.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.505 ' HB1' ' HB2' ' A' ' 88' ' ' ASN . . . -149.29 131.56 15.53 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 108.88 -0.785 . . . . 73.43 108.88 177.548 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -100.17 146.8 26.41 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.128 0.49 . . . . 75.45 111.16 -177.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -137.09 132.03 33.52 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 114.567 -1.197 . . . . 62.1 108.603 -177.356 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.713 HG13 HG21 ' A' ' 134' ' ' VAL . 0.6 OUTLIER -146.77 122.06 2.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 121.475 0.655 . . . . 41.42 111.642 174.883 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -100.06 123.04 43.85 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.212 -0.904 . . . . 52.25 110.023 -179.117 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 73.1 mt -105.46 106.48 17.0 Favored 'General case' 0 C--O 1.233 0.225 0 N-CA-C 109.765 -0.457 . . . . 73.33 109.765 175.452 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.506 ' HA ' HG13 ' A' ' 137' ' ' VAL . 12.5 ttt85 -103.62 107.8 18.81 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.254 -0.885 . . . . 73.43 109.388 -175.822 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 53.3 t -102.5 97.47 5.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 120.627 0.251 . . . . 72.23 110.612 -172.158 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -91.91 101.25 13.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.908 0.385 . . . . 73.1 110.337 -179.322 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.402 HD22 ' HB ' ' A' ' 77' ' ' THR . 3.4 mt -116.42 116.95 38.91 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 115.924 -0.58 . . . . 73.31 110.023 -179.389 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -74.47 149.37 39.28 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.439 2.093 . . . . 73.52 112.38 -179.419 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 68.92 15.11 68.87 Favored Glycine 0 CA--C 1.523 0.59 0 CA-C-N 115.644 -0.707 . . . . 54.45 113.122 -179.635 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.419 HD23 ' HA ' ' A' ' 111' ' ' ALA . 37.3 tp -121.7 141.96 50.64 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 120.75 0.309 . . . . 65.03 111.018 -176.641 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -76.42 164.3 26.12 Favored 'General case' 0 CA--C 1.513 -0.471 0 CA-C-N 116.126 -0.488 . . . . 72.42 110.793 178.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . 0.445 ' O ' ' HG3' ' A' ' 112' ' ' LYS . . . -68.63 -45.61 71.41 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.27 -0.877 . . . . 74.35 109.908 170.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -64.36 -42.21 96.32 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 115.4 -0.818 . . . . 64.13 110.906 -175.42 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . 0.505 ' O ' HG22 ' A' ' 113' ' ' THR . . . -72.77 -44.12 61.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.725 -0.67 . . . . 73.25 110.009 178.066 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . 0.419 ' HA ' HD23 ' A' ' 106' ' ' LEU . . . -54.76 -40.94 69.88 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.018 -0.537 . . . . 54.13 111.139 179.684 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . 0.728 ' HZ2' ' HB3' ' A' ' 112' ' ' LYS . 9.9 mtpm? -54.25 -49.35 69.71 Favored 'General case' 0 CA--C 1.529 0.171 0 CA-C-O 120.577 0.227 . . . . 74.23 110.963 178.288 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' THR . . . . . 0.505 HG22 ' O ' ' A' ' 110' ' ' ALA . 0.9 OUTLIER -70.08 -34.98 73.85 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 116.556 -0.293 . . . . 74.22 110.306 -176.417 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.458 ' HG ' ' O ' ' A' ' 110' ' ' ALA . 42.3 mt -64.73 -50.08 68.31 Favored 'General case' 0 N--CA 1.46 0.032 0 CA-C-N 116.32 -0.4 . . . . 61.01 110.254 179.33 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . 0.477 HG21 HG12 ' A' ' 138' ' ' VAL . 87.6 t -63.9 -35.14 72.29 Favored 'Isoleucine or valine' 0 C--O 1.238 0.476 0 CA-C-N 116.322 -0.399 . . . . 72.22 110.53 178.304 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -58.66 -61.23 2.76 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 116.148 -0.478 . . . . 65.51 109.949 178.612 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . 0.438 ' HG2' ' O ' ' A' ' 113' ' ' THR . 10.8 ptm180 -64.97 -36.12 83.37 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.144 -0.48 . . . . 65.24 110.637 -177.382 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -57.0 -51.82 67.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.006 -0.543 . . . . 63.41 111.257 179.706 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . 0.418 ' HE2' ' NH1' ' A' ' 129' ' ' ARG . 10.5 p-80 -77.79 1.4 20.34 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 121.176 -0.209 . . . . 74.13 110.628 -179.288 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 47.7 t-80 -101.25 -35.17 9.36 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.555 -0.293 . . . . 75.14 110.791 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 34.5 m -82.51 -20.81 9.74 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.289 0 CA-C-N 116.389 -0.369 . . . . 74.54 111.01 -178.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 74.0 m -83.98 146.08 48.01 Favored Pre-proline 0 CA--C 1.532 0.282 0 CA-C-N 116.234 -0.439 . . . . 72.12 110.183 178.34 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -53.08 -30.61 50.45 Favored 'Trans proline' 0 C--N 1.353 0.807 0 C-N-CA 122.787 2.325 . . . . 75.04 112.192 179.243 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -81.82 69.66 8.55 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 108.387 -0.968 . . . . 65.44 108.387 177.823 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' SER . . . . . 0.549 ' O ' HG23 ' A' ' 128' ' ' THR . 30.8 t -118.53 -81.01 0.62 Allowed 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 116.014 -0.539 . . . . 65.33 111.466 -174.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 33.5 t30 -60.33 -41.85 94.43 Favored 'General case' 0 C--O 1.237 0.434 0 CA-C-O 121.614 0.721 . . . . 73.42 109.941 -177.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . 0.427 ' HB1' ' HB1' ' B' ' 127' ' ' ALA . . . -68.38 -13.32 62.2 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 114.953 -1.021 . . . . 54.1 111.756 -179.158 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' THR . . . . . 0.549 HG23 ' O ' ' A' ' 125' ' ' SER . 0.6 OUTLIER -107.95 3.29 24.0 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.243 0.544 . . . . 73.21 110.009 -171.643 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . 0.418 ' NH1' ' HE2' ' A' ' 119' ' ' HIS . 14.2 ptm180 -128.22 -59.52 1.17 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.135 -0.484 . . . . 72.04 110.862 179.651 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 88.3 m-20 -79.4 -34.28 41.95 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.86 0.362 . . . . 71.52 111.195 -177.365 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 12.2 t30 -89.64 -37.94 14.27 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 116.193 -0.458 . . . . 72.12 111.36 -176.379 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 99.3 t -121.29 138.19 52.48 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.42 0 N-CA-C 110.4 -0.222 . . . . 70.22 110.4 -179.275 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -78.52 92.91 4.71 Favored 'General case' 0 C--O 1.24 0.565 0 CA-C-O 121.424 0.631 . . . . 45.42 111.333 -178.176 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . 0.713 HG21 HG13 ' A' ' 97' ' ' VAL . 90.1 t -106.59 130.05 59.06 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.536 0 CA-C-N 115.239 -0.891 . . . . 75.02 110.738 176.816 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 13.8 mmt180 -95.26 102.57 14.39 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 108.596 -0.89 . . . . 74.34 108.596 176.407 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . 0.408 HD23 ' HA ' ' A' ' 136' ' ' LEU . 40.1 mt -77.81 110.95 13.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.409 0.623 . . . . 50.04 110.547 178.688 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . 0.506 HG13 ' HA ' ' A' ' 100' ' ' ARG . 0.2 OUTLIER -126.37 115.6 42.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 115.079 -0.964 . . . . 74.42 110.086 -178.648 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . 0.477 HG12 HG21 ' A' ' 115' ' ' VAL . 3.4 m -93.3 138.96 19.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.772 -0.649 . . . . 71.15 109.816 179.485 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.315 -0.894 0 CA-C-N 115.971 -0.558 . . . . 73.13 110.807 -175.242 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 27.4 ptm . . . . . 0 C--O 1.235 0.317 0 CA-C-O 121.257 0.551 . . . . 72.42 110.358 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 36.9 t30 -100.48 86.24 3.12 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.264 -0.88 . . . . 61.35 109.527 177.731 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . 0.521 HG21 ' HB2' ' B' ' 6' ' ' LYS . 25.8 mm -66.24 118.67 9.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 115.83 -0.623 . . . . 72.42 111.029 178.711 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . 0.731 ' HG ' ' HD3' ' A' ' 87' ' ' PRO . 90.1 mt -70.61 -44.26 67.63 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.424 -0.807 . . . . 75.25 109.842 177.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 5' ' ' TYR . . . . . . . . . . . . . 29.8 t80 -139.89 129.83 24.82 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.957 -0.565 . . . . 75.45 110.898 -178.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . 0.521 ' HB2' HG21 ' B' ' 3' ' ' ILE . 28.4 ttmt -137.85 130.06 29.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.985 0.421 . . . . 65.01 110.814 174.683 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 7' ' ' THR . . . . . 0.433 HG21 ' HB2' ' A' ' 48' ' ' GLN . 9.5 t -128.12 141.36 51.51 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.689 -0.687 . . . . 73.02 109.535 177.201 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . 0.47 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . . . -109.81 135.88 50.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.043 0.449 . . . . 64.22 110.879 -177.459 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -122.62 136.42 54.88 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.33 -0.619 . . . . 71.2 109.33 175.39 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 9.3 t -120.99 121.28 37.64 Favored 'General case' 0 N--CA 1.443 -0.81 0 N-CA-C 108.117 -1.068 . . . . 64.31 108.117 -177.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 70.4 m -119.13 113.47 20.96 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-N 115.559 -0.746 . . . . 74.14 110.661 -171.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 4.4 m -95.86 157.12 16.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 73.24 110.714 -177.535 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -93.09 65.71 1.91 Allowed Glycine 0 N--CA 1.452 -0.29 0 N-CA-C 110.826 -0.91 . . . . 71.12 110.826 174.624 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -56.49 -100.94 0.01 OUTLIER Glycine 0 C--N 1.339 0.702 0 C-N-CA 121.33 -0.462 . . . . 73.4 113.26 -176.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 4.4 mpt_? -88.82 -52.8 4.93 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 122.534 -0.392 . . . . 65.14 110.76 178.504 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 16' ' ' ASP . . . . . 0.415 ' HB2' ' HB2' ' B' ' 41' ' ' ALA . 10.0 t0 -125.84 -43.42 1.85 Allowed 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 121.407 0.623 . . . . 65.33 109.38 178.103 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 17' ' ' GLY . . . . . 0.509 ' O ' ' HG3' ' B' ' 29' ' ' LYS . . . -171.17 159.09 30.86 Favored Glycine 0 C--N 1.335 0.488 0 N-CA-C 110.479 -1.048 . . . . 74.22 110.479 160.337 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 18' ' ' ARG . . . . . 0.47 ' HA ' ' HA ' ' B' ' 29' ' ' LYS . 71.0 ttt180 -141.35 152.62 44.54 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 117.762 0.781 . . . . 74.4 110.524 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -145.82 124.03 12.22 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 116.259 -0.428 . . . . 64.31 110.325 179.509 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 27.9 m -132.73 112.43 11.98 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.329 -0.396 . . . . 75.11 110.433 -177.629 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 21' ' ' SER . . . . . 0.483 ' HB3' ' N ' ' B' ' 26' ' ' LEU . 31.3 t -68.42 108.0 3.09 Favored 'General case' 0 C--O 1.246 0.875 0 N-CA-C 107.47 -1.307 . . . . 74.21 107.47 175.38 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 22' ' ' HIS . . . . . 0.421 ' C ' ' H ' ' B' ' 24' ' ' GLN . 84.7 t60 -61.26 -14.88 29.53 Favored 'General case' 0 N--CA 1.468 0.431 0 O-C-N 125.626 1.829 . . . . 73.12 112.363 -166.493 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . 0.451 ' HB2' ' HG2' ' B' ' 25' ' ' LYS . 2.2 m-20 -80.19 12.38 2.91 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.465 -0.569 . . . . 63.54 109.465 176.559 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . 0.421 ' H ' ' C ' ' B' ' 22' ' ' HIS . 29.5 mm-40 67.9 24.13 8.14 Favored 'General case' 0 CA--C 1.519 -0.247 0 CA-C-N 115.137 -0.938 . . . . 71.43 109.734 -179.08 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.497 ' HG3' HE22 ' A' ' 48' ' ' GLN . 75.4 mmtt -82.68 -35.07 27.14 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 114.813 -1.085 . . . . 41.25 110.026 178.084 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . 0.483 ' N ' ' HB3' ' B' ' 21' ' ' SER . 58.5 tp -147.78 146.66 29.26 Favored 'General case' 0 C--N 1.345 0.406 0 C-N-CA 120.017 -0.673 . . . . 73.34 111.759 -174.777 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -153.47 97.76 2.17 Favored 'General case' 0 C--N 1.331 -0.21 0 O-C-N 123.701 0.626 . . . . 53.33 109.421 173.366 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 4.4 m -141.07 177.87 3.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 121.277 0.561 . . . . 74.12 111.46 179.687 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.509 ' HG3' ' O ' ' B' ' 17' ' ' GLY . 35.6 tttm -131.72 143.43 50.25 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 114.902 -1.045 . . . . 74.12 110.108 -177.724 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . 0.78 ' HA ' ' H ' ' B' ' 44' ' ' THR . 0.0 OUTLIER -127.98 176.98 7.19 Favored 'General case' 0 C--O 1.253 1.285 0 CA-C-O 121.116 0.484 . . . . 72.32 110.695 176.043 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 12.0 p -145.71 153.62 41.17 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.058 -0.974 . . . . 62.35 111.677 -174.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -93.32 129.18 39.83 Favored Pre-proline 0 C--O 1.236 0.387 0 CA-C-N 115.969 -0.56 . . . . 75.13 109.681 174.027 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 33' ' ' PRO . . . . . 0.436 ' HG3' ' ND2' ' B' ' 45' ' ' ASN . 74.0 Cg_exo -49.33 107.88 0.17 Allowed 'Trans proline' 0 C--N 1.352 0.757 0 C-N-CA 122.874 2.383 . . . . 72.21 112.495 -177.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 34' ' ' ARG . . . . . 0.512 ' HB2' ' HA3' ' B' ' 40' ' ' GLY . 62.6 ttt180 -64.84 -20.16 66.26 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 120.909 0.385 . . . . 71.43 110.872 -178.09 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 42.4 mm-40 -50.29 -27.87 6.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.579 -0.737 . . . . 72.42 111.482 175.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 41.7 mt -110.47 13.52 22.72 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.969 -0.559 . . . . 63.52 111.008 -173.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 94.75 59.73 1.12 Allowed Glycine 0 C--N 1.333 0.414 0 CA-C-N 115.925 -0.579 . . . . 51.22 112.774 178.773 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -128.72 -134.83 3.88 Favored Glycine 0 C--N 1.333 0.378 0 N-CA-C 111.705 -0.558 . . . . 64.12 111.705 179.149 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 39' ' ' ALA . . . . . 0.403 ' O ' ' HD2' ' B' ' 34' ' ' ARG . . . -118.34 -29.0 5.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.635 0.255 . . . . 71.25 110.831 179.742 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 40' ' ' GLY . . . . . 0.512 ' HA3' ' HB2' ' B' ' 34' ' ' ARG . . . 52.39 47.74 55.87 Favored Glycine 0 C--N 1.334 0.451 0 CA-C-N 116.164 -0.471 . . . . 53.13 113.487 177.734 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . 0.478 ' HB2' ' HZ1' ' B' ' 29' ' ' LYS . . . -79.44 174.81 11.19 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.684 0.278 . . . . 75.21 110.796 178.024 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . 0.419 ' O ' ' HG3' ' B' ' 42' ' ' GLU . 10.7 pt-20 -68.41 80.56 0.25 Allowed 'General case' 0 CA--C 1.534 0.358 0 CA-C-O 121.662 0.744 . . . . 74.14 110.355 176.676 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -145.74 -170.62 14.66 Favored Glycine 0 C--N 1.316 -0.558 0 CA-C-N 115.607 -0.724 . . . . 72.12 112.449 175.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 44' ' ' THR . . . . . 0.78 ' H ' ' HA ' ' B' ' 30' ' ' LEU . 31.2 p -102.08 179.32 4.36 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.864 0.364 . . . . 70.51 111.029 179.069 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 45' ' ' ASN . . . . . 0.492 ' HB3' ' OE2' ' B' ' 47' ' ' GLU . 11.4 m120 -97.99 126.7 39.43 Favored Pre-proline 0 C--N 1.326 -0.448 0 CA-C-N 115.869 -0.605 . . . . 71.14 110.228 178.841 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 46' ' ' PRO . . . . . . . . . . . . . 29.0 Cg_endo -63.68 -50.13 3.57 Favored 'Trans proline' 0 C--O 1.241 0.648 0 C-N-CA 122.63 2.22 . . . . 54.41 112.539 -178.604 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 47' ' ' GLU . . . . . 0.492 ' OE2' ' HB3' ' B' ' 45' ' ' ASN . 4.1 pm0 -62.22 -32.91 73.64 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 120.951 0.405 . . . . 73.03 110.133 179.228 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -64.93 -45.69 84.77 Favored 'General case' 0 C--O 1.225 -0.193 0 CA-C-N 115.927 -0.578 . . . . 65.22 109.564 174.01 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 49' ' ' LEU . . . . . 0.512 HD13 ' HA3' ' A' ' 53' ' ' GLY . 2.5 tm? -55.35 -49.73 71.51 Favored 'General case' 0 C--O 1.237 0.444 0 CA-C-N 115.847 -0.615 . . . . 73.15 109.856 -178.422 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 43.9 t80 -63.24 -42.76 99.24 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 116.258 -0.428 . . . . 74.53 110.681 176.789 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.29 -53.19 60.18 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-O 120.821 0.343 . . . . 63.22 111.691 179.762 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 52' ' ' ALA . . . . . 0.431 ' HB1' ' HB2' ' A' ' 19' ' ' ALA . . . -62.66 -51.98 65.11 Favored 'General case' 0 C--O 1.239 0.512 0 CA-C-O 121.004 0.43 . . . . 74.31 110.79 -179.66 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -57.52 -41.95 93.71 Favored Glycine 0 C--O 1.226 -0.394 0 CA-C-N 115.668 -0.696 . . . . 73.22 112.207 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -67.15 -50.22 62.04 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 122.854 0.461 . . . . 73.43 111.067 -179.734 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 34.5 p -57.95 -43.48 86.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.684 0.278 . . . . 71.55 110.5 -177.736 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -68.68 -44.33 74.26 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 116.104 -0.498 . . . . 72.32 110.527 176.339 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 57' ' ' CYS . . . . . . . . . . . . . 52.2 t -57.98 -35.91 71.87 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 115.878 -0.601 . . . . 72.4 110.92 -179.259 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 37.7 t80 -57.41 -33.94 68.39 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-O 121.109 0.481 . . . . 61.11 109.921 -178.03 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 7.4 tt -70.71 -44.39 66.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.618 -0.719 . . . . 73.31 109.449 177.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 60' ' ' SER . . . . . 0.4 ' O ' ' HB3' ' B' ' 63' ' ' LYS . 1.8 m -55.69 -46.26 77.65 Favored 'General case' 0 C--O 1.241 0.626 0 CA-C-O 121.432 0.634 . . . . 73.23 110.275 177.475 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -60.93 -49.5 77.19 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 115.436 -0.802 . . . . 44.1 110.045 177.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 62' ' ' MET . . . . . . . . . . . . . 71.3 mmm -64.11 -22.61 67.0 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.895 -0.593 . . . . 71.0 111.005 177.656 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . 0.4 ' HB3' ' O ' ' B' ' 60' ' ' SER . 27.0 ttpp -71.63 -44.69 63.92 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.676 -0.49 . . . . 72.03 109.676 176.475 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 39.9 t80 -63.37 -41.86 98.84 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-O 121.115 0.483 . . . . 73.11 110.044 174.045 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 41.7 t -59.36 -49.05 84.94 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.156 0 CA-C-N 115.671 -0.695 . . . . 75.05 110.645 177.025 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -56.61 -32.79 65.63 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.002 -0.545 . . . . 74.13 110.612 -178.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -67.12 -32.48 80.51 Favored Glycine 0 CA--C 1.518 0.245 0 CA-C-N 115.426 -0.806 . . . . 75.04 112.57 -178.686 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -97.87 -12.58 21.96 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 121.508 0.67 . . . . 64.5 109.637 -179.373 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -95.12 -0.11 53.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.237 -0.892 . . . . 65.21 110.733 177.689 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 2.4 mptp? 63.1 24.25 14.35 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 115.756 -0.656 . . . . 73.12 111.816 175.681 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -118.56 169.57 9.68 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.16 -0.473 . . . . 74.24 110.516 -178.667 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 17.3 p -126.42 141.08 52.02 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.986 -0.552 . . . . 74.12 109.985 176.551 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 95.9 mt -96.35 137.93 21.57 Favored Pre-proline 0 C--N 1.327 -0.403 0 CA-C-N 116.533 -0.303 . . . . 75.15 110.429 -179.1 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 74' ' ' PRO . . . . . 0.475 ' HD2' HD13 ' B' ' 103' ' ' LEU . 31.9 Cg_exo -60.38 131.62 39.42 Favored 'Trans proline' 0 C--N 1.349 0.56 0 C-N-CA 122.644 2.229 . . . . 74.32 112.064 177.359 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -77.21 -15.6 59.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.837 0.351 . . . . 71.53 111.888 -176.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -84.9 5.09 30.38 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-O 121.08 0.467 . . . . 60.22 111.295 -178.141 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 77' ' ' THR . . . . . 0.49 ' HA ' ' HD3' ' B' ' 104' ' ' PRO . 13.5 t -75.19 158.54 32.84 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-O 121.0 0.429 . . . . 73.25 111.469 -176.371 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 7.4 m -149.9 149.16 30.03 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 115.76 -0.655 . . . . 71.23 110.133 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 76.6 t -130.85 122.89 53.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 N-CA-C 109.801 -0.444 . . . . 54.24 109.801 175.01 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 80' ' ' THR . . . . . 0.524 ' HA ' ' HA ' ' A' ' 10' ' ' THR . 23.4 m -106.91 110.23 22.33 Favored 'General case' 0 C--N 1.32 -0.678 0 C-N-CA 120.87 -0.332 . . . . 75.2 110.845 -179.044 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -96.84 118.12 32.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.987 -0.551 . . . . 73.43 110.153 178.27 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 82' ' ' GLU . . . . . 0.483 ' HG2' ' HD3' ' A' ' 6' ' ' LYS . 32.8 tt0 -120.98 107.72 13.0 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.217 -0.66 . . . . 71.23 109.217 179.27 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . 0.411 ' O ' ' HG3' ' A' ' 6' ' ' LYS . 19.8 m -102.37 146.21 10.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.053 -0.521 . . . . 71.44 111.175 -172.68 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 84' ' ' GLY . . . . . . . . . . . . . . . -144.15 166.96 27.01 Favored Glycine 0 N--CA 1.445 -0.761 0 CA-C-N 115.827 -0.624 . . . . 52.45 112.269 -178.549 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -142.46 135.99 27.68 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 N-CA-C 109.047 -0.723 . . . . 73.1 109.047 -179.874 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -148.99 169.86 29.4 Favored Glycine 0 CA--C 1.519 0.332 0 O-C-N 123.867 0.73 . . . . 52.3 111.535 -179.061 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 87' ' ' PRO . . . . . 0.707 ' HD3' ' HG ' ' A' ' 4' ' ' LEU . 15.2 Cg_exo -68.4 132.66 26.17 Favored 'Trans proline' 0 C--O 1.237 0.472 0 C-N-CA 122.674 2.25 . . . . 70.05 111.985 -177.875 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 88' ' ' ASN . . . . . 0.408 ' HB2' ' HB1' ' B' ' 94' ' ' ALA . 53.3 t-20 -93.14 140.59 29.34 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.078 -0.712 . . . . 72.3 109.078 176.493 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -64.12 -15.5 59.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.092 0.472 . . . . 71.21 111.075 -178.653 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -67.31 -19.31 65.46 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 115.644 -0.707 . . . . 74.05 110.36 175.626 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.06 27.52 6.22 Favored Glycine 0 N--CA 1.454 -0.157 0 CA-C-N 115.741 -0.663 . . . . 72.2 112.194 -179.58 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . -142.66 -141.62 3.9 Favored Glycine 0 C--N 1.331 0.284 0 N-CA-C 111.404 -0.678 . . . . 70.13 111.404 178.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 93' ' ' PHE . . . . . 0.412 ' HE1' ' CZ ' ' A' ' 64' ' ' PHE . 17.7 m-85 -111.39 159.26 18.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.902 0.382 . . . . 73.12 110.595 177.895 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 94' ' ' ALA . . . . . 0.408 ' HB1' ' HB2' ' B' ' 88' ' ' ASN . . . -140.68 135.56 31.76 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.721 -0.672 . . . . 62.21 109.458 177.494 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -97.2 148.92 22.59 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.125 0.488 . . . . 74.21 110.918 -177.707 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 96' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -134.8 110.48 9.22 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.106 -0.952 . . . . 73.53 109.054 179.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 97' ' ' VAL . . . . . 0.713 ' HB ' HG23 ' B' ' 134' ' ' VAL . 58.5 t -111.29 110.8 33.52 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.937 0 CA-C-O 120.716 0.293 . . . . 65.34 110.694 -178.783 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -96.68 117.25 30.6 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.418 -0.355 . . . . 74.42 110.152 178.384 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 81.5 mt -107.56 110.79 22.78 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.786 -0.45 . . . . 75.14 109.786 178.051 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 100' ' ' ARG . . . . . 0.474 ' HA ' ' O ' ' B' ' 137' ' ' VAL . 90.9 mtt180 -99.4 119.77 38.51 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.781 -0.452 . . . . 70.24 109.781 -177.701 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 101' ' ' VAL . . . . . . . . . . . . . 93.7 t -102.23 109.28 25.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 116.028 -0.533 . . . . 60.12 111.073 -175.058 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -108.89 101.4 10.5 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.958 -0.386 . . . . 53.32 109.958 175.535 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 103' ' ' LEU . . . . . 0.705 HD23 HD21 ' B' ' 106' ' ' LEU . 25.6 tp -112.79 117.23 46.8 Favored Pre-proline 0 C--N 1.326 -0.432 0 N-CA-C 108.862 -0.792 . . . . 72.24 108.862 177.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 104' ' ' PRO . . . . . 0.521 ' HD2' HD12 ' B' ' 103' ' ' LEU . 33.8 Cg_endo -63.78 141.41 78.51 Favored 'Trans proline' 0 C--O 1.237 0.455 0 C-N-CA 122.799 2.333 . . . . 74.24 112.685 -174.394 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 105' ' ' GLY . . . . . . . . . . . . . . . 69.58 8.47 60.06 Favored Glycine 0 N--CA 1.45 -0.427 0 CA-C-N 114.757 -1.11 . . . . 72.34 113.118 179.561 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 106' ' ' LEU . . . . . 0.705 HD21 HD23 ' B' ' 103' ' ' LEU . 25.5 tp -102.65 136.42 42.51 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-O 121.304 0.573 . . . . 65.44 111.129 -178.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 41.6 m-20 -75.29 142.81 43.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.216 -0.902 . . . . 63.12 110.578 176.172 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -61.1 -40.56 94.2 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.721 0.296 . . . . 74.55 110.942 177.671 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -56.57 -48.74 76.7 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.19 -0.459 . . . . 64.51 110.641 -179.739 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 110' ' ' ALA . . . . . 0.52 ' O ' ' HG ' ' B' ' 114' ' ' LEU . . . -70.97 -38.62 72.78 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.924 -0.58 . . . . 72.03 109.976 178.102 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 111' ' ' ALA . . . . . 0.429 ' O ' HG21 ' B' ' 115' ' ' VAL . . . -55.03 -39.67 69.39 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.58 -0.736 . . . . 64.14 110.981 -178.319 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 112' ' ' LYS . . . . . . . . . . . . . 33.9 mmtp -51.94 -47.53 64.7 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 116.103 -0.499 . . . . 74.45 111.077 179.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 113' ' ' THR . . . . . . . . . . . . . 1.3 t -82.09 -34.11 29.49 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 116.376 -0.374 . . . . 72.03 110.94 -175.262 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 114' ' ' LEU . . . . . 0.52 ' HG ' ' O ' ' B' ' 110' ' ' ALA . 38.0 mt -62.99 -44.51 95.83 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-O 121.19 0.519 . . . . 72.05 109.994 179.198 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 115' ' ' VAL . . . . . 0.565 HG23 HG13 ' B' ' 138' ' ' VAL . 73.6 t -62.32 -35.1 67.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 115.444 -0.798 . . . . 63.55 110.293 177.427 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -64.01 -61.25 2.39 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 116.155 -0.475 . . . . 75.43 110.897 179.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 117' ' ' ARG . . . . . . . . . . . . . 7.5 ptm85 -60.18 -40.35 89.7 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.29 -0.413 . . . . 70.2 111.007 -177.02 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -59.15 -46.45 88.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.243 0.545 . . . . 61.11 110.285 175.726 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 47.3 m80 -80.16 4.12 18.42 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.911 -0.586 . . . . 74.31 111.592 179.517 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 16.3 t-80 -101.86 -20.24 14.97 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.544 -0.298 . . . . 73.32 110.724 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 35.2 m -106.44 -29.92 2.66 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.417 0 N-CA-C 112.383 0.512 . . . . 73.14 112.383 -176.475 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 122' ' ' CYS . . . . . 0.464 ' HA ' ' HD3' ' B' ' 123' ' ' PRO . 75.6 m -67.45 129.93 93.49 Favored Pre-proline 0 CA--C 1.539 0.553 0 N-CA-C 111.665 0.246 . . . . 74.53 111.665 -175.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 123' ' ' PRO . . . . . 0.464 ' HD3' ' HA ' ' B' ' 122' ' ' CYS . 36.7 Cg_exo -62.11 -26.06 77.8 Favored 'Trans proline' 0 C--N 1.356 0.944 0 C-N-CA 123.569 2.846 . . . . 65.25 113.541 -176.659 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 124' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 -95.36 13.93 24.14 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-O 120.656 0.265 . . . . 65.35 110.312 176.498 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 125' ' ' SER . . . . . 0.524 ' O ' HG23 ' B' ' 128' ' ' THR . 26.8 t -123.38 -41.3 2.3 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 112.094 0.405 . . . . 64.23 112.094 -175.715 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 126' ' ' ASN . . . . . . . . . . . . . 25.1 p-10 -55.0 -43.85 74.0 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 121.245 0.545 . . . . 74.24 109.832 179.188 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 127' ' ' ALA . . . . . 0.623 ' O ' ' HB3' ' B' ' 131' ' ' ASN . . . -87.71 6.28 35.69 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.537 -0.756 . . . . 74.33 111.857 -178.691 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 128' ' ' THR . . . . . 0.524 HG23 ' O ' ' B' ' 125' ' ' SER . 0.9 OUTLIER -105.21 -22.5 13.06 Favored 'General case' 0 C--O 1.225 -0.213 0 N-CA-C 109.344 -0.614 . . . . 64.4 109.344 178.601 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 129' ' ' ARG . . . . . 0.436 ' HG2' ' O ' ' B' ' 125' ' ' SER . 16.9 ptm180 -99.87 -47.26 5.1 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-O 121.607 0.718 . . . . 75.21 109.21 -178.011 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 130' ' ' ASN . . . . . 0.419 ' N ' ' HG3' ' B' ' 129' ' ' ARG . 85.3 m-20 -79.54 -26.59 41.4 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 114.788 -1.096 . . . . 74.14 111.761 -175.433 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 131' ' ' ASN . . . . . 0.655 HD21 HG12 ' B' ' 132' ' ' VAL . 7.5 t30 -100.57 -37.28 8.85 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 116.129 -0.487 . . . . 75.43 111.695 -173.377 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 132' ' ' VAL . . . . . 0.655 HG12 HD21 ' B' ' 131' ' ' ASN . 15.5 m -131.4 177.85 6.4 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.656 0 CA-C-O 120.549 0.214 . . . . 62.31 111.061 -177.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 133' ' ' ALA . . . . . . . . . . . . . . . -92.0 99.9 12.65 Favored 'General case' 0 C--O 1.24 0.589 0 CA-C-O 121.488 0.661 . . . . 72.23 111.877 -173.464 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 134' ' ' VAL . . . . . 0.713 HG23 ' HB ' ' B' ' 97' ' ' VAL . 83.1 t -124.25 108.48 20.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.063 -0.971 . . . . 64.53 110.465 176.58 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 2.7 ttt85 -77.77 108.57 11.09 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.356 -0.838 . . . . 74.32 110.391 178.165 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 78.9 mt -81.76 119.41 23.84 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.033 -0.53 . . . . 72.41 110.3 176.195 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 137' ' ' VAL . . . . . 0.474 ' O ' ' HA ' ' B' ' 100' ' ' ARG . 0.1 OUTLIER -127.71 121.88 57.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.64 -0.709 . . . . 74.23 109.656 -178.95 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 138' ' ' VAL . . . . . 0.565 HG13 HG23 ' B' ' 115' ' ' VAL . 2.4 m -97.01 138.21 22.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 N-CA-C 109.383 -0.599 . . . . 70.52 109.383 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 139' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.162 0 CA-C-O 118.599 -0.715 . . . . 71.35 110.878 -175.566 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.6 ptm . . . . . 0 N--CA 1.484 1.231 0 CA-C-O 120.874 0.369 . . . . 71.43 110.071 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 47.5 t30 -98.62 86.72 3.63 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.045 -0.525 . . . . 75.52 109.871 178.535 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.491 HG23 ' HB2' ' A' ' 6' ' ' LYS . 28.8 mm -64.32 116.4 3.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.978 -0.556 . . . . 51.02 110.927 177.527 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.675 ' HG ' ' HD3' ' B' ' 87' ' ' PRO . 88.5 mt -75.74 -43.62 45.85 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.453 -0.794 . . . . 74.21 110.069 178.866 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 46.9 t80 -138.85 130.7 27.78 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.979 -0.555 . . . . 73.42 110.063 -176.491 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.491 ' HB2' HG23 ' A' ' 3' ' ' ILE . 28.4 ttmt -143.78 131.22 21.01 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.137 0.494 . . . . 62.42 111.064 176.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 5.8 t -121.36 166.3 14.27 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 114.995 -1.002 . . . . 73.02 109.27 175.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -136.96 147.68 46.48 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.707 0.289 . . . . 64.34 110.78 -175.006 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -139.85 124.06 17.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.247 -0.433 . . . . 73.03 110.585 179.488 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 7.8 t -96.79 130.82 43.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.321 -0.4 . . . . 73.43 110.029 179.185 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 10.9 p -123.14 138.05 54.75 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.238 0.542 . . . . 74.42 111.626 -176.669 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.411 HG22 ' N ' ' A' ' 13' ' ' GLY . 6.7 m -109.59 167.28 10.25 Favored 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 123.317 0.647 . . . . 72.12 109.911 177.288 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.411 ' N ' HG22 ' A' ' 12' ' ' THR . . . -78.32 5.73 54.21 Favored Glycine 0 CA--C 1.526 0.731 0 C-N-CA 120.923 -0.656 . . . . 62.44 113.553 176.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 30.05 -129.6 0.13 Allowed Glycine 0 C--N 1.344 0.98 0 O-C-N 123.646 0.262 . . . . 62.02 113.364 -174.646 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 31.8 mmt180 -88.8 -38.23 14.8 Favored 'General case' 0 C--O 1.236 0.368 0 N-CA-C 107.88 -1.156 . . . . 73.04 107.88 164.769 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.514 ' HB3' ' HA ' ' A' ' 31' ' ' SER . 24.9 t0 -125.42 -42.66 1.95 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 114.991 -1.004 . . . . 74.22 109.608 173.544 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.44 ' O ' ' HG3' ' A' ' 29' ' ' LYS . . . -165.97 163.65 36.91 Favored Glycine 0 C--N 1.342 0.892 0 C-N-CA 120.62 -0.8 . . . . 73.12 111.352 169.32 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.612 ' HA ' ' HA ' ' A' ' 29' ' ' LYS . 51.9 ttt180 -149.49 148.18 29.1 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.379 -0.6 . . . . 73.24 109.379 177.585 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -142.1 124.0 15.27 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.871 0.367 . . . . 71.12 110.267 -175.756 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 25.6 m -130.68 111.31 12.07 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.945 -0.571 . . . . 65.23 110.026 179.512 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.448 ' HB2' ' HB3' ' A' ' 26' ' ' LEU . 11.4 t -74.05 114.45 12.39 Favored 'General case' 0 C--O 1.246 0.887 0 N-CA-C 107.709 -1.219 . . . . 62.3 107.709 177.853 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.424 ' C ' ' H ' ' A' ' 24' ' ' GLN . 9.7 t60 -53.37 -33.99 55.82 Favored 'General case' 0 N--CA 1.474 0.773 0 O-C-N 126.155 2.159 . . . . 71.44 112.868 -164.789 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 26.6 p-10 -80.48 18.67 0.88 Allowed 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 121.512 0.672 . . . . 73.43 110.07 -178.14 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.424 ' H ' ' C ' ' A' ' 22' ' ' HIS . 29.9 mm-40 70.65 23.89 4.53 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 114.734 -1.121 . . . . 72.53 110.645 173.186 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.425 ' HA ' ' HD3' ' A' ' 25' ' ' LYS . 69.6 mmtt -84.7 -26.78 27.48 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.673 -0.694 . . . . 73.44 110.447 175.545 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.455 HD12 HG22 ' A' ' 28' ' ' VAL . 58.3 tp -144.54 145.63 31.93 Favored 'General case' 0 C--O 1.224 -0.253 0 C-N-CA 119.37 -0.932 . . . . 74.42 111.882 -178.685 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -160.46 92.77 0.99 Allowed 'General case' 0 N--CA 1.466 0.328 0 O-C-N 123.806 0.691 . . . . 74.5 109.859 173.031 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.56 ' O ' ' HG3' ' A' ' 18' ' ' ARG . 4.1 m -148.78 177.04 0.92 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.535 0 CA-C-O 121.117 0.484 . . . . 62.12 111.626 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.612 ' HA ' ' HA ' ' A' ' 18' ' ' ARG . 22.4 ttpt -125.43 141.62 51.96 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.086 -0.961 . . . . 62.42 109.669 178.242 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.771 ' HA ' ' H ' ' A' ' 44' ' ' THR . 0.0 OUTLIER -122.87 154.64 38.02 Favored 'General case' 0 C--O 1.253 1.263 0 CA-C-O 121.283 0.563 . . . . 73.21 110.607 176.253 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.514 ' HA ' ' HB3' ' A' ' 16' ' ' ASP . 50.0 m -163.05 126.69 2.85 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 114.779 -1.1 . . . . 75.34 109.85 -173.738 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.41 132.72 95.23 Favored Pre-proline 0 C--O 1.237 0.419 0 N-CA-C 109.774 -0.454 . . . . 52.21 109.774 175.134 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_endo -75.54 34.55 0.41 Allowed 'Trans proline' 0 CA--C 1.533 0.444 0 C-N-CA 123.182 2.588 . . . . 73.33 112.467 -176.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.475 ' O ' ' N ' ' A' ' 36' ' ' LEU . 5.7 ttt180 52.35 -92.17 0.03 OUTLIER 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 123.308 0.643 . . . . 64.52 111.492 -174.259 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 33.4 mm-40 56.34 -73.26 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.604 0 O-C-N 123.728 0.643 . . . . 75.14 112.348 178.513 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.475 ' N ' ' O ' ' A' ' 34' ' ' ARG . 1.2 mm? -85.32 -15.62 42.72 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.867 0.365 . . . . 73.53 110.022 -176.012 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 128.26 43.84 0.22 Allowed Glycine 0 C--N 1.333 0.376 0 CA-C-N 115.788 -0.642 . . . . 72.22 112.438 179.58 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -94.6 -131.27 6.24 Favored Glycine 0 CA--C 1.522 0.516 0 C-N-CA 121.329 -0.463 . . . . 73.44 112.359 -179.176 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -99.04 -49.6 4.46 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-O 120.976 0.417 . . . . 63.22 110.771 -178.444 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 82.98 88.85 0.72 Allowed Glycine 0 N--CA 1.451 -0.335 0 CA-C-N 115.831 -0.622 . . . . 45.53 112.707 177.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -156.81 170.88 21.46 Favored 'General case' 0 C--O 1.234 0.277 0 N-CA-C 110.304 -0.258 . . . . 51.12 110.304 179.007 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -83.09 72.95 10.1 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-O 121.872 0.844 . . . . 71.23 110.853 179.601 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -132.57 -170.4 12.5 Favored Glycine 0 C--N 1.318 -0.437 0 CA-C-N 114.856 -1.065 . . . . 55.55 111.081 175.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.771 ' H ' ' HA ' ' A' ' 30' ' ' LEU . 38.8 m -93.05 140.71 29.2 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 110.056 -0.35 . . . . 74.01 110.056 177.791 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.634 ' HB2' ' HB3' ' A' ' 48' ' ' GLN . 1.2 m-20 -68.25 144.51 96.78 Favored Pre-proline 0 C--N 1.326 -0.428 0 CA-C-N 116.213 -0.449 . . . . 72.33 109.974 177.463 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_exo -60.63 -60.53 0.25 Allowed 'Trans proline' 0 CA--C 1.535 0.572 0 C-N-CA 122.964 2.442 . . . . 63.04 112.838 -177.374 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -65.97 -30.65 71.24 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 120.988 0.423 . . . . 62.13 110.499 -177.121 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.634 ' HB3' ' HB2' ' A' ' 45' ' ' ASN . 27.7 tt0 -65.63 -38.63 89.94 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-N 115.777 -0.647 . . . . 74.41 110.352 175.25 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -64.99 -51.06 63.76 Favored 'General case' 0 C--O 1.234 0.285 0 N-CA-C 109.144 -0.687 . . . . 71.11 109.144 178.277 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 36.4 t80 -58.21 -43.26 87.57 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-N 116.039 -0.528 . . . . 65.21 110.581 177.656 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -53.09 -53.15 54.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.114 -0.494 . . . . 52.03 110.888 177.199 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.64 -43.91 97.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.751 -0.659 . . . . 73.32 111.102 179.635 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -65.05 -42.94 96.42 Favored Glycine 0 C--N 1.332 0.309 0 CA-C-N 116.129 -0.487 . . . . 45.35 112.642 -178.448 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.465 ' CE2' HD12 ' A' ' 99' ' ' LEU . 1.9 t80 -69.32 -46.93 65.93 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.962 -0.384 . . . . 74.55 109.962 -179.726 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.5 t -57.19 -47.17 81.92 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.413 -0.588 . . . . 73.1 109.413 179.547 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.549 ' HB2' ' HB2' ' B' ' 19' ' ' ALA . . . -64.75 -40.22 94.94 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-N 115.846 -0.616 . . . . 72.41 110.946 177.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 44.5 t -57.04 -37.3 71.58 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 116.073 -0.512 . . . . 74.4 110.115 177.752 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -60.84 -35.1 75.69 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 115.748 -0.66 . . . . 74.24 109.977 179.677 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.429 ' O ' ' HD3' ' A' ' 63' ' ' LYS . 4.4 mm? -75.29 -0.44 19.64 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 115.974 -0.557 . . . . 74.12 111.903 -179.752 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 21.7 t -114.16 -46.08 3.02 Favored 'General case' 0 C--O 1.243 0.72 0 N-CA-C 109.282 -0.636 . . . . 74.4 109.282 175.419 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.439 ' O ' HG21 ' A' ' 65' ' ' VAL . . . -53.24 -45.96 68.95 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 115.505 -0.771 . . . . 64.15 110.204 175.393 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' MET . . . . . 0.507 ' SD ' ' HB1' ' A' ' 118' ' ' ALA . 80.8 mmm -61.32 -32.27 72.13 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.312 -0.404 . . . . 61.32 111.347 178.628 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.429 ' HD3' ' O ' ' A' ' 59' ' ' LEU . 1.4 mptm? -64.67 -51.78 60.75 Favored 'General case' 0 C--O 1.234 0.25 0 N-CA-C 109.82 -0.437 . . . . 62.32 109.82 176.687 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 41.2 t80 -62.44 -41.89 99.07 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 116.293 -0.412 . . . . 70.35 110.384 179.357 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.439 HG21 ' O ' ' A' ' 61' ' ' ALA . 55.8 t -58.39 -47.43 87.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 51.41 110.422 177.222 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -61.14 -29.27 69.68 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.094 0.474 . . . . 55.45 110.129 178.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -70.93 -34.43 65.4 Favored Glycine 0 N--CA 1.45 -0.373 0 CA-C-N 115.356 -0.838 . . . . 65.01 112.33 -179.162 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -91.56 -20.54 21.57 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 121.408 0.623 . . . . 73.33 109.629 -178.026 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 10.2 m-80 -90.72 1.42 56.87 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 114.939 -1.028 . . . . 73.35 110.275 178.32 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.0 mptp? 53.63 40.62 31.68 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 115.596 -0.729 . . . . 70.5 110.866 175.749 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -129.81 169.12 15.56 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 114.878 -1.055 . . . . 65.11 110.367 178.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 14.7 p -126.13 134.09 51.43 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.202 -0.454 . . . . 71.13 110.225 177.024 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -109.48 142.0 24.77 Favored Pre-proline 0 N--CA 1.465 0.305 0 CA-C-N 116.714 -0.221 . . . . 64.52 110.971 178.225 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -54.59 139.21 75.97 Favored 'Trans proline' 0 C--N 1.351 0.673 0 C-N-CA 123.194 2.596 . . . . 75.32 112.876 -179.548 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -77.35 -6.16 52.27 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 121.221 0.534 . . . . 74.43 111.167 179.386 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -88.51 4.14 47.75 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.626 -0.715 . . . . 72.44 111.22 -177.352 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 10.3 t -76.53 154.24 34.74 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.841 -0.618 . . . . 74.0 111.576 -176.676 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 53.6 m -149.09 150.12 32.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.635 -0.711 . . . . 72.13 110.145 -179.573 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 72.8 t -130.1 130.96 66.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 N-CA-C 108.943 -0.762 . . . . 73.54 108.943 177.743 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.519 ' HA ' ' HA ' ' B' ' 10' ' ' THR . 11.8 m -114.85 115.77 27.5 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.754 0.312 . . . . 61.0 111.023 -178.122 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -93.34 105.73 17.77 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 116.03 -0.532 . . . . 75.0 110.626 177.654 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.504 ' HG2' ' HD3' ' B' ' 6' ' ' LYS . 36.9 tt0 -101.86 108.7 20.26 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.485 -0.561 . . . . 75.53 109.485 178.271 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.442 ' O ' ' HG3' ' B' ' 6' ' ' LYS . 19.2 m -112.4 146.75 16.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.97 0.414 . . . . 74.25 111.335 -173.601 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.405 ' HA2' ' HA ' ' B' ' 6' ' ' LYS . . . -143.41 167.15 26.62 Favored Glycine 0 N--CA 1.445 -0.72 0 CA-C-N 115.813 -0.631 . . . . 64.22 112.088 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.508 HD11 ' CD2' ' A' ' 93' ' ' PHE . 0.0 OUTLIER -138.2 132.85 43.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 N-CA-C 109.111 -0.7 . . . . 71.32 109.111 -177.952 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -141.68 169.98 24.98 Favored Glycine 0 CA--C 1.516 0.123 0 O-C-N 124.079 0.862 . . . . 64.2 110.955 179.602 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . 0.694 ' HD3' ' HG ' ' B' ' 4' ' ' LEU . 60.0 Cg_endo -80.82 134.31 9.56 Favored 'Trans proline' 0 N--CA 1.455 -0.747 0 C-N-CA 122.174 1.916 . . . . 75.13 112.169 -177.457 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . 0.463 ' HB2' ' HB3' ' A' ' 94' ' ' ALA . 51.4 t30 -86.08 150.61 24.32 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.586 -0.734 . . . . 63.43 110.014 -179.884 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -62.31 -19.87 63.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.113 -0.494 . . . . 74.31 111.548 -177.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -67.28 -23.2 65.65 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 116.174 -0.467 . . . . 62.35 111.044 177.251 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 103.99 35.06 3.54 Favored Glycine 0 N--CA 1.455 -0.095 0 N-CA-C 111.272 -0.731 . . . . 52.42 111.272 -175.335 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -144.27 -144.35 4.18 Favored Glycine 0 N--CA 1.45 -0.397 0 N-CA-C 111.17 -0.772 . . . . 74.12 111.17 -179.756 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.508 ' CD2' HD11 ' A' ' 85' ' ' ILE . 42.1 m-85 -109.79 160.99 15.87 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 117.116 0.458 . . . . 72.25 110.772 179.465 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.463 ' HB3' ' HB2' ' A' ' 88' ' ' ASN . . . -145.06 138.01 26.4 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.264 -0.88 . . . . 73.43 108.929 177.539 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -103.71 140.95 36.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.14 0.495 . . . . 75.45 111.406 -176.609 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -130.26 126.09 36.43 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 114.806 -1.088 . . . . 62.1 108.763 -179.484 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.694 HG13 HG23 ' A' ' 134' ' ' VAL . 0.7 OUTLIER -132.54 119.29 38.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-O 121.621 0.724 . . . . 41.42 111.499 -178.883 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.433 ' CD ' HH21 ' A' ' 135' ' ' ARG . 29.9 tt0 -108.89 130.46 55.43 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.491 -0.777 . . . . 52.25 110.128 -179.536 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.465 HD12 ' CE2' ' A' ' 54' ' ' TYR . 94.9 mt -114.19 117.47 31.29 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.421 -0.354 . . . . 73.33 110.794 -176.125 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.535 ' HA ' ' O ' ' A' ' 137' ' ' VAL . 35.7 ttt180 -99.53 117.53 34.13 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.303 -0.628 . . . . 73.43 109.303 177.216 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 46.8 t -105.71 98.37 6.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 N-CA-C 110.284 -0.265 . . . . 72.23 110.284 -174.623 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -92.0 101.52 14.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.902 0.382 . . . . 73.1 110.798 -178.104 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 6.1 mt -111.64 117.5 48.7 Favored Pre-proline 0 C--N 1.326 -0.428 0 CA-C-N 115.928 -0.578 . . . . 73.31 109.662 176.226 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 68.0 Cg_endo -73.84 150.04 43.54 Favored 'Trans proline' 0 N--CA 1.462 -0.36 0 C-N-CA 122.764 2.309 . . . . 73.52 112.702 -177.159 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 68.97 15.16 69.05 Favored Glycine 0 CA--C 1.522 0.485 0 CA-C-N 115.391 -0.822 . . . . 54.45 112.955 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.47 HD23 ' HA ' ' A' ' 111' ' ' ALA . 40.1 tp -116.47 143.15 45.94 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-O 120.823 0.344 . . . . 65.03 111.222 -174.074 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -77.57 163.48 26.23 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 116.057 -0.519 . . . . 72.42 110.448 176.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . 0.503 ' O ' ' HG3' ' A' ' 112' ' ' LYS . . . -68.29 -44.75 74.81 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.65 -0.705 . . . . 74.35 109.834 169.812 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -59.87 -48.13 82.95 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 115.562 -0.744 . . . . 64.13 110.939 -177.203 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . 0.548 ' O ' HG22 ' A' ' 113' ' ' THR . . . -70.74 -42.57 70.32 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.897 -0.592 . . . . 73.25 110.114 178.702 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . 0.47 ' HA ' HD23 ' A' ' 106' ' ' LEU . . . -54.46 -39.87 67.88 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.157 -0.474 . . . . 54.13 111.613 179.761 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . 0.503 ' HG3' ' O ' ' A' ' 108' ' ' ALA . 68.5 mttm -53.33 -42.78 67.09 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 116.699 -0.228 . . . . 74.23 111.345 -179.849 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' THR . . . . . 0.548 HG22 ' O ' ' A' ' 110' ' ' ALA . 2.8 t -81.13 -38.63 26.89 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 120.923 0.392 . . . . 74.22 110.659 -177.6 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.4 ' HG ' ' O ' ' A' ' 110' ' ' ALA . 49.0 mt -64.58 -43.74 92.88 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.301 -0.409 . . . . 61.01 110.756 -177.904 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 92.1 t -66.84 -32.64 58.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.123 -0.49 . . . . 72.22 110.225 177.415 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -62.33 -61.5 2.41 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 116.395 -0.366 . . . . 65.51 110.11 178.233 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 14.6 ptm180 -59.14 -42.02 89.69 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-N 115.748 -0.66 . . . . 65.24 110.983 -178.034 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . 0.507 ' HB1' ' SD ' ' A' ' 62' ' ' MET . . . -60.4 -46.64 89.27 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 121.307 0.575 . . . . 63.41 110.425 177.49 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . 0.47 ' HE1' ' HB3' ' A' ' 129' ' ' ARG . 48.4 t-80 -85.13 9.87 13.74 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 115.706 -0.679 . . . . 74.13 110.414 -179.034 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 4.9 t60 -108.63 -36.12 6.26 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 116.119 -0.491 . . . . 75.14 110.439 178.28 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 33.3 m -82.2 -34.84 12.61 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.397 0 N-CA-C 112.23 0.455 . . . . 74.54 112.23 -176.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' CYS . . . . . 0.542 ' HB2' ' HG ' ' A' ' 125' ' ' SER . 76.6 m -69.13 131.27 90.7 Favored Pre-proline 0 CA--C 1.536 0.416 0 CA-C-N 116.799 -0.182 . . . . 72.12 111.055 -176.855 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 13.0 Cg_endo -55.19 -51.33 10.4 Favored 'Trans proline' 0 C--N 1.355 0.901 0 C-N-CA 123.065 2.51 . . . . 75.04 112.37 -177.469 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 22.7 m-85 -54.03 -43.53 70.23 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 121.181 0.515 . . . . 65.44 109.722 178.008 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' SER . . . . . 0.542 ' HG ' ' HB2' ' A' ' 122' ' ' CYS . 70.3 m -59.24 -40.76 86.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.213 -0.903 . . . . 65.33 112.183 -174.398 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 93.6 m-20 -72.25 -48.65 41.06 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.299 0.571 . . . . 73.42 110.094 179.266 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -70.16 -1.74 11.03 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.689 -0.687 . . . . 54.1 111.927 -179.154 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' THR . . . . . 0.623 HG21 HG21 ' A' ' 134' ' ' VAL . 2.6 t -112.99 -21.01 11.32 Favored 'General case' 0 N--CA 1.452 -0.33 0 N-CA-C 109.978 -0.378 . . . . 73.21 109.978 -178.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . 0.47 ' HB3' ' HE1' ' A' ' 119' ' ' HIS . 17.7 ptt180 -101.64 -47.7 4.55 Favored 'General case' 0 CA--C 1.517 -0.315 0 N-CA-C 109.183 -0.673 . . . . 72.04 109.183 -176.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 15.8 m120 -78.61 -36.57 43.99 Favored 'General case' 0 N--CA 1.446 -0.669 0 CA-C-N 115.284 -0.871 . . . . 71.52 110.192 -177.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -96.84 -22.91 16.64 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 115.878 -0.601 . . . . 72.12 111.718 -175.733 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . 0.61 HG11 ' H ' ' A' ' 133' ' ' ALA . 11.5 t -132.77 175.2 11.93 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.646 0 N-CA-C 109.938 -0.393 . . . . 70.22 109.938 -174.057 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . 0.61 ' H ' HG11 ' A' ' 132' ' ' VAL . . . -99.17 95.85 7.37 Favored 'General case' 0 C--O 1.243 0.756 0 CA-C-O 121.572 0.701 . . . . 45.42 112.202 -175.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . 0.694 HG23 HG13 ' A' ' 97' ' ' VAL . 95.1 t -116.35 129.35 72.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 114.888 -1.051 . . . . 75.02 111.025 176.117 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . 0.433 HH21 ' CD ' ' A' ' 98' ' ' GLU . 1.9 tmm_? -105.55 123.38 47.81 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 108.668 -0.864 . . . . 74.34 108.668 175.591 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . 0.409 HD21 ' HB2' ' A' ' 99' ' ' LEU . 39.0 mt -94.57 133.82 37.79 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.265 0.555 . . . . 50.04 111.211 -177.282 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . 0.535 ' O ' ' HA ' ' A' ' 100' ' ' ARG . 0.1 OUTLIER -133.46 115.23 22.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.326 -0.852 . . . . 74.42 109.242 175.291 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 2.5 m -88.38 138.71 18.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 N-CA-C 109.834 -0.432 . . . . 71.15 109.834 -177.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.321 -0.673 0 CA-C-N 116.264 -0.425 . . . . 73.13 110.885 -176.124 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 15.9 ptt? . . . . . 0 C--O 1.234 0.262 0 CA-C-O 120.927 0.394 . . . . 72.42 111.0 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 41.8 t30 -72.94 76.0 1.18 Allowed 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 115.889 -0.596 . . . . 61.35 110.604 176.145 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . 0.505 HG23 ' HB2' ' B' ' 6' ' ' LYS . 33.9 mm -73.42 132.7 33.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.901 -0.59 . . . . 72.42 111.82 175.753 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . 0.694 ' HG ' ' HD3' ' A' ' 87' ' ' PRO . 87.6 mt -91.39 -44.27 9.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.465 -0.789 . . . . 75.25 110.039 174.768 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 5' ' ' TYR . . . . . . . . . . . . . 35.0 t80 -136.05 129.52 32.08 Favored 'General case' 0 C--O 1.224 -0.282 0 CA-C-N 116.026 -0.534 . . . . 75.45 110.24 -178.662 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . 0.505 ' HB2' HG23 ' B' ' 3' ' ' ILE . 30.4 ttmt -137.52 141.23 41.45 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.087 0.47 . . . . 65.01 111.148 177.676 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 10.1 t -137.64 170.55 15.88 Favored 'General case' 0 C--O 1.237 0.439 0 CA-C-N 115.453 -0.794 . . . . 73.02 109.279 177.441 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -133.46 145.5 50.29 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.155 0.502 . . . . 64.22 111.178 -176.054 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . 0.423 ' HA ' ' H ' ' B' ' 22' ' ' HIS . . . -141.37 118.29 11.16 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.771 -0.65 . . . . 71.2 109.481 176.225 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 10' ' ' THR . . . . . 0.519 ' HA ' ' HA ' ' A' ' 80' ' ' THR . 12.5 t -101.13 156.21 17.55 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.32 -0.4 . . . . 64.31 110.083 -175.42 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 58.9 p -137.74 113.43 9.63 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.774 0.321 . . . . 74.14 110.819 -177.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 4.9 m -102.84 160.54 14.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.043 -0.526 . . . . 73.24 110.607 -177.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -77.64 72.8 2.15 Favored Glycine 0 CA--C 1.521 0.436 0 C-N-CA 120.976 -0.631 . . . . 71.12 111.917 173.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -57.52 -92.74 0.01 OUTLIER Glycine 0 C--N 1.34 0.771 0 C-N-CA 121.74 -0.267 . . . . 73.4 112.642 179.595 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 12.3 tpt180 -88.62 -55.56 3.66 Favored 'General case' 0 N--CA 1.462 0.15 0 N-CA-C 108.28 -1.007 . . . . 65.14 108.28 172.635 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 16' ' ' ASP . . . . . 0.401 ' O ' ' NZ ' ' A' ' 63' ' ' LYS . 24.1 t0 -126.2 -41.95 1.88 Allowed 'General case' 0 C--O 1.236 0.349 0 CA-C-N 114.639 -1.164 . . . . 65.33 108.23 167.383 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -150.79 151.38 23.39 Favored Glycine 0 N--CA 1.446 -0.648 0 CA-C-N 115.623 -0.717 . . . . 74.22 111.769 171.642 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 18' ' ' ARG . . . . . 0.495 ' HA ' ' HA ' ' B' ' 29' ' ' LYS . 16.3 ttp180 -134.5 145.72 49.05 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 108.71 -0.848 . . . . 74.4 108.71 175.029 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 19' ' ' ALA . . . . . 0.549 ' HB2' ' HB2' ' A' ' 56' ' ' ALA . . . -127.65 123.62 36.01 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 108.808 -0.812 . . . . 64.31 108.808 177.367 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 23.8 m -137.52 113.01 9.4 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 116.274 -0.421 . . . . 75.11 110.649 -172.706 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 21' ' ' SER . . . . . 0.511 ' HB3' ' N ' ' B' ' 26' ' ' LEU . 43.7 t -69.82 111.38 5.52 Favored 'General case' 0 C--O 1.246 0.9 0 N-CA-C 107.458 -1.312 . . . . 74.21 107.458 175.007 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 22' ' ' HIS . . . . . 0.434 ' C ' ' H ' ' B' ' 24' ' ' GLN . 10.4 t-80 -48.34 -37.45 16.66 Favored 'General case' 0 N--CA 1.469 0.515 0 O-C-N 126.106 2.129 . . . . 73.12 113.178 -165.204 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -80.66 26.08 0.41 Allowed 'General case' 0 C--N 1.317 -0.833 0 CA-C-O 120.94 0.4 . . . . 63.54 110.895 -175.456 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . 0.434 ' H ' ' C ' ' B' ' 22' ' ' HIS . 28.0 mm-40 68.4 15.72 9.23 Favored 'General case' 0 CA--C 1.518 -0.279 0 CA-C-N 115.455 -0.793 . . . . 71.43 110.512 176.59 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -74.92 -34.35 62.11 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 115.67 -0.695 . . . . 41.25 109.837 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . 0.511 ' N ' ' HB3' ' B' ' 21' ' ' SER . 50.7 tp -148.68 147.67 29.17 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 120.312 -0.555 . . . . 73.34 111.784 -176.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -156.66 101.19 1.98 Allowed 'General case' 0 N--CA 1.464 0.27 0 O-C-N 123.803 0.69 . . . . 53.33 109.589 174.25 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . 0.493 ' O ' ' HG3' ' B' ' 18' ' ' ARG . 3.3 m -139.29 177.94 4.26 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.448 0 CA-C-N 116.011 -0.54 . . . . 74.12 110.767 179.501 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.495 ' HA ' ' HA ' ' B' ' 18' ' ' ARG . 16.8 ttmt -140.02 144.47 36.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.006 0.432 . . . . 74.12 111.221 -174.733 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . 0.581 ' N ' HD13 ' B' ' 30' ' ' LEU . 0.0 OUTLIER -134.08 175.25 9.65 Favored 'General case' 0 C--O 1.249 1.038 0 CA-C-N 115.485 -0.78 . . . . 72.32 110.701 176.107 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 41.0 p -170.91 144.39 2.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.714 -0.676 . . . . 62.35 110.433 -176.553 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -74.65 114.09 30.73 Favored Pre-proline 0 C--O 1.24 0.585 0 O-C-N 123.46 0.475 . . . . 75.13 111.488 -179.486 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 33' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -59.83 144.26 99.48 Favored 'Trans proline' 0 C--N 1.354 0.829 0 C-N-CA 122.588 2.192 . . . . 72.21 110.737 174.362 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 34' ' ' ARG . . . . . 0.582 ' HB2' ' N ' ' B' ' 40' ' ' GLY . 36.1 ttt85 -84.82 3.74 36.35 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.818 -0.353 . . . . 71.43 111.846 -171.641 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -53.72 -24.75 15.8 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-O 120.791 0.329 . . . . 72.42 111.774 177.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 72.6 mt -113.94 23.1 13.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.411 -0.359 . . . . 63.52 111.023 -177.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 81.65 31.77 32.18 Favored Glycine 0 C--N 1.332 0.323 0 C-N-CA 120.98 -0.628 . . . . 51.22 111.616 -176.317 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -86.8 -131.54 3.13 Favored Glycine 0 CA--C 1.519 0.307 0 CA-C-N 115.208 -0.496 . . . . 64.12 112.631 -177.595 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -105.67 -39.53 6.05 Favored 'General case' 0 N--CA 1.462 0.159 0 N-CA-C 112.084 0.402 . . . . 71.25 112.084 -173.376 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 40' ' ' GLY . . . . . 0.582 ' N ' ' HB2' ' B' ' 34' ' ' ARG . . . 102.35 31.59 5.21 Favored Glycine 0 C--N 1.328 0.136 0 C-N-CA 120.694 -0.765 . . . . 53.13 113.689 177.626 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -96.24 175.69 6.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.799 0.333 . . . . 75.21 110.708 177.634 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -109.34 9.54 25.69 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-O 121.049 0.452 . . . . 74.14 111.153 -173.593 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -71.78 -156.2 2.53 Favored Glycine 0 CA--C 1.522 0.518 0 CA-C-N 115.168 -0.924 . . . . 72.12 113.506 -177.687 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 44' ' ' THR . . . . . 0.549 ' H ' ' HA ' ' B' ' 30' ' ' LEU . 22.8 m -106.56 156.93 18.07 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 122.52 0.328 . . . . 70.51 110.95 -173.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 45' ' ' ASN . . . . . 0.484 ' HB2' ' HB2' ' B' ' 48' ' ' GLN . 40.4 m-80 -86.38 144.33 37.91 Favored Pre-proline 0 CA--C 1.534 0.359 0 N-CA-C 109.814 -0.439 . . . . 71.14 109.814 176.376 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 46' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' B' ' 45' ' ' ASN . 26.7 Cg_exo -63.29 -49.72 4.37 Favored 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 122.677 2.251 . . . . 54.41 112.272 179.616 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -63.88 -32.12 73.54 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 121.709 0.766 . . . . 73.03 109.681 -178.075 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . 0.484 ' HB2' ' HB2' ' B' ' 45' ' ' ASN . 64.9 tt0 -62.74 -42.5 99.7 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 114.25 -1.341 . . . . 65.22 110.213 177.746 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -68.7 -48.64 63.36 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 115.709 -0.678 . . . . 73.15 109.904 179.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -56.3 -46.7 79.67 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 116.303 -0.408 . . . . 74.53 110.723 178.642 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . 0.47 ' HB3' ' HB3' ' B' ' 81' ' ' ALA . . . -63.66 -52.23 61.61 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.284 -0.416 . . . . 63.22 111.597 -178.791 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.93 -54.16 48.14 Favored 'General case' 0 C--O 1.239 0.511 0 CA-C-O 121.222 0.534 . . . . 74.31 110.528 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -59.55 -50.61 65.91 Favored Glycine 0 N--CA 1.449 -0.482 0 CA-C-N 115.433 -0.803 . . . . 73.22 112.351 -179.538 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 6.2 t80 -59.73 -48.43 81.72 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.505 0.152 . . . . 73.43 110.939 -178.108 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 77.3 p -57.55 -51.59 68.85 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 109.895 -0.409 . . . . 71.55 109.895 -179.277 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.06 -43.26 91.71 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-O 121.072 0.463 . . . . 72.32 111.21 178.524 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 57' ' ' CYS . . . . . . . . . . . . . 97.3 m -64.75 -36.03 82.98 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.818 -0.628 . . . . 72.4 110.9 -178.051 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 30.3 t80 -60.92 -23.21 65.08 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 116.453 -0.34 . . . . 61.11 110.768 -174.361 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . 0.46 ' O ' ' HG3' ' B' ' 63' ' ' LYS . 8.7 mp -65.82 -45.81 80.9 Favored 'General case' 0 N--CA 1.463 0.202 0 N-CA-C 109.743 -0.466 . . . . 73.31 109.743 175.298 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 60' ' ' SER . . . . . 0.532 ' HA ' ' HD3' ' B' ' 63' ' ' LYS . 35.6 t -59.89 -43.54 94.72 Favored 'General case' 0 C--O 1.239 0.538 0 CA-C-O 121.332 0.587 . . . . 73.23 109.5 176.025 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . 0.414 ' O ' HG21 ' B' ' 65' ' ' VAL . . . -57.92 -41.54 82.91 Favored 'General case' 0 N--CA 1.457 -0.101 0 CA-C-N 115.484 -0.78 . . . . 44.1 110.123 176.408 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 62' ' ' MET . . . . . 0.501 ' SD ' ' HB2' ' B' ' 118' ' ' ALA . 81.9 mmm -67.75 -31.84 72.03 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-N 116.107 -0.497 . . . . 71.0 110.968 178.364 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . 0.532 ' HD3' ' HA ' ' B' ' 60' ' ' SER . 62.0 mtpt -65.96 -41.17 91.57 Favored 'General case' 0 C--O 1.234 0.242 0 N-CA-C 109.803 -0.443 . . . . 72.03 109.803 177.393 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 61.1 t80 -68.93 -46.83 67.23 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 116.227 -0.442 . . . . 73.11 110.276 175.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . 0.414 HG21 ' O ' ' B' ' 61' ' ' ALA . 42.0 t -54.86 -48.55 74.05 Favored 'Isoleucine or valine' 0 C--O 1.233 0.205 0 CA-C-N 116.193 -0.458 . . . . 75.05 110.54 178.38 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -58.53 -32.16 68.6 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.939 -0.573 . . . . 74.13 110.214 178.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -67.33 -31.57 77.4 Favored Glycine 0 N--CA 1.449 -0.473 0 CA-C-N 115.34 -0.845 . . . . 75.04 112.214 -178.5 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -98.99 -13.04 20.07 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 121.382 0.61 . . . . 64.5 109.827 -179.555 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -92.82 1.48 57.26 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.353 -0.84 . . . . 65.21 110.508 176.524 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 63.34 29.55 15.68 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 115.503 -0.771 . . . . 73.12 111.297 175.102 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -127.12 166.06 18.37 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.969 -0.56 . . . . 74.24 110.657 179.565 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 11.1 p -124.93 134.62 52.58 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.308 -0.405 . . . . 74.12 110.715 179.451 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . 0.472 HD21 HD23 ' B' ' 103' ' ' LEU . 95.2 mt -109.59 144.26 29.5 Favored Pre-proline 0 C--N 1.33 -0.242 0 CA-C-N 116.33 -0.395 . . . . 75.15 110.894 -179.466 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 74' ' ' PRO . . . . . 0.557 ' HD2' HD11 ' B' ' 103' ' ' LEU . 23.5 Cg_exo -66.07 144.09 74.45 Favored 'Trans proline' 0 C--N 1.35 0.649 0 C-N-CA 123.053 2.502 . . . . 74.32 112.909 179.849 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -76.74 -22.08 54.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.603 0.716 . . . . 71.53 111.009 178.732 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -80.72 22.84 0.56 Allowed 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.161 -0.927 . . . . 60.22 111.493 -172.5 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 77' ' ' THR . . . . . 0.522 ' HA ' ' HD3' ' B' ' 104' ' ' PRO . 9.9 t -87.94 162.09 17.08 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-N 115.997 -0.547 . . . . 73.25 112.118 -175.296 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 1.2 p -150.92 152.37 33.52 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 115.238 -0.892 . . . . 71.23 110.697 -177.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 79' ' ' VAL . . . . . 0.412 ' CG2' HD11 ' B' ' 59' ' ' LEU . 59.8 t -136.78 157.86 36.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 N-CA-C 108.781 -0.822 . . . . 54.24 108.781 178.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 85.6 m -135.73 122.04 20.46 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 122.021 -0.424 . . . . 75.2 110.64 174.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 81' ' ' ALA . . . . . 0.47 ' HB3' ' HB3' ' B' ' 51' ' ' ALA . . . -104.05 111.08 23.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.681 -0.691 . . . . 73.43 109.894 178.249 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -113.99 110.85 20.7 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.647 -0.501 . . . . 71.23 109.647 -177.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . 0.412 ' O ' ' HG3' ' A' ' 6' ' ' LYS . 93.6 t -103.32 136.61 35.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.198 -0.455 . . . . 71.44 111.24 -174.089 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 84' ' ' GLY . . . . . . . . . . . . . . . -136.32 162.65 25.11 Favored Glycine 0 N--CA 1.441 -0.981 0 N-CA-C 111.522 -0.631 . . . . 52.45 111.522 177.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -145.23 134.84 18.3 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.827 0 N-CA-C 109.155 -0.683 . . . . 73.1 109.155 178.695 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -147.4 170.02 28.26 Favored Glycine 0 C--O 1.23 -0.128 0 N-CA-C 111.078 -0.809 . . . . 52.3 111.078 -179.477 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 87' ' ' PRO . . . . . 0.675 ' HD3' ' HG ' ' A' ' 4' ' ' LEU . 23.6 Cg_exo -61.93 129.99 29.42 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.379 2.053 . . . . 70.05 111.714 -177.724 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 88' ' ' ASN . . . . . 0.462 ' HB2' ' C ' ' B' ' 93' ' ' PHE . 47.9 t-20 -81.96 147.45 29.23 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.786 -0.643 . . . . 72.3 109.936 -178.798 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -61.34 -23.47 65.77 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.181 0.515 . . . . 71.21 110.162 177.404 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -67.07 -22.78 65.83 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 115.208 -0.906 . . . . 74.05 110.889 175.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.29 10.11 34.71 Favored Glycine 0 CA--C 1.52 0.36 0 CA-C-N 115.971 -0.559 . . . . 72.2 112.238 -175.544 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . -117.11 -126.55 3.8 Favored Glycine 0 CA--C 1.52 0.351 0 N-CA-C 111.545 -0.622 . . . . 70.13 111.545 177.262 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 93' ' ' PHE . . . . . 0.462 ' C ' ' HB2' ' B' ' 88' ' ' ASN . 18.4 m-85 -123.04 148.36 45.66 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.024 0.44 . . . . 73.12 110.617 179.148 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -128.59 127.73 42.85 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.714 -0.676 . . . . 62.21 109.361 179.767 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -96.28 143.02 27.73 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.044 0.45 . . . . 74.21 110.989 -177.202 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 96' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -128.6 110.3 12.12 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 114.958 -1.019 . . . . 73.53 109.264 -178.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 97' ' ' VAL . . . . . . . . . . . . . 51.7 t -114.23 110.73 33.16 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.041 0 CA-C-O 120.732 0.301 . . . . 65.34 110.245 -178.279 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -101.35 111.55 23.8 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.377 -0.374 . . . . 74.42 110.256 -177.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 88.9 mt -103.86 107.1 17.83 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-N 116.238 -0.437 . . . . 75.14 110.205 179.277 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 100' ' ' ARG . . . . . 0.513 ' HA ' HG12 ' B' ' 137' ' ' VAL . 53.2 ttt180 -99.42 119.8 38.57 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.015 -0.539 . . . . 70.24 109.933 -179.122 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 101' ' ' VAL . . . . . . . . . . . . . 93.7 t -103.68 106.41 20.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.351 -0.386 . . . . 60.12 111.322 -174.695 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -104.1 101.19 10.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.902 0.382 . . . . 53.32 110.264 176.55 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 103' ' ' LEU . . . . . 0.802 HD21 HD22 ' B' ' 106' ' ' LEU . 32.0 tp -110.84 122.66 37.5 Favored Pre-proline 0 C--N 1.329 -0.309 0 N-CA-C 108.783 -0.821 . . . . 72.24 108.783 178.823 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 104' ' ' PRO . . . . . 0.522 ' HD3' ' HA ' ' B' ' 77' ' ' THR . 70.7 Cg_endo -73.01 150.96 49.52 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.224 1.949 . . . . 74.24 112.348 -176.389 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 105' ' ' GLY . . . . . . . . . . . . . . . 66.72 14.78 63.37 Favored Glycine 0 CA--C 1.521 0.423 0 CA-C-N 115.539 -0.755 . . . . 72.34 112.886 -179.014 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 106' ' ' LEU . . . . . 0.802 HD22 HD21 ' B' ' 103' ' ' LEU . 26.6 tp -113.79 136.91 52.34 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-O 121.209 0.528 . . . . 65.44 111.133 -177.201 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -75.48 148.23 39.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.231 -0.895 . . . . 63.12 110.176 175.478 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 108' ' ' ALA . . . . . 0.404 ' O ' ' HG3' ' B' ' 112' ' ' LYS . . . -66.11 -41.52 90.46 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.878 0.371 . . . . 74.55 110.891 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -59.38 -46.82 87.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.027 -0.533 . . . . 64.51 110.295 178.727 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 110' ' ' ALA . . . . . 0.573 ' O ' HG21 ' B' ' 113' ' ' THR . . . -67.78 -39.91 84.04 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.692 -0.686 . . . . 72.03 110.24 178.126 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 111' ' ' ALA . . . . . 0.474 ' HA ' HD23 ' B' ' 106' ' ' LEU . . . -55.07 -43.94 74.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.851 -0.613 . . . . 64.14 110.829 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 112' ' ' LYS . . . . . 0.404 ' HG3' ' O ' ' B' ' 108' ' ' ALA . 53.9 mtpt -53.35 -42.31 66.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.687 -0.688 . . . . 74.45 111.663 178.732 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 113' ' ' THR . . . . . 0.573 HG21 ' O ' ' B' ' 110' ' ' ALA . 1.3 t -79.69 -35.22 39.44 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-O 120.709 0.29 . . . . 72.03 110.663 -176.326 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 114' ' ' LEU . . . . . 0.498 ' HG ' ' O ' ' B' ' 110' ' ' ALA . 51.4 mt -66.08 -49.18 68.51 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-O 120.935 0.398 . . . . 72.05 110.201 -179.257 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 115' ' ' VAL . . . . . 0.543 HG23 HG11 ' B' ' 138' ' ' VAL . 73.5 t -58.75 -40.38 79.49 Favored 'Isoleucine or valine' 0 C--O 1.239 0.534 0 CA-C-N 115.806 -0.634 . . . . 63.55 110.25 176.477 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -58.93 -61.44 2.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.405 -0.816 . . . . 75.43 111.053 -178.733 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 117' ' ' ARG . . . . . 0.437 ' HG2' ' O ' ' B' ' 113' ' ' THR . 15.9 ptm180 -61.38 -44.12 97.7 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 115.869 -0.605 . . . . 70.2 110.984 -177.141 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 118' ' ' ALA . . . . . 0.501 ' HB2' ' SD ' ' B' ' 62' ' ' MET . . . -58.6 -49.76 76.31 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-O 120.978 0.418 . . . . 61.11 111.363 -177.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 119' ' ' HIS . . . . . 0.459 ' CE1' HG13 ' B' ' 115' ' ' VAL . 65.6 m80 -74.83 -5.2 42.23 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.218 -0.446 . . . . 74.31 111.934 -175.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 13.6 t-80 -103.77 -34.73 8.46 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-O 120.61 0.243 . . . . 73.32 110.699 179.676 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 32.9 m -81.5 -30.33 10.85 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.26 0 CA-C-O 120.952 0.406 . . . . 73.14 110.416 178.08 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 122' ' ' CYS . . . . . . . . . . . . . 53.0 t -123.26 77.57 52.82 Favored Pre-proline 0 C--N 1.331 -0.234 0 N-CA-C 109.615 -0.513 . . . . 74.53 109.615 176.043 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 123' ' ' PRO . . . . . . . . . . . . . 87.2 Cg_endo -101.26 107.56 0.04 OUTLIER 'Trans proline' 0 N--CA 1.45 -1.046 0 C-N-CA 123.392 2.728 . . . . 65.25 113.198 -177.565 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 124' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -64.81 87.77 0.06 Allowed 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 108.938 -0.764 . . . . 65.35 108.938 170.792 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 125' ' ' SER . . . . . 0.474 ' O ' HG23 ' B' ' 128' ' ' THR . 49.6 m 66.39 107.84 0.04 OUTLIER 'General case' 0 CA--C 1.539 0.528 0 O-C-N 123.858 0.724 . . . . 64.23 111.582 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 126' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 -64.23 -38.03 89.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.794 -0.639 . . . . 74.24 110.013 176.317 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 127' ' ' ALA . . . . . 0.479 ' O ' ' HB3' ' B' ' 131' ' ' ASN . . . -68.29 1.13 3.13 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.419 -0.81 . . . . 74.33 111.848 -179.437 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 128' ' ' THR . . . . . 0.474 HG23 ' O ' ' B' ' 125' ' ' SER . 0.6 OUTLIER -111.44 -6.8 14.41 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-O 120.754 0.311 . . . . 64.4 110.608 179.479 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 129' ' ' ARG . . . . . . . . . . . . . 10.6 ptp180 -125.57 -40.51 2.08 Favored 'General case' 0 N--CA 1.463 0.193 0 N-CA-C 111.741 0.274 . . . . 75.21 111.741 -176.151 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 130' ' ' ASN . . . . . . . . . . . . . 55.7 m-80 -78.67 -36.84 43.14 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 121.145 0.498 . . . . 74.14 109.71 174.502 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 131' ' ' ASN . . . . . 0.479 ' HB3' ' O ' ' B' ' 127' ' ' ALA . 28.5 t-20 -81.95 -43.84 17.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.679 -0.691 . . . . 75.43 110.832 -179.474 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 132' ' ' VAL . . . . . 0.405 ' HB ' ' O ' ' B' ' 128' ' ' THR . 21.6 t -98.07 155.67 3.72 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.301 0 CA-C-N 116.082 -0.508 . . . . 62.31 110.49 -177.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 133' ' ' ALA . . . . . . . . . . . . . . . -79.68 103.1 9.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.308 0.575 . . . . 72.23 111.279 -177.481 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 134' ' ' VAL . . . . . . . . . . . . . 46.8 t -123.73 110.46 25.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.483 -0.78 . . . . 64.53 110.039 177.202 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 82.1 mtt180 -76.62 114.43 15.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.97 -0.559 . . . . 74.32 110.407 -179.231 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 33.7 mt -91.46 109.1 20.39 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.335 -0.617 . . . . 72.41 109.335 170.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 137' ' ' VAL . . . . . 0.513 HG12 ' HA ' ' B' ' 100' ' ' ARG . 0.2 OUTLIER -125.95 128.88 72.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.731 -0.668 . . . . 74.23 110.441 -175.216 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 138' ' ' VAL . . . . . 0.543 HG11 HG23 ' B' ' 115' ' ' VAL . 3.1 m -98.71 138.35 23.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 115.937 -0.574 . . . . 70.52 110.076 -179.292 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 139' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.045 0 CA-C-N 115.704 -0.68 . . . . 71.35 110.511 -176.631 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.508 ' SD ' ' HB2' ' B' ' 96' ' ' ASP . 25.7 ptm . . . . . 0 N--CA 1.487 1.42 0 CA-C-O 121.03 0.443 . . . . 71.43 110.791 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.41 ' O ' ' HA3' ' B' ' 86' ' ' GLY . 49.7 t30 -91.11 84.15 5.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.807 -0.633 . . . . 75.52 109.631 -178.868 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.509 HG21 ' HB2' ' A' ' 6' ' ' LYS . 27.0 mm -76.67 131.49 34.75 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-N 115.838 -0.619 . . . . 51.02 112.367 -178.429 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.667 ' HG ' ' HD3' ' B' ' 87' ' ' PRO . 81.7 mt -90.93 -44.06 9.6 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-N 115.216 -0.902 . . . . 74.21 109.723 172.307 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 23.6 t80 -136.04 129.63 32.27 Favored 'General case' 0 C--O 1.221 -0.403 0 CA-C-N 115.582 -0.735 . . . . 73.42 109.911 -177.537 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.509 ' HB2' HG21 ' A' ' 3' ' ' ILE . 28.1 ttmt -142.28 132.65 24.99 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.026 0.441 . . . . 62.42 110.125 174.698 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 12.3 t -134.53 149.8 50.7 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.389 -0.823 . . . . 73.02 109.865 -178.309 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.454 ' HA ' ' HA ' ' B' ' 82' ' ' GLU . . . -112.57 151.3 30.21 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-O 121.128 0.49 . . . . 64.34 111.685 -174.02 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.462 ' HA ' ' H ' ' A' ' 22' ' ' HIS . . . -143.66 126.88 16.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.847 -0.615 . . . . 73.03 110.08 176.287 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.474 HG23 ' HB ' ' A' ' 20' ' ' THR . 4.8 t -99.41 137.06 38.45 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.465 -0.334 . . . . 73.43 110.114 178.68 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 58.7 p -126.06 113.52 17.2 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.122 0.487 . . . . 74.42 110.495 179.138 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 4.9 m -106.4 161.91 14.16 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.169 -0.469 . . . . 72.12 110.746 -178.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -79.52 72.93 2.46 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 121.017 -0.611 . . . . 62.44 111.727 174.463 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -60.08 -101.78 0.01 OUTLIER Glycine 0 C--N 1.338 0.667 0 C-N-CA 121.455 -0.402 . . . . 62.02 112.368 178.258 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 10.3 tpt180 -82.72 -54.6 5.01 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 108.985 -0.746 . . . . 73.04 108.985 174.504 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.508 ' HB3' ' HA ' ' A' ' 31' ' ' SER . 22.0 t70 -125.62 -41.8 1.98 Allowed 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 107.764 -1.199 . . . . 74.22 107.764 169.176 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -154.56 159.33 28.86 Favored Glycine 0 N--CA 1.445 -0.733 0 CA-C-N 115.273 -0.876 . . . . 73.12 110.912 170.38 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.586 ' HA ' ' HA ' ' A' ' 29' ' ' LYS . 56.4 ttp180 -137.6 147.69 45.24 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 109.346 -0.612 . . . . 73.24 109.346 176.799 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.437 ' HB2' ' HB1' ' B' ' 56' ' ' ALA . . . -130.44 123.55 30.03 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.855 -0.424 . . . . 71.12 109.855 177.104 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.474 ' HB ' HG23 ' A' ' 10' ' ' THR . 27.9 m -133.27 111.01 10.49 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.69 -0.686 . . . . 65.23 110.039 -179.221 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.466 ' HB3' ' N ' ' A' ' 26' ' ' LEU . 44.8 t -68.47 108.73 3.39 Favored 'General case' 0 C--O 1.246 0.875 0 N-CA-C 107.49 -1.3 . . . . 62.3 107.49 177.53 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.462 ' H ' ' HA ' ' A' ' 9' ' ' ALA . 31.8 t60 -56.16 -23.52 35.44 Favored 'General case' 0 N--CA 1.47 0.528 0 O-C-N 125.783 1.927 . . . . 71.44 112.563 -165.19 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.439 ' CB ' ' HE3' ' A' ' 25' ' ' LYS . 4.2 m-20 -80.3 19.46 0.76 Allowed 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 109.708 -0.479 . . . . 73.43 109.708 179.578 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.449 ' H ' ' C ' ' A' ' 22' ' ' HIS . 29.7 mm-40 69.87 16.59 7.72 Favored 'General case' 0 CA--C 1.519 -0.229 0 CA-C-N 115.192 -0.913 . . . . 72.53 110.03 176.66 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.439 ' HE3' ' CB ' ' A' ' 23' ' ' ASP . 95.1 mttt -78.62 -35.33 45.71 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-N 115.113 -0.949 . . . . 73.44 111.003 -178.646 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.466 ' N ' ' HB3' ' A' ' 21' ' ' SER . 56.0 tp -145.69 147.85 32.4 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 120.141 -0.624 . . . . 74.42 111.634 -175.541 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -156.96 94.89 1.47 Allowed 'General case' 0 N--CA 1.463 0.219 0 O-C-N 123.558 0.536 . . . . 74.5 110.413 177.026 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 4.3 m -145.01 177.3 1.78 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.422 0 CA-C-N 116.264 -0.425 . . . . 62.12 110.685 177.181 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.657 ' HZ1' ' HB3' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -131.42 147.32 52.55 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.249 -0.432 . . . . 62.42 110.733 -176.904 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.651 ' HA ' ' H ' ' A' ' 44' ' ' THR . 0.0 OUTLIER -130.32 165.78 21.78 Favored 'General case' 0 C--O 1.244 0.773 0 CA-C-N 116.205 -0.452 . . . . 73.21 110.802 178.8 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.508 ' HA ' ' HB3' ' A' ' 16' ' ' ASP . 47.2 m -161.09 177.44 10.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.874 -0.603 . . . . 75.34 110.278 -175.304 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.438 ' O ' ' HA3' ' A' ' 38' ' ' GLY . . . -88.79 149.05 42.96 Favored Pre-proline 0 C--N 1.326 -0.454 0 CA-C-N 115.885 -0.598 . . . . 52.21 110.139 179.857 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.507 ' HG3' ' ND2' ' A' ' 45' ' ' ASN . 31.3 Cg_exo -61.35 125.12 16.12 Favored 'Trans proline' 0 C--O 1.234 0.306 0 C-N-CA 122.584 2.189 . . . . 73.33 112.38 -179.316 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.423 ' HG2' ' HA2' ' A' ' 40' ' ' GLY . 0.5 OUTLIER -52.2 -27.75 15.8 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 120.847 0.356 . . . . 64.52 110.834 173.586 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 17.3 mp0 -56.78 -34.76 67.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.567 -0.742 . . . . 75.14 110.569 176.657 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 72.4 mt -107.53 14.97 25.27 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.846 -0.615 . . . . 73.53 110.809 -176.616 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.32 36.44 8.83 Favored Glycine 0 CA--C 1.519 0.309 0 C-N-CA 121.06 -0.59 . . . . 72.22 112.576 179.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.438 ' HA3' ' O ' ' A' ' 32' ' ' ALA . . . -66.7 -7.63 42.61 Favored Glycine 0 C--N 1.334 0.451 0 C-N-CA 121.559 -0.353 . . . . 73.44 113.559 -179.823 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . 77.07 -0.65 2.92 Favored 'General case' 0 N--CA 1.448 -0.572 0 C-N-CA 123.737 0.815 . . . . 63.22 111.352 172.367 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.423 ' HA2' ' HG2' ' A' ' 34' ' ' ARG . . . 102.76 102.23 2.67 Favored Glycine 0 N--CA 1.433 -1.5 0 CA-C-N 115.107 -0.951 . . . . 45.53 113.787 163.795 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -164.55 146.14 8.28 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.85 -0.426 . . . . 51.12 109.85 173.411 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -101.24 35.82 2.15 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.867 -0.606 . . . . 71.23 110.517 -177.626 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -82.64 -123.9 0.82 Allowed Glycine 0 CA--C 1.521 0.428 0 CA-C-N 115.703 -0.68 . . . . 55.55 112.559 -179.372 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.651 ' H ' ' HA ' ' A' ' 30' ' ' LEU . 92.5 m -140.87 151.31 44.19 Favored 'General case' 0 N--CA 1.45 -0.46 0 N-CA-C 109.964 -0.384 . . . . 74.01 109.964 -178.566 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.507 ' ND2' ' HG3' ' A' ' 33' ' ' PRO . 1.1 m-20 -84.73 139.5 37.74 Favored Pre-proline 0 CA--C 1.534 0.332 0 N-CA-C 110.044 -0.354 . . . . 72.33 110.044 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.598 ' HB3' ' SG ' ' B' ' 57' ' ' CYS . 38.4 Cg_exo -58.86 -59.75 0.43 Allowed 'Trans proline' 0 CA--C 1.536 0.596 0 C-N-CA 123.204 2.603 . . . . 63.04 113.176 -177.044 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.428 ' CD ' ' H ' ' A' ' 47' ' ' GLU . 2.8 mp0 -56.16 -39.7 72.71 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-O 121.733 0.778 . . . . 62.13 109.48 -179.052 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.436 ' HB3' ' HB2' ' A' ' 45' ' ' ASN . 25.5 tt0 -61.76 -41.11 97.27 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 114.426 -1.261 . . . . 74.41 110.813 178.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.456 HD12 ' HA3' ' B' ' 53' ' ' GLY . 2.5 tm? -65.27 -49.35 69.88 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 115.74 -0.664 . . . . 71.11 109.701 -178.702 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 61.2 t80 -60.61 -44.2 96.58 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 116.346 -0.388 . . . . 65.21 110.369 177.69 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.441 ' HB3' HG11 ' A' ' 83' ' ' VAL . . . -54.08 -53.01 58.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 52.03 111.436 177.855 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.39 -45.59 93.0 Favored 'General case' 0 C--O 1.236 0.342 0 CA-C-N 116.083 -0.508 . . . . 73.32 110.613 -179.514 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.502 ' HA3' HD11 ' B' ' 49' ' ' LEU . . . -65.13 -37.4 94.08 Favored Glycine 0 N--CA 1.449 -0.463 0 CA-C-N 115.784 -0.644 . . . . 45.35 112.46 -179.812 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.424 ' HE1' ' SG ' ' A' ' 122' ' ' CYS . 4.7 t80 -75.24 -37.78 60.87 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 122.25 0.22 . . . . 74.55 110.739 -177.446 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.506 ' HB3' ' HB3' ' A' ' 81' ' ' ALA . 17.0 p -66.3 -44.02 84.67 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.012 0.434 . . . . 73.1 109.845 177.273 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.507 ' HB1' HD23 ' B' ' 30' ' ' LEU . . . -64.24 -40.2 95.54 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 115.857 -0.61 . . . . 72.41 110.301 175.283 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.729 ' SG ' ' HB3' ' B' ' 46' ' ' PRO . 44.0 t -62.7 -36.65 83.64 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.606 -0.724 . . . . 74.4 110.274 176.625 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -64.0 -40.7 96.95 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.988 -0.551 . . . . 74.24 109.623 -178.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 85.6 mt -65.01 -43.34 92.81 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.569 -0.742 . . . . 74.12 110.285 176.542 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 34.7 m -62.24 -44.67 96.02 Favored 'General case' 0 C--O 1.239 0.544 0 CA-C-N 115.841 -0.618 . . . . 74.4 110.198 178.214 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -60.76 -47.2 87.37 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-N 115.315 -0.857 . . . . 64.15 110.05 178.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 85.2 mmm -62.23 -34.61 76.83 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.253 -0.43 . . . . 61.32 110.954 178.701 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 8.3 ttpm? -65.42 -43.41 90.64 Favored 'General case' 0 C--O 1.233 0.214 0 N-CA-C 109.969 -0.382 . . . . 62.32 109.969 178.559 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 77.4 t80 -67.04 -49.09 66.3 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 116.18 -0.464 . . . . 70.35 110.602 177.332 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 53.4 t -55.65 -48.34 77.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.041 -0.527 . . . . 51.41 110.892 -179.431 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -56.39 -31.2 63.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.092 0.473 . . . . 55.45 110.488 178.364 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -71.51 -31.71 65.32 Favored Glycine 0 CA--C 1.518 0.243 0 CA-C-N 115.424 -0.807 . . . . 65.01 112.448 -178.344 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -96.2 -12.89 23.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.424 0.631 . . . . 73.33 109.365 179.705 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.406 ' HB3' ' HG2' ' A' ' 71' ' ' GLN . 0.9 OUTLIER -90.47 -5.2 56.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.143 -0.935 . . . . 73.35 110.274 175.88 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 58.33 26.55 14.15 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 115.724 -0.671 . . . . 70.5 110.904 178.155 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.457 HE22 HD21 ' A' ' 73' ' ' LEU . 2.3 pt20 -117.38 161.36 19.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.772 -0.649 . . . . 65.11 109.978 179.296 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 3.4 p -115.83 139.28 50.34 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.909 0.385 . . . . 71.13 110.982 -179.661 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.457 HD21 HE22 ' A' ' 71' ' ' GLN . 94.0 mt -109.4 137.86 20.38 Favored Pre-proline 0 C--N 1.326 -0.415 0 CA-C-N 115.957 -0.565 . . . . 64.52 109.575 178.152 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.59 ' HB2' ' HG2' ' A' ' 104' ' ' PRO . 32.2 Cg_exo -59.78 138.81 85.19 Favored 'Trans proline' 0 C--N 1.349 0.569 0 C-N-CA 122.722 2.281 . . . . 75.32 112.44 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -77.16 2.18 16.12 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.205 0.446 . . . . 74.43 112.205 -176.685 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.411 ' HB3' ' HG3' ' A' ' 104' ' ' PRO . 27.8 t70 -95.06 1.51 55.07 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.371 0.605 . . . . 72.44 110.707 -178.844 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 9.6 t -72.36 152.72 41.89 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.722 -0.672 . . . . 74.0 111.685 -175.431 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 29.5 m -154.2 150.67 28.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.792 -0.64 . . . . 72.13 110.049 -178.564 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 79.2 t -129.49 121.33 52.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 N-CA-C 110.008 -0.367 . . . . 73.54 110.008 177.273 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 21.0 m -102.74 111.07 23.22 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.096 -0.502 . . . . 61.0 110.316 179.207 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.506 ' HB3' ' HB3' ' A' ' 55' ' ' SER . . . -93.69 106.49 18.46 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.052 -0.522 . . . . 75.0 109.975 178.078 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.421 ' HA ' ' HA ' ' B' ' 8' ' ' ALA . 34.8 tt0 -110.15 108.59 18.8 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.491 -0.559 . . . . 75.53 109.491 -178.823 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.441 HG11 ' HB3' ' A' ' 51' ' ' ALA . 21.8 m -108.9 144.96 16.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.978 0.418 . . . . 74.25 111.049 -173.725 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.432 ' HA2' ' HA ' ' B' ' 6' ' ' LYS . . . -142.3 165.93 26.55 Favored Glycine 0 N--CA 1.446 -0.689 0 CA-C-N 115.722 -0.672 . . . . 64.22 111.868 -179.346 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -145.45 131.65 14.21 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 N-CA-C 109.773 -0.454 . . . . 71.32 109.773 -178.384 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -148.47 169.9 29.02 Favored Glycine 0 N--CA 1.453 -0.193 0 CA-C-N 115.251 -0.886 . . . . 64.2 111.422 177.329 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . 0.703 ' HD3' ' HG ' ' B' ' 4' ' ' LEU . 2.8 Cg_endo -79.29 123.01 5.37 Favored 'Trans proline' 0 N--CA 1.458 -0.577 0 C-N-CA 122.89 2.393 . . . . 75.13 111.75 -179.3 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . 0.48 ' HB2' ' HB1' ' A' ' 94' ' ' ALA . 47.7 t30 -70.95 149.24 46.89 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.126 -0.488 . . . . 63.43 110.092 177.26 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -62.05 -19.01 62.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.294 -0.412 . . . . 74.31 111.357 -177.19 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -67.19 -21.8 65.77 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.041 -0.527 . . . . 62.35 111.135 178.05 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.24 35.17 3.45 Favored Glycine 0 C--N 1.328 0.109 0 N-CA-C 111.49 -0.644 . . . . 52.42 111.49 -176.254 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -144.41 -154.66 6.2 Favored Glycine 0 N--CA 1.451 -0.343 0 N-CA-C 111.082 -0.807 . . . . 74.12 111.082 179.457 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 37.4 m-85 -100.38 166.25 11.05 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 117.097 0.448 . . . . 72.25 110.485 178.19 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.48 ' HB1' ' HB2' ' A' ' 88' ' ' ASN . . . -152.22 126.26 9.14 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.755 -0.657 . . . . 73.43 109.462 175.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -99.91 122.46 42.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.739 -0.664 . . . . 75.45 110.307 -178.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -110.09 112.02 23.75 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.344 -0.844 . . . . 62.1 109.686 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.426 ' O ' ' HA ' ' A' ' 134' ' ' VAL . 60.1 t -111.46 110.83 33.63 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.795 0 CA-C-N 116.133 -0.485 . . . . 41.42 110.363 -178.769 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -101.15 109.28 21.13 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.594 -0.521 . . . . 52.25 109.594 179.767 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 74.8 mt -100.41 112.57 24.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.489 -0.323 . . . . 73.33 110.429 -177.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.54 ' HA ' ' O ' ' A' ' 137' ' ' VAL . 98.1 mtt180 -99.27 113.76 26.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.486 . . . . 73.43 109.992 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 44.1 t -107.36 97.8 6.13 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-N 116.304 -0.407 . . . . 72.23 110.316 -175.482 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -91.83 101.35 13.93 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.843 0.354 . . . . 73.1 110.1 179.722 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.757 HD22 HD22 ' A' ' 106' ' ' LEU . 25.8 tp -115.07 107.32 50.11 Favored Pre-proline 0 C--N 1.328 -0.364 0 N-CA-C 108.567 -0.901 . . . . 73.31 108.567 177.304 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . 0.59 ' HG2' ' HB2' ' A' ' 74' ' ' PRO . 55.7 Cg_endo -70.73 148.97 59.96 Favored 'Trans proline' 0 C--O 1.233 0.265 0 C-N-CA 122.881 2.387 . . . . 73.52 112.788 -171.667 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 77.57 4.19 84.34 Favored Glycine 0 CA--C 1.518 0.277 0 CA-C-N 115.463 -0.79 . . . . 54.45 112.245 -179.074 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.757 HD22 HD22 ' A' ' 103' ' ' LEU . 18.2 tp -113.96 141.34 47.52 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 122.784 0.434 . . . . 65.03 111.045 -175.81 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -78.29 143.38 37.04 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 115.808 -0.633 . . . . 72.42 110.62 176.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -58.88 -37.77 77.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.322 -0.399 . . . . 74.35 111.021 178.406 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -57.28 -47.68 80.84 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 115.958 -0.565 . . . . 64.13 111.32 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . 0.538 ' O ' HG23 ' A' ' 113' ' ' THR . . . -75.94 -37.21 58.93 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-O 121.299 0.571 . . . . 73.25 110.172 179.243 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . 0.421 ' HA ' HD23 ' A' ' 106' ' ' LEU . . . -55.5 -39.62 70.68 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.439 -0.801 . . . . 54.13 110.717 179.768 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 57.0 mmtt -54.73 -42.25 71.35 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.99 -0.55 . . . . 74.23 111.35 177.379 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' THR . . . . . 0.538 HG23 ' O ' ' A' ' 110' ' ' ALA . 0.8 OUTLIER -77.21 -34.89 56.01 Favored 'General case' 0 CA--C 1.529 0.17 0 CA-C-O 120.711 0.291 . . . . 74.22 110.527 -177.695 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 56.2 mt -65.77 -49.8 67.05 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-O 120.878 0.371 . . . . 61.01 110.52 179.751 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . 0.428 HG23 HG12 ' A' ' 138' ' ' VAL . 57.4 t -65.46 -33.12 61.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.142 -0.481 . . . . 72.22 110.352 178.481 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -60.68 -61.05 2.87 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.885 -0.598 . . . . 65.51 110.031 178.72 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 6.4 ptm180 -61.15 -39.12 88.89 Favored 'General case' 0 CA--C 1.527 0.092 0 CA-C-N 115.953 -0.567 . . . . 65.24 110.488 -177.708 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -60.22 -52.62 64.54 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-O 120.899 0.38 . . . . 63.41 111.1 179.556 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 82.8 t60 -73.03 -14.1 61.35 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-O 120.965 0.412 . . . . 74.13 110.406 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 19.7 t60 -84.63 -31.42 24.24 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 115.855 -0.611 . . . . 75.14 110.689 178.331 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 32.8 m -96.5 -4.97 9.98 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.385 0 CA-C-N 116.711 -0.222 . . . . 74.54 111.303 -179.645 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' CYS . . . . . 0.424 ' SG ' ' HE1' ' A' ' 54' ' ' TYR . 50.9 t -65.12 114.74 16.31 Favored Pre-proline 0 CA--C 1.533 0.325 0 CA-C-N 116.273 -0.421 . . . . 72.12 110.094 178.461 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_endo -85.95 24.13 0.78 Allowed 'Trans proline' 0 C--N 1.35 0.634 0 C-N-CA 123.101 2.534 . . . . 75.04 113.938 -171.621 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . 0.524 ' O ' ' HB2' ' A' ' 125' ' ' SER . 7.4 m-85 -69.08 -35.58 76.66 Favored 'General case' 0 N--CA 1.464 0.245 0 C-N-CA 120.932 -0.307 . . . . 65.44 110.278 175.135 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' SER . . . . . 0.524 ' HB2' ' O ' ' A' ' 124' ' ' TYR . 22.6 t 166.37 148.96 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.15 0 O-C-N 124.129 0.893 . . . . 65.33 109.41 175.49 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' ASN . . . . . 0.544 ' O ' ' HG2' ' A' ' 129' ' ' ARG . 96.4 m-20 -63.83 -31.35 72.49 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 108.473 -0.936 . . . . 73.42 108.473 170.009 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . 0.444 ' O ' HG23 ' A' ' 132' ' ' VAL . . . -61.59 -3.1 0.92 Allowed 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.038 -0.983 . . . . 54.1 112.209 179.594 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' THR . . . . . 0.428 HG23 ' O ' ' A' ' 125' ' ' SER . 4.3 t -87.39 -7.56 57.59 Favored 'General case' 0 CA--C 1.519 -0.237 0 N-CA-C 108.212 -1.032 . . . . 73.21 108.212 -174.08 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . 0.544 ' HG2' ' O ' ' A' ' 126' ' ' ASN . 8.6 ptp85 -132.98 -46.66 0.85 Allowed 'General case' 0 N--CA 1.438 -1.044 0 CA-C-N 114.498 -1.228 . . . . 72.04 111.074 -177.511 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 6.5 m120 -78.97 -35.7 42.65 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-O 120.817 0.341 . . . . 71.52 111.751 -176.02 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -99.01 -38.18 9.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 72.12 110.79 -173.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . 0.444 HG23 ' O ' ' A' ' 127' ' ' ALA . 95.6 t -100.12 134.17 40.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.79 0.329 . . . . 70.22 110.34 -174.759 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -77.0 94.71 4.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.226 0.536 . . . . 45.42 110.446 -179.581 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . 0.426 ' HA ' ' O ' ' A' ' 97' ' ' VAL . 52.8 t -111.74 109.61 29.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.623 -0.717 . . . . 75.02 110.35 178.191 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 17.2 mtm180 -83.66 111.57 19.25 Favored 'General case' 0 C--O 1.236 0.391 0 N-CA-C 109.529 -0.545 . . . . 74.34 109.529 178.413 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . 0.416 HD23 ' HA ' ' A' ' 136' ' ' LEU . 70.3 mt -87.86 102.57 14.82 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-O 121.575 0.702 . . . . 50.04 111.318 -177.66 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . 0.54 ' O ' ' HA ' ' A' ' 100' ' ' ARG . 0.2 OUTLIER -105.97 115.33 47.44 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-N 114.803 -1.09 . . . . 74.42 109.705 179.168 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . 0.428 HG12 HG23 ' A' ' 115' ' ' VAL . 5.7 m -94.21 138.84 19.64 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 CA-C-N 115.798 -0.637 . . . . 71.15 109.874 -178.416 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.312 -1.056 0 CA-C-N 115.331 -0.85 . . . . 73.13 110.862 -175.057 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.441 ' HE3' ' HB3' ' A' ' 94' ' ' ALA . 27.8 ptm . . . . . 0 C--O 1.236 0.361 0 CA-C-O 120.974 0.416 . . . . 72.42 110.924 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 36.3 t30 -99.26 83.82 2.91 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.734 -0.666 . . . . 61.35 109.797 179.525 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . 0.5 HG23 ' HB2' ' B' ' 6' ' ' LYS . 25.8 mm -71.5 125.39 29.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-O 121.241 0.543 . . . . 72.42 111.516 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . 0.703 ' HG ' ' HD3' ' A' ' 87' ' ' PRO . 87.1 mt -83.17 -45.43 13.92 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.317 -0.856 . . . . 75.25 109.534 174.43 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 5' ' ' TYR . . . . . . . . . . . . . 45.2 t80 -141.23 129.84 22.74 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.006 -0.543 . . . . 75.45 110.752 -179.351 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . 0.5 ' HB2' HG23 ' B' ' 3' ' ' ILE . 30.8 ttmt -138.04 136.94 37.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.283 -0.417 . . . . 65.01 110.349 175.611 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 10.3 t -133.63 162.39 32.05 Favored 'General case' 0 C--O 1.239 0.505 0 CA-C-N 115.798 -0.637 . . . . 73.02 109.922 178.451 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . 0.421 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . . . -124.19 148.44 47.26 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 121.454 0.645 . . . . 64.22 111.784 -173.617 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . 0.612 ' HA ' ' H ' ' B' ' 22' ' ' HIS . . . -133.89 136.0 44.03 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.565 -0.743 . . . . 71.2 109.689 175.79 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 31.9 m -117.68 108.54 15.54 Favored 'General case' 0 N--CA 1.443 -0.819 0 N-CA-C 109.118 -0.697 . . . . 64.31 109.118 -174.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 70.8 m -112.58 117.35 32.07 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 115.963 -0.562 . . . . 74.14 110.528 -176.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 2.9 m -98.92 156.5 16.86 Favored 'General case' 0 C--O 1.242 0.682 0 CA-C-N 115.904 -0.589 . . . . 73.24 111.349 -175.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -73.75 72.77 1.26 Allowed Glycine 0 N--CA 1.446 -0.691 0 CA-C-N 115.728 -0.669 . . . . 71.12 111.714 174.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -63.67 -175.68 3.63 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 121.308 -0.472 . . . . 73.4 112.345 176.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -49.77 -38.87 35.86 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 120.879 0.371 . . . . 65.14 110.449 -177.859 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -125.7 -43.32 1.87 Allowed 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 108.348 -0.982 . . . . 65.33 108.348 171.261 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -169.71 161.84 35.22 Favored Glycine 0 C--N 1.341 0.824 0 N-CA-C 111.034 -0.827 . . . . 74.22 111.034 160.033 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 18' ' ' ARG . . . . . 0.463 ' HD3' ' O ' ' B' ' 28' ' ' VAL . 15.2 tpp85 -137.75 130.2 29.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 117.391 0.595 . . . . 74.4 110.203 176.862 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 19' ' ' ALA . . . . . 0.421 ' HB2' ' HB3' ' A' ' 56' ' ' ALA . . . -127.63 129.96 48.14 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.21 0.529 . . . . 64.31 110.274 177.253 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 85.4 m -139.24 110.06 6.74 Favored 'General case' 0 C--N 1.317 -0.813 0 N-CA-C 109.575 -0.528 . . . . 75.11 109.575 176.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 21' ' ' SER . . . . . 0.484 ' HB3' ' N ' ' B' ' 26' ' ' LEU . 32.5 t -65.88 108.64 2.22 Favored 'General case' 0 C--O 1.248 1.002 0 N-CA-C 107.158 -1.423 . . . . 74.21 107.158 178.005 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 22' ' ' HIS . . . . . 0.612 ' H ' ' HA ' ' B' ' 9' ' ' ALA . 4.9 t-80 -48.44 -38.16 19.05 Favored 'General case' 0 N--CA 1.468 0.451 0 O-C-N 125.98 2.05 . . . . 73.12 113.202 -163.864 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -79.97 25.82 0.36 Allowed 'General case' 0 C--N 1.315 -0.924 0 CA-C-O 121.02 0.438 . . . . 63.54 110.903 -174.259 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . 0.438 ' H ' ' C ' ' B' ' 22' ' ' HIS . 31.6 mm-40 67.83 26.98 7.51 Favored 'General case' 0 C--N 1.342 0.264 0 CA-C-N 115.299 -0.864 . . . . 71.43 110.028 175.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.527 ' HE2' ' HA ' ' B' ' 25' ' ' LYS . 12.0 mmpt? -87.76 -32.15 19.26 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-N 115.069 -0.968 . . . . 41.25 110.409 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . 0.484 ' N ' ' HB3' ' B' ' 21' ' ' SER . 39.7 tp -152.68 149.55 28.53 Favored 'General case' 0 CA--C 1.509 -0.604 0 C-N-CA 120.549 -0.46 . . . . 73.34 111.164 -178.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -157.59 90.75 1.11 Allowed 'General case' 0 N--CA 1.448 -0.555 0 CA-C-O 121.388 0.613 . . . . 53.33 111.067 -178.037 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . 0.463 ' O ' ' HD3' ' B' ' 18' ' ' ARG . 3.1 m -146.4 157.99 11.25 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.363 0 CA-C-O 121.737 0.779 . . . . 74.12 112.15 178.239 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.444 ' HA ' ' HA ' ' B' ' 18' ' ' ARG . 15.0 tttp -95.5 139.06 32.31 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 114.641 -1.163 . . . . 74.12 108.888 169.224 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . 0.62 ' HB2' ' O ' ' B' ' 44' ' ' THR . 0.0 OUTLIER -122.44 172.19 8.52 Favored 'General case' 0 C--O 1.254 1.3 0 CA-C-O 120.941 0.4 . . . . 72.32 110.052 176.799 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 31' ' ' SER . . . . . 0.448 ' OG ' ' HB3' ' B' ' 41' ' ' ALA . 11.8 m -154.01 135.51 14.26 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-N 115.618 -0.719 . . . . 62.35 111.371 -171.287 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 32' ' ' ALA . . . . . 0.689 ' O ' ' HD3' ' B' ' 34' ' ' ARG . . . -58.0 157.58 15.56 Favored Pre-proline 0 C--O 1.224 -0.279 0 N-CA-C 109.276 -0.639 . . . . 75.13 109.276 175.262 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 33' ' ' PRO . . . . . 0.411 ' O ' ' N ' ' B' ' 35' ' ' GLU . 49.0 Cg_exo -58.24 4.93 0.09 OUTLIER 'Trans proline' 0 CA--C 1.543 0.936 0 C-N-CA 123.087 2.524 . . . . 72.21 116.014 -170.174 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 34' ' ' ARG . . . . . 0.689 ' HD3' ' O ' ' B' ' 32' ' ' ALA . 1.3 mpp_? 60.74 -69.25 0.04 OUTLIER 'General case' 0 N--CA 1.475 0.825 0 CA-C-N 118.625 0.648 . . . . 71.43 112.384 -175.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . 0.411 ' N ' ' O ' ' B' ' 33' ' ' PRO . 11.6 mm-40 -36.73 -37.82 0.15 Allowed 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 124.009 0.924 . . . . 72.42 112.541 179.119 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . 0.435 HD22 HD11 ' B' ' 85' ' ' ILE . 2.8 mp -101.34 -27.94 12.89 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.95 -0.568 . . . . 63.52 111.125 -173.152 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 154.39 56.5 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.659 -0.781 . . . . 51.22 113.097 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . 0.421 ' HA2' ' HB1' ' B' ' 32' ' ' ALA . . . -104.8 -140.39 10.37 Favored Glycine 0 N--CA 1.438 -1.23 0 N-CA-C 110.022 -1.231 . . . . 64.12 110.022 170.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -134.5 -23.89 1.61 Allowed 'General case' 0 C--N 1.311 -1.078 0 N-CA-C 112.029 0.381 . . . . 71.25 112.029 -177.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 40' ' ' GLY . . . . . 0.495 ' HA2' ' HG2' ' B' ' 34' ' ' ARG . . . 113.04 101.12 2.49 Favored Glycine 0 CA--C 1.51 -0.273 0 C-N-CA 120.092 -1.051 . . . . 53.13 111.956 -176.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . 0.448 ' HB3' ' OG ' ' B' ' 31' ' ' SER . . . -173.26 171.23 4.1 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-O 120.833 0.349 . . . . 75.21 110.988 -179.006 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -103.81 20.09 18.73 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.884 -0.598 . . . . 74.14 110.135 -178.73 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -77.94 -168.16 31.52 Favored Glycine 0 N--CA 1.451 -0.311 0 CA-C-N 115.207 -0.906 . . . . 72.12 112.699 -179.191 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 44' ' ' THR . . . . . 0.62 ' O ' ' HB2' ' B' ' 30' ' ' LEU . 14.5 p -104.41 140.47 37.87 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 110.161 -0.311 . . . . 70.51 110.161 -177.294 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 45' ' ' ASN . . . . . 0.403 ' HB2' ' OE2' ' B' ' 47' ' ' GLU . 0.0 OUTLIER -92.13 152.99 43.15 Favored Pre-proline 0 C--N 1.324 -0.524 0 N-CA-C 109.886 -0.413 . . . . 71.14 109.886 178.741 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 46' ' ' PRO . . . . . 0.729 ' HB3' ' SG ' ' A' ' 57' ' ' CYS . 97.0 Cg_exo -45.62 -60.72 0.75 Allowed 'Trans proline' 0 C--N 1.352 0.731 0 C-N-CA 123.757 2.971 . . . . 54.41 114.252 -172.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 47' ' ' GLU . . . . . 0.448 ' HB2' HG23 ' B' ' 83' ' ' VAL . 0.0 OUTLIER -63.95 -31.34 72.49 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.163 -0.472 . . . . 73.03 110.683 -174.475 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . 0.4 ' HB2' HD21 ' B' ' 45' ' ' ASN . 30.1 tt0 -65.64 -46.6 78.58 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.629 -0.714 . . . . 65.22 110.482 179.018 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 49' ' ' LEU . . . . . 0.502 HD11 ' HA3' ' A' ' 53' ' ' GLY . 1.6 tm? -66.12 -44.59 83.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.565 -0.743 . . . . 73.15 109.513 -178.442 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 31.3 t80 -63.92 -42.26 97.44 Favored 'General case' 0 C--O 1.223 -0.303 0 CA-C-N 115.904 -0.589 . . . . 74.53 111.247 179.108 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.1 -51.28 70.27 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 120.842 0.353 . . . . 63.22 110.905 178.013 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -58.27 -50.54 73.21 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 115.996 -0.547 . . . . 74.31 110.909 178.745 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . 0.456 ' HA3' HD12 ' A' ' 49' ' ' LEU . . . -61.21 -45.61 96.16 Favored Glycine 0 N--CA 1.447 -0.574 0 CA-C-N 115.723 -0.671 . . . . 73.22 112.296 179.775 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 54' ' ' TYR . . . . . 0.683 ' HH ' ' HA ' ' B' ' 125' ' ' SER . 1.8 t80 -59.81 -47.43 85.75 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 122.464 0.306 . . . . 73.43 110.62 -178.687 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 55' ' ' SER . . . . . 0.644 ' HB3' ' HB1' ' B' ' 81' ' ' ALA . 23.1 p -62.57 -50.31 71.79 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-O 120.753 0.311 . . . . 71.55 110.464 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 56' ' ' ALA . . . . . 0.437 ' HB1' ' HB2' ' A' ' 19' ' ' ALA . . . -58.96 -39.86 82.96 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 116.098 -0.501 . . . . 72.32 111.182 179.057 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 57' ' ' CYS . . . . . 0.598 ' SG ' ' HB3' ' A' ' 46' ' ' PRO . 74.2 m -70.6 -36.48 73.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.938 -0.574 . . . . 72.4 110.099 178.778 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 59.8 t80 -64.7 -34.24 77.84 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.0 -0.545 . . . . 61.11 110.055 -177.567 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -56.52 -46.13 80.74 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.162 -0.681 . . . . 73.31 109.162 176.495 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 60' ' ' SER . . . . . 0.509 ' HA ' ' HE3' ' B' ' 63' ' ' LYS . 7.6 t -78.29 -33.42 49.48 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 115.923 -0.581 . . . . 73.23 110.63 -178.682 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -64.0 -50.75 67.28 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.287 -0.415 . . . . 44.1 110.365 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 62' ' ' MET . . . . . 0.687 ' HG3' HD12 ' B' ' 73' ' ' LEU . 16.5 tpt -66.26 -27.42 67.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.88 -0.6 . . . . 71.0 109.913 177.504 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . 0.509 ' HE3' ' HA ' ' B' ' 60' ' ' SER . 21.3 ttpp -65.85 -35.12 79.77 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 115.87 -0.605 . . . . 72.03 110.186 174.304 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 52.0 t80 -73.5 -40.21 64.25 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 121.002 0.429 . . . . 73.11 109.857 173.159 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 48.0 t -55.9 -43.92 76.23 Favored 'Isoleucine or valine' 0 C--O 1.232 0.154 0 CA-C-N 115.88 -0.6 . . . . 75.05 110.333 177.206 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -55.77 -30.68 61.68 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.844 -0.617 . . . . 74.13 110.518 178.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -68.82 -36.64 82.61 Favored Glycine 0 N--CA 1.451 -0.339 0 CA-C-N 115.657 -0.701 . . . . 75.04 112.224 -179.015 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -92.25 -16.32 26.31 Favored 'General case' 0 CA--C 1.52 -0.176 0 CA-C-O 121.713 0.768 . . . . 64.5 109.303 -178.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -91.39 -3.16 57.0 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 114.916 -1.038 . . . . 65.21 110.552 178.219 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 61.35 30.19 18.92 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 115.905 -0.589 . . . . 73.12 111.488 176.473 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -122.81 169.46 11.08 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.792 -0.64 . . . . 74.24 110.234 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 36.8 p -123.5 143.36 50.22 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.254 -0.43 . . . . 74.12 110.155 177.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . 0.687 HD12 ' HG3' ' B' ' 62' ' ' MET . 96.3 mt -109.27 137.97 20.36 Favored Pre-proline 0 C--N 1.326 -0.431 0 CA-C-N 116.481 -0.327 . . . . 75.15 110.202 179.133 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 74' ' ' PRO . . . . . 0.632 ' HD2' HD12 ' B' ' 103' ' ' LEU . 27.5 Cg_exo -64.14 146.92 91.35 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.879 2.386 . . . . 74.32 112.573 178.651 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -73.55 -16.62 61.26 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.664 0.745 . . . . 71.53 111.202 178.372 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -89.66 15.24 9.9 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 114.813 -1.085 . . . . 60.22 111.302 -170.094 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 77' ' ' THR . . . . . 0.478 ' HB ' HD11 ' B' ' 103' ' ' LEU . 10.2 t -90.51 165.5 13.76 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-O 121.087 0.47 . . . . 73.25 112.139 -174.147 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 15.9 m -155.71 149.29 25.02 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 115.65 -0.705 . . . . 71.23 109.913 178.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 69.1 t -125.56 127.05 71.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 N-CA-C 109.383 -0.599 . . . . 54.24 109.383 174.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 5.9 m -108.06 108.24 19.25 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 120.915 0.388 . . . . 75.2 110.364 179.627 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 81' ' ' ALA . . . . . 0.644 ' HB1' ' HB3' ' B' ' 55' ' ' SER . . . -93.32 106.7 18.63 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.937 -0.574 . . . . 73.43 109.593 178.123 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 82' ' ' GLU . . . . . 0.454 ' HA ' ' HA ' ' A' ' 8' ' ' ALA . 30.4 tt0 -109.18 107.58 17.9 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 109.001 -0.741 . . . . 71.23 109.001 178.203 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . 0.615 HG21 HG22 ' B' ' 97' ' ' VAL . 9.4 p -103.45 142.72 16.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.921 -0.581 . . . . 71.44 110.654 -173.38 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 84' ' ' GLY . . . . . 0.404 ' HA2' ' HA ' ' A' ' 6' ' ' LYS . . . -137.26 166.8 24.9 Favored Glycine 0 N--CA 1.438 -1.23 0 N-CA-C 111.489 -0.644 . . . . 52.45 111.489 178.687 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 85' ' ' ILE . . . . . 0.435 HD11 HD22 ' B' ' 36' ' ' LEU . 0.0 OUTLIER -147.95 137.98 16.68 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.935 0 N-CA-C 109.338 -0.616 . . . . 73.1 109.338 -179.436 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 86' ' ' GLY . . . . . 0.438 ' HA2' ' HG ' ' A' ' 4' ' ' LEU . . . -151.0 169.84 30.74 Favored Glycine 0 CA--C 1.517 0.208 0 O-C-N 123.899 0.75 . . . . 52.3 111.376 -178.858 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 87' ' ' PRO . . . . . 0.667 ' HD3' ' HG ' ' A' ' 4' ' ' LEU . 1.1 Cg_endo -80.27 126.17 6.11 Favored 'Trans proline' 0 N--CA 1.457 -0.654 0 C-N-CA 122.642 2.228 . . . . 70.05 111.748 -176.535 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 88' ' ' ASN . . . . . . . . . . . . . 24.0 t-20 -83.29 144.98 29.35 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.186 -0.672 . . . . 72.3 109.186 173.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -62.03 -16.16 49.76 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.486 -0.325 . . . . 71.21 111.837 -175.596 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -67.76 -22.5 65.21 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-O 121.374 0.607 . . . . 74.05 110.775 177.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.49 35.49 3.31 Favored Glycine 0 N--CA 1.452 -0.273 0 CA-C-N 115.718 -0.673 . . . . 72.2 112.03 -177.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . -143.51 -171.09 13.57 Favored Glycine 0 N--CA 1.45 -0.392 0 N-CA-C 111.026 -0.83 . . . . 70.13 111.026 177.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 93' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -100.86 144.14 30.17 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 117.206 0.503 . . . . 73.12 110.49 177.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -126.7 132.09 51.23 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.929 -0.578 . . . . 62.21 109.659 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -96.81 132.82 42.15 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.165 -0.47 . . . . 74.21 110.692 -177.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 96' ' ' ASP . . . . . 0.508 ' HB2' ' SD ' ' A' ' 1' ' ' MET . 35.4 t70 -121.19 110.05 15.71 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.16 -0.927 . . . . 73.53 109.273 178.35 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 97' ' ' VAL . . . . . 0.677 ' HB ' HG21 ' B' ' 134' ' ' VAL . 45.3 t -108.65 110.53 32.39 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.962 0 C-N-CA 120.688 -0.405 . . . . 65.34 110.895 -176.613 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 98' ' ' GLU . . . . . 0.443 ' HG2' ' HD3' ' B' ' 135' ' ' ARG . 46.3 mt-10 -88.28 102.7 15.1 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.465 -0.568 . . . . 74.42 109.465 175.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 99' ' ' LEU . . . . . 0.408 ' HA ' HD12 ' B' ' 99' ' ' LEU . 13.5 tp -97.75 106.76 19.11 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.329 -0.619 . . . . 75.14 109.329 -179.09 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 100' ' ' ARG . . . . . 0.606 ' HA ' ' O ' ' B' ' 137' ' ' VAL . 74.3 mtt180 -101.47 117.54 35.15 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.451 -0.795 . . . . 70.24 111.024 -173.205 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 101' ' ' VAL . . . . . . . . . . . . . 88.5 t -102.58 107.56 22.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.886 -0.597 . . . . 60.12 110.867 -176.422 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 102' ' ' ALA . . . . . 0.42 ' HA ' ' HB3' ' B' ' 139' ' ' ALA . . . -103.59 101.52 11.39 Favored 'General case' 0 C--O 1.236 0.343 0 N-CA-C 109.756 -0.461 . . . . 53.32 109.756 176.377 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 103' ' ' LEU . . . . . 0.745 HD23 HD22 ' B' ' 106' ' ' LEU . 27.3 tp -119.34 118.19 32.64 Favored Pre-proline 0 C--N 1.327 -0.39 0 N-CA-C 109.634 -0.506 . . . . 72.24 109.634 -177.664 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 104' ' ' PRO . . . . . 0.501 ' HD2' HD11 ' B' ' 103' ' ' LEU . 60.6 Cg_endo -72.07 151.53 55.81 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.597 2.198 . . . . 74.24 112.043 -177.525 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 105' ' ' GLY . . . . . . . . . . . . . . . 72.11 15.04 76.48 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.863 -0.684 . . . . 72.34 111.971 -178.308 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 106' ' ' LEU . . . . . 0.745 HD22 HD23 ' B' ' 103' ' ' LEU . 34.2 tp -129.92 139.1 51.19 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.081 0.467 . . . . 65.44 111.33 -176.58 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -86.75 147.04 26.02 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.484 -0.78 . . . . 63.12 110.587 175.127 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -59.64 -37.56 79.01 Favored 'General case' 0 C--O 1.237 0.428 0 CA-C-N 116.29 -0.414 . . . . 74.55 111.111 -179.539 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -55.95 -51.68 66.82 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 115.896 -0.593 . . . . 64.51 110.934 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 110' ' ' ALA . . . . . 0.575 ' O ' HG23 ' B' ' 113' ' ' THR . . . -71.46 -35.76 70.96 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 115.949 -0.569 . . . . 72.03 110.477 177.678 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 111' ' ' ALA . . . . . 0.409 ' O ' HG23 ' B' ' 115' ' ' VAL . . . -54.73 -40.05 68.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.977 -0.556 . . . . 64.14 110.664 -179.875 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 112' ' ' LYS . . . . . . . . . . . . . 62.1 mttp -55.32 -39.61 70.18 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.156 -0.475 . . . . 74.45 111.46 178.567 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 113' ' ' THR . . . . . 0.575 HG23 ' O ' ' B' ' 110' ' ' ALA . 1.0 OUTLIER -79.77 -34.04 40.12 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 110.285 -0.265 . . . . 72.03 110.285 -178.67 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 114' ' ' LEU . . . . . 0.479 ' HA ' ' HD3' ' B' ' 117' ' ' ARG . 40.5 mt -65.93 -40.27 91.27 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-O 120.99 0.424 . . . . 72.05 110.494 179.059 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 115' ' ' VAL . . . . . 0.644 HG22 HG12 ' B' ' 138' ' ' VAL . 95.4 t -68.62 -32.64 55.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.868 -0.606 . . . . 63.55 110.416 177.808 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -65.04 -59.78 3.76 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 116.112 -0.495 . . . . 75.43 110.41 177.515 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 117' ' ' ARG . . . . . 0.479 ' HD3' ' HA ' ' B' ' 114' ' ' LEU . 8.8 ptm180 -58.06 -38.8 77.01 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 115.893 -0.594 . . . . 70.2 110.507 -179.275 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -59.71 -45.74 91.2 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.827 -0.624 . . . . 61.11 110.388 174.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 119' ' ' HIS . . . . . 0.762 ' HA ' ' HB3' ' B' ' 125' ' ' SER . 49.8 m80 -80.94 13.81 2.52 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 116.009 -0.542 . . . . 74.31 111.686 177.111 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 45.4 t-80 -104.37 -38.72 6.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.812 0.339 . . . . 73.32 110.973 176.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 29.5 m -88.03 -42.4 14.94 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.479 0 N-CA-C 112.792 0.664 . . . . 73.14 112.792 -173.736 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 122' ' ' CYS . . . . . . . . . . . . . 58.5 m -82.44 134.95 47.33 Favored Pre-proline 0 CA--C 1.537 0.45 0 O-C-N 122.279 -0.263 . . . . 74.53 111.31 -174.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 123' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_exo -53.44 -58.05 1.63 Allowed 'Trans proline' 0 C--N 1.355 0.896 0 C-N-CA 123.257 2.638 . . . . 65.25 113.147 -179.22 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 124' ' ' TYR . . . . . 0.474 ' O ' ' HB ' ' B' ' 128' ' ' THR . 6.7 m-85 -64.74 -8.58 15.39 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-O 120.956 0.408 . . . . 65.35 110.898 -178.481 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 125' ' ' SER . . . . . 0.762 ' HB3' ' HA ' ' B' ' 119' ' ' HIS . 25.3 m -99.37 -39.45 8.38 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.345 -0.389 . . . . 64.23 111.211 -178.621 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 126' ' ' ASN . . . . . 0.419 ' HA ' ' O ' ' B' ' 119' ' ' HIS . 51.4 t-20 -71.98 -52.26 17.94 Favored 'General case' 0 C--O 1.238 0.459 0 CA-C-O 121.675 0.75 . . . . 74.24 110.064 178.877 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 127' ' ' ALA . . . . . 0.581 ' O ' ' HB3' ' B' ' 131' ' ' ASN . . . -75.16 6.57 4.16 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.053 -0.976 . . . . 74.33 112.33 -175.005 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 128' ' ' THR . . . . . 0.511 HG22 ' O ' ' B' ' 125' ' ' SER . 1.9 t -102.55 -20.52 14.44 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.21 -0.663 . . . . 64.4 109.21 -177.542 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 129' ' ' ARG . . . . . 0.439 ' HG3' ' N ' ' B' ' 130' ' ' ASN . 23.5 ptt180 -106.58 -47.93 3.65 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 115.758 -0.656 . . . . 75.21 109.981 -177.577 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 130' ' ' ASN . . . . . 0.439 ' N ' ' HG3' ' B' ' 129' ' ' ARG . 86.2 m-20 -78.87 -18.93 53.12 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.287 -0.87 . . . . 74.14 111.742 -177.515 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 131' ' ' ASN . . . . . 0.581 ' HB3' ' O ' ' B' ' 127' ' ' ALA . 13.7 t-20 -113.92 -38.49 4.2 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.15 -0.477 . . . . 75.43 110.812 -177.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 132' ' ' VAL . . . . . 0.513 HG12 ' H ' ' B' ' 133' ' ' ALA . 14.5 t -114.91 170.8 4.86 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.341 0 CA-C-N 115.929 -0.578 . . . . 62.31 109.74 -175.354 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 133' ' ' ALA . . . . . 0.513 ' H ' HG12 ' B' ' 132' ' ' VAL . . . -97.61 88.92 4.48 Favored 'General case' 0 C--O 1.243 0.717 0 CA-C-O 121.828 0.823 . . . . 72.23 111.613 -177.21 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 134' ' ' VAL . . . . . 0.677 HG21 ' HB ' ' B' ' 97' ' ' VAL . 77.7 t -117.56 114.51 45.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 114.979 -1.01 . . . . 64.53 110.871 177.818 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 135' ' ' ARG . . . . . 0.443 ' HD3' ' HG2' ' B' ' 98' ' ' GLU . 74.8 ttt180 -72.49 100.0 2.62 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.136 -0.938 . . . . 74.32 109.163 173.707 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 78.8 mt -76.65 107.24 8.8 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.15 -0.477 . . . . 72.41 109.922 176.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 137' ' ' VAL . . . . . 0.606 ' O ' ' HA ' ' B' ' 100' ' ' ARG . 0.2 OUTLIER -122.83 118.24 54.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.455 -0.793 . . . . 74.23 110.343 -174.713 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 138' ' ' VAL . . . . . 0.644 HG12 HG22 ' B' ' 115' ' ' VAL . 3.1 m -99.62 138.54 23.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 115.533 -0.758 . . . . 70.52 110.747 -176.398 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 139' ' ' ALA . . . . . 0.42 ' HB3' ' HA ' ' B' ' 102' ' ' ALA . . . . . . . . 0 C--O 1.253 1.288 0 CA-C-O 118.551 -0.738 . . . . 71.35 110.45 -177.087 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.427 ' HE1' ' HB2' ' B' ' 94' ' ' ALA . 20.1 ptt? . . . . . 0 N--CA 1.486 1.344 0 N-CA-C 110.547 -0.168 . . . . 71.43 110.547 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 45.6 t30 -71.73 77.65 0.85 Allowed 'General case' 0 C--O 1.234 0.244 0 CA-C-O 121.298 0.571 . . . . 75.52 110.384 175.566 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.516 HG23 ' HB2' ' A' ' 6' ' ' LYS . 26.6 mm -71.29 136.37 25.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 115.339 -0.846 . . . . 51.02 111.103 174.473 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.688 ' HG ' ' HD3' ' B' ' 87' ' ' PRO . 86.5 mt -84.08 -46.78 11.61 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.044 -0.526 . . . . 74.21 109.799 175.526 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 34.1 t80 -137.34 128.22 27.32 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 116.059 -0.519 . . . . 73.42 110.296 -178.553 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.516 ' HB2' HG23 ' A' ' 3' ' ' ILE . 29.4 ttmt -136.02 142.09 44.41 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.222 0.534 . . . . 62.42 111.075 179.289 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.4 HG21 ' HB2' ' B' ' 48' ' ' GLN . 9.5 t -142.79 139.72 31.08 Favored 'General case' 0 C--O 1.238 0.458 0 CA-C-N 115.639 -0.709 . . . . 73.02 109.524 -178.471 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.512 ' HA ' ' HA ' ' B' ' 82' ' ' GLU . . . -110.63 147.76 33.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.925 0.393 . . . . 64.34 111.554 -174.58 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.729 ' HA ' ' HA ' ' A' ' 21' ' ' SER . . . -143.84 121.16 11.59 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 115.89 -0.596 . . . . 73.03 110.375 177.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.477 ' HA ' ' HA ' ' B' ' 80' ' ' THR . 13.5 t -99.92 130.07 46.06 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 116.091 -0.504 . . . . 73.43 109.927 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 52.6 p -117.47 113.45 22.06 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.955 -0.566 . . . . 74.42 110.006 179.443 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.6 m -97.11 163.47 12.92 Favored 'General case' 0 C--O 1.239 0.518 0 CA-C-N 115.998 -0.546 . . . . 72.12 111.377 -175.376 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.51 ' HA2' HD22 ' B' ' 59' ' ' LEU . . . -78.79 74.02 2.2 Favored Glycine 0 N--CA 1.449 -0.488 0 CA-C-N 115.893 -0.594 . . . . 62.44 112.065 175.114 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -68.47 -147.0 0.16 Allowed Glycine 0 CA--C 1.524 0.622 0 C-N-CA 121.153 -0.546 . . . . 62.02 112.089 172.744 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 17.7 tpp180 -62.06 -52.08 65.37 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 117.085 0.442 . . . . 73.04 110.289 177.692 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.536 ' HB3' ' HA ' ' A' ' 31' ' ' SER . 10.1 t0 -124.8 -42.86 2.03 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 108.62 -0.881 . . . . 74.22 108.62 177.877 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -164.81 152.76 22.58 Favored Glycine 0 C--N 1.339 0.744 0 C-N-CA 120.389 -0.91 . . . . 73.12 112.485 163.202 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.446 ' HD3' ' HB2' ' A' ' 29' ' ' LYS . 22.8 tpp180 -116.52 149.94 38.75 Favored 'General case' 0 N--CA 1.465 0.313 0 N-CA-C 109.076 -0.713 . . . . 73.24 109.076 175.007 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -146.88 123.83 11.35 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 120.747 0.308 . . . . 71.12 110.367 177.149 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 86.5 m -145.84 110.56 5.14 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.451 -0.341 . . . . 65.23 110.531 -176.542 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.729 ' HA ' ' HA ' ' A' ' 9' ' ' ALA . 30.7 t -71.1 112.07 6.95 Favored 'General case' 0 C--O 1.246 0.892 0 N-CA-C 107.642 -1.244 . . . . 62.3 107.642 177.62 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.415 ' C ' ' H ' ' A' ' 24' ' ' GLN . 66.9 t60 -63.77 -9.9 16.98 Favored 'General case' 0 N--CA 1.469 0.49 0 O-C-N 125.779 1.924 . . . . 71.44 111.992 -165.881 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.456 ' HB2' ' HE3' ' A' ' 25' ' ' LYS . 38.2 m-20 -80.26 12.64 2.78 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.264 -0.643 . . . . 73.43 109.264 172.793 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.415 ' H ' ' C ' ' A' ' 22' ' ' HIS . 33.5 mm-40 67.56 14.5 9.59 Favored 'General case' 0 C--N 1.34 0.152 0 CA-C-N 115.352 -0.84 . . . . 72.53 110.634 178.502 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.456 ' HE3' ' HB2' ' A' ' 23' ' ' ASP . 17.7 ptpt -92.71 -12.32 31.73 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 116.104 -0.498 . . . . 73.44 111.17 -177.846 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.448 ' HB3' ' CB ' ' A' ' 21' ' ' SER . 58.0 tp -146.64 139.57 25.37 Favored 'General case' 0 CA--C 1.505 -0.759 0 C-N-CA 119.595 -0.842 . . . . 74.42 111.247 173.654 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -153.02 91.66 1.56 Allowed 'General case' 0 N--CA 1.445 -0.678 0 CA-C-N 114.968 -1.015 . . . . 74.5 110.23 -178.571 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 3.3 m -145.72 178.43 1.31 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.207 0 CA-C-O 121.683 0.754 . . . . 62.12 111.523 179.044 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.446 ' HB2' ' HD3' ' A' ' 18' ' ' ARG . 1.3 tmtt? -139.89 143.22 36.57 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 114.792 -1.095 . . . . 62.42 108.837 177.621 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.509 ' HB2' ' O ' ' A' ' 44' ' ' THR . 0.0 OUTLIER -126.26 175.43 7.81 Favored 'General case' 0 C--O 1.251 1.138 0 CA-C-O 121.35 0.595 . . . . 73.21 111.522 -175.038 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.536 ' HA ' ' HB3' ' A' ' 16' ' ' ASP . 35.9 t -151.74 126.32 9.5 Favored 'General case' 0 N--CA 1.446 -0.645 0 CA-C-N 114.765 -1.107 . . . . 75.34 111.033 -176.163 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.632 ' HA ' ' HD2' ' A' ' 46' ' ' PRO . . . -61.23 142.27 93.55 Favored Pre-proline 0 N--CA 1.449 -0.5 0 N-CA-C 109.181 -0.674 . . . . 52.21 109.181 170.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 30.7 Cg_endo -62.28 93.74 0.13 Allowed 'Trans proline' 0 N--CA 1.459 -0.552 0 C-N-CA 121.741 1.627 . . . . 73.33 110.22 -178.107 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.495 ' HG3' ' N ' ' A' ' 40' ' ' GLY . 2.3 tmt_? -69.77 77.3 0.45 Allowed 'General case' 0 N--CA 1.455 -0.184 0 CA-C-O 122.005 0.907 . . . . 64.52 110.474 -173.172 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -136.59 -35.45 0.73 Allowed 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 113.958 -1.473 . . . . 75.14 108.539 175.47 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.4 mp -106.46 -52.97 2.7 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 115.143 -0.935 . . . . 73.53 110.144 -176.562 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -169.1 61.88 0.19 Allowed Glycine 0 C--N 1.337 0.595 0 C-N-CA 120.476 -0.869 . . . . 72.22 113.609 177.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -110.26 -140.24 8.52 Favored Glycine 0 C--N 1.336 0.583 0 N-CA-C 111.324 -0.711 . . . . 73.44 111.324 173.391 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -133.45 -22.72 1.93 Allowed 'General case' 0 N--CA 1.472 0.628 0 N-CA-C 111.99 0.367 . . . . 63.22 111.99 -176.245 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.495 ' N ' ' HG3' ' A' ' 34' ' ' ARG . . . 95.26 100.47 1.79 Allowed Glycine 0 C--N 1.332 0.324 0 C-N-CA 121.317 -0.468 . . . . 45.53 113.276 178.225 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.499 ' HB1' ' HB2' ' A' ' 31' ' ' SER . . . -168.07 168.98 11.5 Favored 'General case' 0 C--O 1.234 0.269 0 C-N-CA 122.56 0.344 . . . . 51.12 110.108 174.745 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -95.82 98.38 10.39 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.924 0.869 . . . . 71.23 109.171 172.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -156.82 -167.31 17.81 Favored Glycine 0 C--N 1.311 -0.852 0 CA-C-N 114.819 -1.082 . . . . 55.55 111.759 177.474 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.509 ' O ' ' HB2' ' A' ' 30' ' ' LEU . 20.6 p -91.27 146.64 23.65 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 110.126 -0.324 . . . . 74.01 110.126 -179.003 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 11.1 m120 -82.82 126.39 73.1 Favored Pre-proline 0 C--N 1.327 -0.398 0 N-CA-C 109.545 -0.539 . . . . 72.33 109.545 -177.641 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.632 ' HD2' ' HA ' ' A' ' 32' ' ' ALA . 9.6 Cg_endo -50.57 -44.4 40.28 Favored 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 123.209 2.606 . . . . 63.04 112.985 -176.884 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -60.57 -48.78 80.25 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-O 121.76 0.791 . . . . 62.13 109.187 179.174 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.561 ' OE1' HG22 ' B' ' 7' ' ' THR . 13.9 tp60 -68.05 -30.61 69.86 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 114.752 -1.113 . . . . 74.41 110.791 -179.258 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.504 HD11 ' HA3' ' B' ' 53' ' ' GLY . 2.5 tm? -66.48 -46.63 75.66 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.951 -0.759 . . . . 71.11 108.951 -178.439 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 18.4 t80 -60.96 -49.51 77.15 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.081 -0.509 . . . . 65.21 109.952 173.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.402 ' HB2' ' NE2' ' A' ' 48' ' ' GLN . . . -54.73 -41.97 71.01 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 115.987 -0.551 . . . . 52.03 111.077 178.875 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -71.33 -48.37 50.78 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 116.298 -0.41 . . . . 73.32 110.818 -178.251 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.503 ' HA3' HD11 ' B' ' 49' ' ' LEU . . . -60.71 -39.85 97.23 Favored Glycine 0 N--CA 1.451 -0.326 0 CA-C-N 115.896 -0.593 . . . . 45.35 111.996 179.715 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -72.03 -40.48 68.41 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 110.013 -0.366 . . . . 74.55 110.013 178.327 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 11.6 t -58.86 -40.05 83.16 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.138 0.494 . . . . 73.1 109.701 178.388 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.498 ' HB3' HD23 ' B' ' 30' ' ' LEU . . . -75.41 -41.2 56.63 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 115.762 -0.654 . . . . 72.41 110.664 177.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 40.1 t -58.64 -36.44 74.12 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.965 -0.561 . . . . 74.4 110.077 177.431 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 23.2 t80 -59.86 -36.69 77.39 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.839 -0.618 . . . . 74.24 110.204 -178.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 95.2 mt -64.03 -45.25 89.72 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.818 -0.628 . . . . 74.12 109.982 176.299 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.46 ' O ' ' HB3' ' A' ' 63' ' ' LYS . 9.2 t -67.33 -33.53 75.45 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-N 115.872 -0.604 . . . . 74.4 110.298 -179.703 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.44 -51.06 62.87 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.115 -0.493 . . . . 64.15 109.99 177.036 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.9 -32.17 73.39 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.254 -0.43 . . . . 61.32 110.619 177.108 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.46 ' HB3' ' O ' ' A' ' 60' ' ' SER . 40.2 tttp -58.36 -51.99 67.48 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.799 -0.637 . . . . 62.32 109.996 174.74 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 54.7 t80 -69.83 -42.92 72.99 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 115.73 -0.668 . . . . 70.35 110.921 -177.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 54.6 t -56.97 -52.08 60.36 Favored 'Isoleucine or valine' 0 C--O 1.233 0.196 0 CA-C-O 120.781 0.324 . . . . 51.41 110.194 178.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -57.95 -34.97 70.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.283 0.563 . . . . 55.45 109.639 177.338 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -68.47 -31.06 73.41 Favored Glycine 0 N--CA 1.451 -0.324 0 CA-C-N 114.907 -1.042 . . . . 65.01 112.251 -177.368 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -95.42 -15.23 23.15 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.192 -0.669 . . . . 73.33 109.192 -179.747 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -94.3 2.0 55.88 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 115.081 -0.963 . . . . 73.35 110.51 176.408 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.453 ' N ' ' HD3' ' A' ' 70' ' ' LYS . 19.6 mmtm 64.66 23.11 12.74 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.41 -0.814 . . . . 70.5 110.863 171.682 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -117.75 165.89 13.09 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.239 -0.892 . . . . 65.11 109.511 178.687 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 15.6 p -126.72 141.41 51.85 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 116.434 -0.348 . . . . 71.13 110.291 176.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.506 HD22 HD21 ' A' ' 103' ' ' LEU . 89.5 mt -107.85 144.07 28.59 Favored Pre-proline 0 C--N 1.324 -0.526 0 CA-C-N 115.953 -0.567 . . . . 64.52 109.542 179.558 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.403 ' O ' HG23 ' A' ' 77' ' ' THR . 52.8 Cg_exo -56.5 134.31 63.55 Favored 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 122.738 2.292 . . . . 75.32 112.214 -179.35 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -76.98 -1.47 28.93 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-O 121.322 0.582 . . . . 74.43 110.936 179.384 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -85.55 2.61 44.18 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.458 -0.792 . . . . 72.44 110.689 179.16 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.496 ' HB ' HD13 ' A' ' 103' ' ' LEU . 10.3 t -77.52 160.68 28.46 Favored 'General case' 0 C--O 1.238 0.48 0 CA-C-N 115.574 -0.739 . . . . 74.0 111.919 -175.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 32.3 m -154.93 149.42 26.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.71 -0.677 . . . . 72.13 110.13 179.291 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 97.5 t -127.33 140.24 49.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 N-CA-C 108.687 -0.857 . . . . 73.54 108.687 176.526 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 60.6 m -128.6 114.65 16.96 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.784 0.325 . . . . 61.0 110.829 -178.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -94.57 104.59 16.54 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.038 -0.528 . . . . 75.0 110.048 177.003 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.512 ' HB3' ' HB3' ' A' ' 98' ' ' GLU . 42.3 tt0 -101.31 107.75 19.2 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.674 -0.693 . . . . 75.53 109.426 179.272 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.531 HG22 HG22 ' A' ' 97' ' ' VAL . 8.0 p -107.98 139.77 28.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 121.076 0.465 . . . . 74.25 111.465 -171.623 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -134.73 157.32 22.92 Favored Glycine 0 N--CA 1.446 -0.689 0 N-CA-C 111.338 -0.705 . . . . 64.22 111.338 176.01 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.405 HD13 ' CD2' ' A' ' 93' ' ' PHE . 0.0 OUTLIER -136.22 132.66 49.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 N-CA-C 109.505 -0.554 . . . . 71.32 109.505 -179.522 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . 0.511 ' HA2' ' HG ' ' B' ' 4' ' ' LEU . . . -145.77 170.0 27.11 Favored Glycine 0 C--N 1.333 0.405 0 O-C-N 123.926 0.766 . . . . 64.2 111.309 -176.175 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . 0.64 ' HD3' ' HG ' ' B' ' 4' ' ' LEU . 1.1 Cg_endo -79.86 128.9 7.81 Favored 'Trans proline' 0 N--CA 1.46 -0.45 0 C-N-CA 122.824 2.349 . . . . 75.13 111.999 -177.327 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . 0.502 ' HB2' ' HB3' ' A' ' 94' ' ' ALA . 51.5 t30 -79.52 147.94 32.0 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 109.551 -0.536 . . . . 63.43 109.551 174.662 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -62.8 -9.55 9.85 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.066 0.46 . . . . 74.31 111.775 -177.531 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -75.84 -21.1 57.59 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.961 -0.563 . . . . 62.35 111.267 177.284 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.2 23.09 8.27 Favored Glycine 0 CA--C 1.516 0.135 0 N-CA-C 111.601 -0.6 . . . . 52.42 111.601 -176.169 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -131.51 -159.0 9.32 Favored Glycine 0 N--CA 1.451 -0.338 0 N-CA-C 111.02 -0.832 . . . . 74.12 111.02 178.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.405 ' CD2' HD13 ' A' ' 85' ' ' ILE . 59.3 m-85 -104.75 155.47 18.86 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 117.068 0.434 . . . . 72.25 110.7 179.254 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.502 ' HB3' ' HB2' ' A' ' 88' ' ' ASN . . . -142.46 141.59 32.19 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.499 -0.773 . . . . 73.43 109.495 179.831 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -102.32 146.87 27.41 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.069 0.462 . . . . 75.45 110.931 -178.333 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -134.9 110.33 9.07 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 108.205 -1.035 . . . . 62.1 108.205 176.085 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.827 ' HB ' HG23 ' A' ' 134' ' ' VAL . 45.5 t -112.14 110.64 32.94 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-O 121.057 0.456 . . . . 41.42 111.102 -177.133 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.512 ' HB3' ' HB3' ' A' ' 82' ' ' GLU . 32.3 tp10 -85.52 98.02 10.38 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 108.43 -0.952 . . . . 52.25 108.43 175.794 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 23.7 tp -96.63 107.04 19.41 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-O 121.07 0.462 . . . . 73.33 110.099 -176.797 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.513 ' HA ' HG12 ' A' ' 137' ' ' VAL . 20.0 ttt85 -100.34 119.96 39.22 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.123 -0.944 . . . . 73.43 110.581 -172.664 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 46.8 t -111.16 102.18 13.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 N-CA-C 110.393 -0.225 . . . . 72.23 110.393 -176.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -98.9 101.63 13.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.799 0.333 . . . . 73.1 110.537 -179.197 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.85 HD22 HD22 ' A' ' 106' ' ' LEU . 36.1 tp -116.77 118.96 36.12 Favored Pre-proline 0 C--N 1.328 -0.346 0 N-CA-C 108.936 -0.765 . . . . 73.31 108.936 177.617 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . 0.517 ' HD2' HD13 ' A' ' 103' ' ' LEU . 66.0 Cg_endo -75.21 152.13 39.44 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.605 2.203 . . . . 73.52 112.473 -175.847 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 70.91 15.2 73.83 Favored Glycine 0 CA--C 1.521 0.432 0 CA-C-N 115.795 -0.639 . . . . 54.45 112.335 -179.063 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.85 HD22 HD22 ' A' ' 103' ' ' LEU . 31.8 tp -119.02 144.28 46.61 Favored 'General case' 0 C--O 1.236 0.377 0 C-N-CA 122.956 0.502 . . . . 65.03 111.165 -174.784 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -77.81 162.01 27.22 Favored 'General case' 0 CA--C 1.513 -0.47 0 CA-C-N 116.182 -0.463 . . . . 72.42 110.269 176.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . 0.509 ' O ' ' HG2' ' A' ' 112' ' ' LYS . . . -65.94 -45.7 80.84 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 115.269 -0.878 . . . . 74.35 109.981 170.04 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -62.92 -49.54 74.39 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 115.658 -0.701 . . . . 64.13 110.715 -177.052 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . 0.547 ' O ' HG21 ' A' ' 113' ' ' THR . . . -65.06 -41.87 94.73 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.654 -0.703 . . . . 73.25 109.724 179.461 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . 0.462 ' HA ' HD23 ' A' ' 106' ' ' LEU . . . -54.77 -45.99 74.33 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.842 -0.617 . . . . 54.13 111.008 176.465 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . 0.509 ' HG2' ' O ' ' A' ' 108' ' ' ALA . 32.5 mmtp -51.99 -38.09 55.49 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 115.794 -0.639 . . . . 74.23 111.324 178.837 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' THR . . . . . 0.547 HG21 ' O ' ' A' ' 110' ' ' ALA . 0.7 OUTLIER -82.07 -35.42 28.7 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 121.162 -0.215 . . . . 74.22 110.957 -177.787 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.488 ' HG ' ' O ' ' A' ' 110' ' ' ALA . 44.2 mt -63.16 -50.83 68.85 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 121.122 0.486 . . . . 61.01 109.979 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . 0.511 HG22 HG11 ' A' ' 138' ' ' VAL . 58.6 t -61.97 -32.82 55.47 Favored 'Isoleucine or valine' 0 C--O 1.238 0.488 0 CA-C-N 115.518 -0.764 . . . . 72.22 110.353 179.013 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -65.99 -60.69 2.59 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 115.967 -0.56 . . . . 65.51 110.891 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . 0.515 ' HG2' ' O ' ' A' ' 113' ' ' THR . 12.6 ptm180 -60.04 -38.35 82.47 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 116.395 -0.366 . . . . 65.24 110.129 -177.17 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -57.05 -49.99 74.14 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.874 -0.603 . . . . 63.41 110.075 175.445 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . 0.692 ' HB3' ' HD2' ' A' ' 129' ' ' ARG . 46.5 m80 -74.95 4.38 6.66 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.127 -0.488 . . . . 74.13 111.961 177.713 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 23.1 t-80 -108.5 -32.83 7.25 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.817 -0.174 . . . . 75.14 111.329 179.431 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . 0.41 HG21 ' O ' ' A' ' 117' ' ' ARG . 29.2 m -104.72 -19.68 6.24 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.535 0 N-CA-C 113.068 0.766 . . . . 74.54 113.068 -173.325 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' CYS . . . . . 0.517 ' HB2' ' HB2' ' A' ' 125' ' ' SER . 78.7 m -81.29 140.85 49.09 Favored Pre-proline 0 CA--C 1.54 0.578 0 O-C-N 122.319 -0.238 . . . . 72.12 111.33 -177.187 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 6.7 Cg_endo -46.87 -61.79 0.55 Allowed 'Trans proline' 0 C--N 1.358 1.049 0 C-N-CA 124.213 3.275 . . . . 75.04 114.028 -170.05 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -113.05 47.46 1.11 Allowed 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 121.716 0.77 . . . . 65.44 110.581 -179.814 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' SER . . . . . 0.558 ' O ' HG21 ' A' ' 128' ' ' THR . 68.5 m -115.05 -28.52 6.97 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.192 -0.913 . . . . 65.33 110.327 173.59 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 31.6 p-10 -72.21 -32.52 66.84 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 108.969 -0.752 . . . . 73.42 108.969 173.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . 0.511 ' O ' ' HB3' ' A' ' 131' ' ' ASN . . . -63.35 -17.33 62.48 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.003 -0.999 . . . . 54.1 112.047 177.848 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' THR . . . . . 0.558 HG21 ' O ' ' A' ' 125' ' ' SER . 1.0 OUTLIER -97.27 -11.84 23.65 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.268 -0.642 . . . . 73.21 109.268 -171.012 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . 0.692 ' HD2' ' HB3' ' A' ' 119' ' ' HIS . 15.4 ptm180 -114.06 -47.67 2.94 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.441 -0.8 . . . . 72.04 110.267 -176.663 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 83.6 m-20 -78.84 -26.03 44.1 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.55 -0.75 . . . . 71.52 111.505 -178.171 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . 0.511 ' HB3' ' O ' ' A' ' 127' ' ' ALA . 0.2 OUTLIER -115.31 -32.18 5.72 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 115.726 -0.67 . . . . 72.12 110.856 -173.136 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . 0.482 ' HB ' ' HA ' ' A' ' 128' ' ' THR . 65.5 t -116.85 154.43 18.49 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.392 0 CA-C-N 116.374 -0.375 . . . . 70.22 110.358 -175.861 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -87.26 95.21 9.9 Favored 'General case' 0 C--O 1.24 0.594 0 CA-C-O 121.733 0.778 . . . . 45.42 111.534 -178.54 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . 0.827 HG23 ' HB ' ' A' ' 97' ' ' VAL . 69.9 t -125.33 119.9 56.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.096 -0.957 . . . . 75.02 110.845 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 4.6 tpp180 -78.84 111.55 15.1 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.274 -0.639 . . . . 74.34 109.274 173.597 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . 0.433 ' HA ' HD22 ' A' ' 136' ' ' LEU . 75.7 mt -83.52 101.44 11.43 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.522 0.677 . . . . 50.04 110.71 178.439 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . 0.513 HG12 ' HA ' ' A' ' 100' ' ' ARG . 0.2 OUTLIER -110.29 114.58 47.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 114.816 -1.084 . . . . 74.42 110.081 -177.826 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . 0.511 HG11 HG22 ' A' ' 115' ' ' VAL . 3.2 m -93.69 138.83 19.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 115.607 -0.724 . . . . 71.15 109.852 -178.871 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.315 -0.902 0 CA-C-N 115.656 -0.702 . . . . 73.13 110.74 -176.16 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 19.4 ptt? . . . . . 0 C--O 1.236 0.361 0 CA-C-O 120.894 0.378 . . . . 72.42 110.859 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 44.0 t30 -75.64 72.23 2.58 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.418 0.628 . . . . 61.35 110.537 177.165 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . 0.495 HG21 ' HB2' ' B' ' 6' ' ' LYS . 31.9 mm -67.97 133.01 32.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.583 -0.735 . . . . 72.42 111.492 175.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . 0.64 ' HG ' ' HD3' ' A' ' 87' ' ' PRO . 86.6 mt -87.57 -49.76 6.97 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.584 -0.735 . . . . 75.25 109.849 174.377 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 5' ' ' TYR . . . . . . . . . . . . . 16.9 t80 -132.11 131.09 42.01 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.875 -0.602 . . . . 75.45 109.699 -178.004 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . 0.495 ' HB2' HG21 ' B' ' 3' ' ' ILE . 38.0 ttmt -135.85 149.57 49.09 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.056 0.455 . . . . 65.01 110.95 176.535 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 7' ' ' THR . . . . . 0.561 HG22 ' OE1' ' A' ' 48' ' ' GLN . 8.5 t -154.57 168.07 27.99 Favored 'General case' 0 CA--C 1.536 0.424 0 N-CA-C 108.636 -0.875 . . . . 73.02 108.636 178.352 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . 0.44 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . . . -136.24 150.84 49.15 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-O 121.14 0.495 . . . . 64.22 111.828 -174.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . 0.547 ' HA ' ' H ' ' B' ' 22' ' ' HIS . . . -136.44 125.21 23.94 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.986 -0.552 . . . . 71.2 110.483 175.453 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 61.3 m -105.85 116.26 31.64 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.543 -0.753 . . . . 64.31 110.221 -178.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 74.0 p -104.42 113.38 26.9 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 110.109 -0.33 . . . . 74.14 110.109 175.37 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 8.1 m -98.51 160.52 14.22 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.414 -0.357 . . . . 73.24 110.557 179.787 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -77.95 75.93 1.82 Allowed Glycine 0 N--CA 1.443 -0.835 0 C-N-CA 120.883 -0.675 . . . . 71.12 111.587 173.571 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -61.13 -107.53 0.01 OUTLIER Glycine 0 C--N 1.334 0.436 0 C-N-CA 121.355 -0.45 . . . . 73.4 112.122 174.075 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . 0.421 ' HD2' ' HA ' ' B' ' 15' ' ' ARG . 14.2 tpt180 -86.16 -54.53 4.41 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 117.332 0.566 . . . . 65.14 109.568 174.194 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -125.55 -42.86 1.92 Allowed 'General case' 0 N--CA 1.463 0.216 0 N-CA-C 109.231 -0.655 . . . . 65.33 109.231 171.646 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -153.61 146.47 14.82 Favored Glycine 0 C--N 1.336 0.566 0 N-CA-C 111.01 -0.836 . . . . 74.22 111.01 165.347 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 18' ' ' ARG . . . . . 0.456 ' HA ' ' HA ' ' B' ' 29' ' ' LYS . 0.9 OUTLIER -136.32 105.08 5.84 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 108.999 -0.741 . . . . 74.4 108.999 179.513 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -98.52 123.96 42.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.3 -0.409 . . . . 64.31 110.23 -174.427 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 22.6 m -130.27 114.58 15.82 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.242 -0.435 . . . . 75.11 111.015 -177.163 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 21' ' ' SER . . . . . 0.511 ' HB3' ' N ' ' B' ' 26' ' ' LEU . 34.7 t -66.48 108.04 2.26 Favored 'General case' 0 C--O 1.244 0.813 0 N-CA-C 106.781 -1.563 . . . . 74.21 106.781 174.181 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 22' ' ' HIS . . . . . 0.547 ' H ' ' HA ' ' B' ' 9' ' ' ALA . 51.1 t-80 -55.61 -21.31 17.04 Favored 'General case' 0 N--CA 1.467 0.393 0 O-C-N 125.679 1.862 . . . . 73.12 112.983 -162.419 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . 0.511 ' HB2' ' HE2' ' B' ' 25' ' ' LYS . 1.7 m-20 -80.28 19.48 0.75 Allowed 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 110.058 -0.349 . . . . 63.54 110.058 178.527 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . 0.432 ' H ' ' C ' ' B' ' 22' ' ' HIS . 30.4 mm-40 62.75 23.15 13.8 Favored 'General case' 0 C--O 1.231 0.122 0 CA-C-N 115.977 -0.556 . . . . 71.43 109.884 -178.112 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.511 ' HE2' ' HB2' ' B' ' 23' ' ' ASP . 51.9 mtmt -86.93 -25.71 24.24 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 115.498 -0.774 . . . . 41.25 110.756 -179.603 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . 0.511 ' N ' ' HB3' ' B' ' 21' ' ' SER . 48.0 tp -149.33 147.76 28.71 Favored 'General case' 0 CA--C 1.508 -0.647 0 C-N-CA 120.66 -0.416 . . . . 73.34 110.976 177.766 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 13.1 p-10 -158.85 90.85 1.01 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.5 -0.773 . . . . 53.33 110.302 -177.566 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 8.1 m -141.17 176.32 4.73 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.466 0 CA-C-O 121.573 0.701 . . . . 74.12 112.19 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.753 ' HB3' ' HZ3' ' B' ' 29' ' ' LYS . 4.0 ttpm? -125.82 142.98 51.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 114.671 -1.15 . . . . 74.12 110.689 -177.474 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . 0.772 ' HA ' ' H ' ' B' ' 44' ' ' THR . 0.0 OUTLIER -130.66 166.76 20.01 Favored 'General case' 0 C--O 1.248 1.0 0 CA-C-N 116.057 -0.519 . . . . 72.32 110.134 174.183 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 31' ' ' SER . . . . . 0.505 ' OG ' ' HB2' ' B' ' 41' ' ' ALA . 34.1 m -150.73 149.6 30.0 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 115.801 -0.636 . . . . 62.35 111.204 -178.637 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 32' ' ' ALA . . . . . 0.443 ' HB2' ' HG ' ' A' ' 60' ' ' SER . . . -75.74 140.63 71.31 Favored Pre-proline 0 C--O 1.239 0.551 0 CA-C-N 115.784 -0.644 . . . . 75.13 110.868 177.503 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 33' ' ' PRO . . . . . 0.453 ' HG3' HD21 ' B' ' 45' ' ' ASN . 43.9 Cg_exo -56.03 117.59 4.25 Favored 'Trans proline' 0 C--N 1.352 0.726 0 C-N-CA 122.897 2.398 . . . . 72.21 111.584 179.707 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 34' ' ' ARG . . . . . 0.408 ' HB2' ' CA ' ' B' ' 40' ' ' GLY . 62.9 ttt180 -71.33 -16.36 62.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.348 0.594 . . . . 71.43 110.751 -175.376 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 5.9 mp0 -57.72 -27.37 62.91 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 114.827 -1.079 . . . . 72.42 110.124 178.16 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 4.8 mp -111.95 19.23 18.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.217 -0.901 . . . . 63.52 110.056 -173.104 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 83.34 65.1 1.6 Allowed Glycine 0 C--N 1.332 0.33 0 N-CA-C 111.505 -0.638 . . . . 51.22 111.505 -176.455 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -120.26 -131.46 4.13 Favored Glycine 0 C--N 1.329 0.194 0 C-N-CA 121.133 -0.556 . . . . 64.12 112.507 -174.477 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -120.61 -35.04 3.46 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 120.851 0.358 . . . . 71.25 110.798 179.384 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 40' ' ' GLY . . . . . 0.408 ' CA ' ' HB2' ' B' ' 34' ' ' ARG . . . 70.15 29.14 70.7 Favored Glycine 0 C--N 1.333 0.38 0 C-N-CA 121.055 -0.593 . . . . 53.13 113.183 178.357 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . 0.505 ' HB2' ' OG ' ' B' ' 31' ' ' SER . . . -82.1 157.35 24.12 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.801 -0.444 . . . . 75.21 109.801 176.506 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -74.27 74.16 1.82 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.705 0.764 . . . . 74.14 110.513 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -133.0 -160.03 9.36 Favored Glycine 0 N--CA 1.453 -0.212 0 CA-C-N 114.994 -1.003 . . . . 72.12 111.565 178.105 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 44' ' ' THR . . . . . 0.772 ' H ' ' HA ' ' B' ' 30' ' ' LEU . 51.9 p -113.47 164.87 13.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.788 0.294 . . . . 70.51 110.81 -178.816 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 45' ' ' ASN . . . . . 0.453 HD21 ' HG3' ' B' ' 33' ' ' PRO . 12.2 m120 -85.9 127.06 63.8 Favored Pre-proline 0 C--N 1.329 -0.298 0 N-CA-C 109.708 -0.479 . . . . 71.14 109.708 178.613 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 46' ' ' PRO . . . . . . . . . . . . . 14.6 Cg_endo -56.36 -50.76 11.0 Favored 'Trans proline' 0 C--N 1.35 0.637 0 C-N-CA 122.814 2.343 . . . . 54.41 112.26 -178.346 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -55.69 -37.07 67.85 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-O 121.256 0.551 . . . . 73.03 110.428 179.461 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . 0.449 ' OE1' ' HB2' ' A' ' 21' ' ' SER . 0.9 OUTLIER -65.45 -42.42 92.37 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.672 -0.694 . . . . 65.22 110.12 177.952 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 49' ' ' LEU . . . . . 0.503 HD11 ' HA3' ' A' ' 53' ' ' GLY . 2.3 tm? -61.86 -43.46 98.79 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.692 -0.685 . . . . 73.15 109.372 -178.123 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 25.3 t80 -62.51 -45.98 90.53 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 115.866 -0.606 . . . . 74.53 110.487 175.645 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . 0.492 ' HB2' HG12 ' B' ' 83' ' ' VAL . . . -56.51 -53.21 60.2 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.216 -0.447 . . . . 63.22 111.606 179.473 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -61.06 -40.34 93.28 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 116.05 -0.523 . . . . 74.31 110.367 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . 0.504 ' HA3' HD11 ' A' ' 49' ' ' LEU . . . -62.29 -48.04 85.35 Favored Glycine 0 N--CA 1.448 -0.531 0 CA-C-N 115.642 -0.708 . . . . 73.22 112.429 177.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -63.54 -44.14 95.05 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 110.283 -0.265 . . . . 73.43 110.283 -178.285 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 55' ' ' SER . . . . . 0.511 ' OG ' ' HB3' ' B' ' 81' ' ' ALA . 30.5 m -63.9 -51.97 62.07 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.777 0.323 . . . . 71.55 110.774 -179.041 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 56' ' ' ALA . . . . . 0.492 ' HB3' HD22 ' A' ' 30' ' ' LEU . . . -62.48 -35.41 79.26 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.168 -0.469 . . . . 72.32 110.556 179.023 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 57' ' ' CYS . . . . . 0.544 ' SG ' ' HB2' ' A' ' 46' ' ' PRO . 45.7 t -68.91 -37.08 78.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.848 -0.615 . . . . 72.4 110.273 177.74 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 30.6 t80 -67.92 -25.98 65.74 Favored 'General case' 0 N--CA 1.452 -0.36 0 N-CA-C 109.5 -0.556 . . . . 61.11 109.5 -176.233 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . 0.51 HD22 ' HA2' ' A' ' 13' ' ' GLY . 66.1 tp -62.21 -52.79 62.36 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 115.684 -0.689 . . . . 73.31 109.944 174.004 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 60' ' ' SER . . . . . 0.428 ' O ' ' HB3' ' B' ' 63' ' ' LYS . 19.1 t -66.94 -37.51 84.43 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 115.916 -0.584 . . . . 73.23 110.519 -179.249 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -62.45 -46.91 86.38 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.969 0.414 . . . . 44.1 110.192 176.701 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 62' ' ' MET . . . . . 0.667 ' HA ' ' HE1' ' B' ' 62' ' ' MET . 3.1 tpt -64.02 -33.79 76.54 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.738 -0.665 . . . . 71.0 109.786 178.456 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . 0.428 ' HB3' ' O ' ' B' ' 60' ' ' SER . 46.7 tptt -60.19 -51.99 67.22 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 115.413 -0.812 . . . . 72.03 110.205 176.66 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 81.6 t80 -64.35 -45.01 89.65 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 115.582 -0.735 . . . . 73.11 110.772 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 55.4 t -57.5 -41.86 79.73 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-N 116.311 -0.404 . . . . 75.05 110.629 178.419 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -53.8 -31.17 48.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.119 -0.492 . . . . 74.13 110.693 176.518 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -67.23 -39.51 92.27 Favored Glycine 0 C--N 1.331 0.296 0 CA-C-N 115.824 -0.625 . . . . 75.04 111.989 -179.5 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -90.44 -9.9 45.78 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.633 0.73 . . . . 64.5 109.38 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 69' ' ' ASN . . . . . 0.515 ' HB3' ' HG2' ' B' ' 71' ' ' GLN . 0.9 OUTLIER -92.23 -1.17 57.28 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 114.85 -1.068 . . . . 65.21 110.37 174.315 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 1.8 mptp? 61.19 24.44 14.54 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 115.944 -0.571 . . . . 73.12 111.365 174.691 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . 0.515 ' HG2' ' HB3' ' B' ' 69' ' ' ASN . 3.1 pt20 -124.61 161.24 26.66 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.003 -0.544 . . . . 74.24 110.669 -176.538 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 14.9 p -119.9 132.72 55.63 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.938 -0.574 . . . . 74.12 109.929 175.596 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -109.24 147.2 35.49 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.308 -0.405 . . . . 75.15 110.66 -179.051 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 74' ' ' PRO . . . . . 0.654 ' HD2' HD11 ' B' ' 103' ' ' LEU . 31.2 Cg_exo -59.99 137.06 73.56 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.699 2.266 . . . . 74.32 112.447 178.84 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -76.9 -24.66 52.5 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.758 0.79 . . . . 71.53 110.882 178.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 37.1 m-20 -80.74 21.9 0.63 Allowed 'General case' 0 C--N 1.313 -0.988 0 CA-C-N 114.599 -1.182 . . . . 60.22 111.488 -171.74 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 77' ' ' THR . . . . . 0.517 ' HB ' HD13 ' B' ' 103' ' ' LEU . 7.6 t -88.92 172.98 8.76 Favored 'General case' 0 C--O 1.237 0.421 0 C-N-CA 122.656 0.382 . . . . 73.25 111.791 -175.348 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 16.6 m -152.63 149.27 28.26 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-O 121.057 0.456 . . . . 71.23 110.964 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 72.9 t -131.42 121.05 47.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 N-CA-C 109.069 -0.715 . . . . 54.24 109.069 174.078 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 80' ' ' THR . . . . . 0.477 ' HA ' ' HA ' ' A' ' 10' ' ' THR . 23.7 m -107.18 109.22 20.98 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 116.439 -0.346 . . . . 75.2 110.851 -177.761 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 81' ' ' ALA . . . . . 0.511 ' HB3' ' OG ' ' B' ' 55' ' ' SER . . . -96.66 114.81 26.48 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.435 -0.348 . . . . 73.43 110.393 178.275 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 82' ' ' GLU . . . . . 0.512 ' HA ' ' HA ' ' A' ' 8' ' ' ALA . 41.8 tt0 -112.53 107.99 16.93 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.454 -0.572 . . . . 71.23 109.454 177.759 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . 0.568 HG11 HG22 ' B' ' 97' ' ' VAL . 27.3 m -104.17 146.59 11.4 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.258 0 CA-C-N 116.214 -0.448 . . . . 71.44 111.271 -174.754 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 84' ' ' GLY . . . . . . . . . . . . . . . -142.28 161.95 27.25 Favored Glycine 0 N--CA 1.442 -0.957 0 CA-C-N 115.858 -0.61 . . . . 52.45 111.607 178.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -132.7 130.79 59.51 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 N-CA-C 108.659 -0.867 . . . . 73.1 108.659 178.091 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 86' ' ' GLY . . . . . 0.449 ' HA2' ' HG ' ' A' ' 4' ' ' LEU . . . -150.5 169.71 30.4 Favored Glycine 0 N--CA 1.451 -0.322 0 CA-C-N 115.706 -0.679 . . . . 52.3 111.511 -178.414 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 87' ' ' PRO . . . . . 0.688 ' HD3' ' HG ' ' A' ' 4' ' ' LEU . 7.8 Cg_exo -71.89 125.38 10.95 Favored 'Trans proline' 0 C--N 1.344 0.3 0 C-N-CA 122.792 2.328 . . . . 70.05 111.77 -178.444 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 88' ' ' ASN . . . . . 0.445 ' HB2' ' HB3' ' B' ' 94' ' ' ALA . 51.9 t-20 -77.24 146.33 36.99 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.149 -0.686 . . . . 72.3 109.149 176.171 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -62.66 -13.55 33.23 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-O 121.202 0.525 . . . . 71.21 110.863 178.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -67.41 -22.61 65.53 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 115.329 -0.851 . . . . 74.05 111.254 175.492 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.1 23.41 8.14 Favored Glycine 0 C--O 1.235 0.21 0 N-CA-C 111.66 -0.576 . . . . 72.2 111.66 -176.12 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . -137.36 -144.33 4.73 Favored Glycine 0 N--CA 1.452 -0.253 0 N-CA-C 111.107 -0.797 . . . . 70.13 111.107 178.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 93' ' ' PHE . . . . . . . . . . . . . 63.2 m-85 -111.04 167.91 9.89 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 117.117 0.459 . . . . 73.12 110.533 178.156 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 94' ' ' ALA . . . . . 0.445 ' HB3' ' HB2' ' B' ' 88' ' ' ASN . . . -153.14 132.83 13.09 Favored 'General case' 0 C--O 1.239 0.534 0 CA-C-N 115.896 -0.593 . . . . 62.21 109.889 179.08 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -95.45 121.66 37.36 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.834 -0.621 . . . . 74.21 110.05 177.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 96' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -109.97 111.73 23.3 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.18 -0.918 . . . . 73.53 109.481 -178.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 97' ' ' VAL . . . . . 0.568 HG22 HG11 ' B' ' 83' ' ' VAL . 63.7 t -114.03 110.65 32.88 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.828 0 CA-C-N 115.979 -0.555 . . . . 65.34 110.65 -174.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 98' ' ' GLU . . . . . 0.443 ' HG2' ' HB3' ' B' ' 135' ' ' ARG . 43.6 mt-10 -95.47 106.99 19.12 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.726 -0.472 . . . . 74.42 109.726 178.135 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 84.4 mt -94.0 106.62 18.59 Favored 'General case' 0 C--O 1.235 0.299 0 N-CA-C 109.487 -0.561 . . . . 75.14 109.487 179.653 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 100' ' ' ARG . . . . . 0.529 ' HA ' ' O ' ' B' ' 137' ' ' VAL . 77.6 ttt180 -99.42 122.94 43.23 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.672 -0.695 . . . . 70.24 110.073 -175.047 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 101' ' ' VAL . . . . . . . . . . . . . 89.7 t -110.5 118.72 57.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.353 -0.385 . . . . 60.12 110.941 -173.684 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -120.72 101.49 7.76 Favored 'General case' 0 C--O 1.238 0.449 0 CA-C-N 116.152 -0.476 . . . . 53.32 109.86 175.753 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 103' ' ' LEU . . . . . 0.688 HD22 HD22 ' B' ' 106' ' ' LEU . 42.1 tp -113.99 117.58 43.68 Favored Pre-proline 0 C--N 1.328 -0.356 0 N-CA-C 109.096 -0.705 . . . . 72.24 109.096 179.004 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 104' ' ' PRO . . . . . 0.523 ' HD2' HD13 ' B' ' 103' ' ' LEU . 32.8 Cg_endo -62.26 145.5 96.07 Favored 'Trans proline' 0 C--O 1.237 0.45 0 C-N-CA 122.677 2.252 . . . . 74.24 111.793 -179.051 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 105' ' ' GLY . . . . . . . . . . . . . . . 68.78 15.12 68.56 Favored Glycine 0 CA--C 1.52 0.391 0 CA-C-N 115.617 -0.72 . . . . 72.34 112.458 -177.225 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 106' ' ' LEU . . . . . 0.688 HD22 HD22 ' B' ' 103' ' ' LEU . 50.2 tp -121.39 139.63 53.19 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 120.996 0.427 . . . . 65.44 110.955 -179.813 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -82.65 167.58 18.12 Favored 'General case' 0 CA--C 1.516 -0.355 0 CA-C-N 115.708 -0.678 . . . . 63.12 110.634 179.6 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -68.44 -45.48 72.42 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.055 -0.52 . . . . 74.55 109.829 168.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -59.67 -47.38 85.84 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.505 -0.77 . . . . 64.51 110.64 -178.042 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 110' ' ' ALA . . . . . 0.456 ' O ' HG23 ' B' ' 113' ' ' THR . . . -70.99 -42.92 69.02 Favored 'General case' 0 C--O 1.238 0.462 0 CA-C-N 116.128 -0.487 . . . . 72.03 110.29 179.349 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -54.53 -37.82 65.85 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 115.856 -0.611 . . . . 64.14 111.324 178.226 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 112' ' ' LYS . . . . . . . . . . . . . 23.4 mmmt -51.08 -45.95 61.62 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 116.049 -0.523 . . . . 74.45 111.357 179.381 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 113' ' ' THR . . . . . 0.456 HG23 ' O ' ' B' ' 110' ' ' ALA . 1.6 t -82.16 -37.27 26.4 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.368 -0.378 . . . . 72.03 110.627 -177.026 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 33.9 mt -62.36 -45.96 90.83 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-O 120.752 0.311 . . . . 72.05 110.92 -178.218 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 115' ' ' VAL . . . . . 0.559 HG21 HG12 ' B' ' 138' ' ' VAL . 84.2 t -63.21 -37.55 79.75 Favored 'Isoleucine or valine' 0 C--O 1.243 0.724 0 CA-C-N 116.278 -0.419 . . . . 63.55 110.198 177.66 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 116' ' ' ASP . . . . . 0.591 ' O ' ' HB2' ' B' ' 120' ' ' HIS . 17.3 t70 -61.05 -61.51 2.52 Favored 'General case' 0 CA--C 1.52 -0.18 0 CA-C-N 115.836 -0.62 . . . . 75.43 109.883 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 117' ' ' ARG . . . . . 0.461 ' O ' HG23 ' B' ' 121' ' ' VAL . 16.0 ptm180 -57.38 -38.69 74.66 Favored 'General case' 0 N--CA 1.461 0.121 0 CA-C-N 116.296 -0.411 . . . . 70.2 110.61 -177.814 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -56.26 -56.11 25.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.842 -0.617 . . . . 61.11 110.986 178.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 79.0 m-70 -76.99 -14.05 59.89 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-O 120.675 0.274 . . . . 74.31 111.057 179.36 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 120' ' ' HIS . . . . . 0.591 ' HB2' ' O ' ' B' ' 116' ' ' ASP . 2.5 t-160 -77.57 -39.88 44.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.039 -0.528 . . . . 73.32 110.093 -177.457 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 121' ' ' VAL . . . . . 0.461 HG23 ' O ' ' B' ' 117' ' ' ARG . 32.4 m -95.21 -38.6 8.99 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.242 0 CA-C-N 116.135 -0.484 . . . . 73.14 111.455 -177.255 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 122' ' ' CYS . . . . . . . . . . . . . 77.0 m -126.99 82.5 67.94 Favored Pre-proline 0 CA--C 1.533 0.293 0 CA-C-O 120.89 0.376 . . . . 74.53 111.671 -177.075 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 123' ' ' PRO . . . . . . . . . . . . . 62.7 Cg_endo -96.11 158.56 1.37 Allowed 'Trans proline' 0 N--CA 1.454 -0.819 0 C-N-CA 122.951 2.434 . . . . 65.25 111.716 171.746 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 124' ' ' TYR . . . . . 0.524 ' HE2' ' SG ' ' B' ' 57' ' ' CYS . 0.1 OUTLIER -68.28 -20.57 64.79 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 121.669 0.747 . . . . 65.35 109.275 174.495 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 125' ' ' SER . . . . . 0.61 ' O ' HG21 ' B' ' 128' ' ' THR . 47.2 t 178.29 147.9 0.17 Allowed 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 114.26 -1.336 . . . . 64.23 107.646 179.699 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 126' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -61.15 -34.11 74.48 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 108.055 -1.091 . . . . 74.24 108.055 175.121 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 127' ' ' ALA . . . . . 0.604 ' O ' ' HB3' ' B' ' 131' ' ' ASN . . . -84.26 6.29 23.37 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 114.53 -1.214 . . . . 74.33 112.186 -178.121 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 128' ' ' THR . . . . . 0.61 HG21 ' O ' ' B' ' 125' ' ' SER . 1.7 t -96.68 -9.5 28.99 Favored 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 109.06 -0.719 . . . . 64.4 109.06 179.662 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 129' ' ' ARG . . . . . . . . . . . . . 23.6 ptt85 -126.16 -43.23 1.81 Allowed 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 115.072 -0.967 . . . . 75.21 110.833 -177.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 130' ' ' ASN . . . . . . . . . . . . . 14.9 m120 -77.06 -48.04 18.93 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 116.157 -0.474 . . . . 74.14 111.212 178.459 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 131' ' ' ASN . . . . . 0.604 ' HB3' ' O ' ' B' ' 127' ' ' ALA . 7.3 t30 -73.99 -43.84 56.72 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 116.132 -0.485 . . . . 75.43 110.907 -176.909 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 132' ' ' VAL . . . . . . . . . . . . . 56.1 t -88.27 134.36 28.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.89 -0.595 . . . . 62.31 109.671 178.235 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 133' ' ' ALA . . . . . . . . . . . . . . . -72.3 86.61 1.11 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.589 0.709 . . . . 72.23 110.417 -179.128 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 134' ' ' VAL . . . . . . . . . . . . . 46.6 t -100.43 119.68 48.87 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.758 0 CA-C-N 115.093 -0.958 . . . . 64.53 110.791 -179.524 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 135' ' ' ARG . . . . . 0.443 ' HB3' ' HG2' ' B' ' 98' ' ' GLU . 0.1 OUTLIER -88.8 108.32 19.44 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.561 -0.745 . . . . 74.32 109.424 175.386 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 136' ' ' LEU . . . . . 0.41 HD22 ' HA ' ' B' ' 136' ' ' LEU . 54.3 mt -79.36 113.04 17.18 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.067 0.461 . . . . 72.41 110.11 175.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 137' ' ' VAL . . . . . 0.529 ' O ' ' HA ' ' B' ' 100' ' ' ARG . 0.2 OUTLIER -122.86 115.57 46.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.681 -0.691 . . . . 74.23 110.499 -177.614 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 138' ' ' VAL . . . . . 0.559 HG12 HG21 ' B' ' 115' ' ' VAL . 3.0 m -101.12 138.49 25.16 Favored 'Isoleucine or valine' 0 C--O 1.238 0.455 0 CA-C-N 115.786 -0.643 . . . . 70.52 109.865 -179.761 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 139' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.176 0 CA-C-O 118.594 -0.717 . . . . 71.35 110.817 -177.008 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.581 ' SD ' ' HB2' ' B' ' 96' ' ' ASP . 28.7 ptm . . . . . 0 N--CA 1.484 1.258 0 CA-C-O 120.935 0.398 . . . . 71.43 110.719 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 49.5 t30 -100.86 83.92 2.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.817 -0.628 . . . . 75.52 109.808 -179.125 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.495 HG22 ' HB2' ' A' ' 6' ' ' LYS . 29.6 mm -66.44 129.06 30.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.889 -0.596 . . . . 51.02 111.958 -178.495 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.735 ' HG ' ' HD3' ' B' ' 87' ' ' PRO . 88.3 mt -86.29 -43.44 12.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.58 -0.736 . . . . 74.21 109.742 174.201 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . 0.623 ' HE2' ' HG2' ' B' ' 35' ' ' GLU . 58.7 t80 -141.08 135.5 31.04 Favored 'General case' 0 CA--C 1.518 -0.273 0 CA-C-N 116.056 -0.52 . . . . 73.42 110.03 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.495 ' HB2' HG22 ' A' ' 3' ' ' ILE . 31.2 ttmt -145.49 139.62 26.95 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.933 0.397 . . . . 62.42 110.549 177.128 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 7.1 t -139.18 -180.0 6.19 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.454 -0.794 . . . . 73.02 109.092 177.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -151.5 148.44 28.04 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.886 0.374 . . . . 64.34 110.354 -178.003 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -137.92 131.96 31.69 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.115 -0.493 . . . . 73.03 109.988 -179.733 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 8.9 t -102.29 121.72 42.83 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.113 0.482 . . . . 73.43 109.817 -178.751 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 75.2 p -107.37 113.51 26.92 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.12 -0.491 . . . . 74.42 110.297 -179.02 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.3 m -85.76 151.95 23.43 Favored 'General case' 0 C--O 1.241 0.651 0 CA-C-N 116.235 -0.439 . . . . 72.12 110.627 -178.138 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -78.84 67.83 3.14 Favored Glycine 0 N--CA 1.444 -0.793 0 CA-C-N 115.825 -0.625 . . . . 62.44 111.812 177.118 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.89 -159.59 0.42 Allowed Glycine 0 C--N 1.336 0.568 0 C-N-CA 121.008 -0.615 . . . . 62.02 112.764 176.052 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.579 ' HA ' ' NE ' ' A' ' 15' ' ' ARG . 1.5 mmp_? -47.76 -49.42 28.5 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 116.64 0.22 . . . . 73.04 111.277 -179.367 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.55 ' HB3' ' HA ' ' A' ' 31' ' ' SER . 33.8 t70 -125.74 -42.78 1.9 Allowed 'General case' 0 CA--C 1.518 -0.269 0 N-CA-C 109.111 -0.7 . . . . 74.22 109.111 171.841 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -163.62 158.5 30.99 Favored Glycine 0 N--CA 1.446 -0.653 0 C-N-CA 120.271 -0.966 . . . . 73.12 112.192 167.325 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.448 ' HA ' ' HA ' ' A' ' 29' ' ' LYS . 24.8 ttt85 -133.92 152.99 52.06 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 108.862 -0.792 . . . . 73.24 108.862 172.846 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -146.19 124.29 12.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.767 0.318 . . . . 71.12 110.633 -176.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.446 HG21 ' HB2' ' A' ' 27' ' ' ASP . 25.5 m -133.71 114.17 13.14 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.971 -0.559 . . . . 65.23 110.248 -177.289 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.511 ' CB ' ' HB3' ' A' ' 26' ' ' LEU . 18.0 t -74.64 115.46 14.23 Favored 'General case' 0 C--O 1.249 1.055 0 N-CA-C 107.36 -1.348 . . . . 62.3 107.36 175.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.414 ' C ' ' H ' ' A' ' 24' ' ' GLN . 78.1 t60 -63.0 -19.6 64.51 Favored 'General case' 0 C--N 1.351 0.649 0 O-C-N 126.383 2.302 . . . . 71.44 113.021 -163.408 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.41 ' OD1' ' HE3' ' A' ' 25' ' ' LYS . 9.4 p30 -80.43 13.21 2.55 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.637 0.732 . . . . 73.43 109.253 174.229 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.414 ' H ' ' C ' ' A' ' 22' ' ' HIS . 30.2 mm-40 69.88 20.15 6.79 Favored 'General case' 0 CA--C 1.515 -0.367 0 CA-C-N 114.283 -1.326 . . . . 72.53 111.417 172.238 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.431 ' HD2' ' OE1' ' B' ' 48' ' ' GLN . 14.2 ptpt -91.79 -13.23 31.84 Favored 'General case' 0 N--CA 1.451 -0.42 0 C-N-CA 120.331 -0.548 . . . . 73.44 110.415 176.834 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.511 ' HB3' ' CB ' ' A' ' 21' ' ' SER . 67.8 tp -141.9 142.55 33.07 Favored 'General case' 0 C--N 1.349 0.582 0 C-N-CA 119.081 -1.048 . . . . 74.42 110.631 175.42 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.446 ' HB2' HG21 ' A' ' 20' ' ' THR . 30.3 t70 -164.4 90.52 0.57 Allowed 'General case' 0 C--N 1.33 -0.25 0 O-C-N 123.635 0.585 . . . . 74.5 109.453 176.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.419 HG22 HD13 ' A' ' 26' ' ' LEU . 11.0 m -147.42 178.07 1.02 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.427 0 CA-C-N 115.852 -0.613 . . . . 62.12 111.608 -176.128 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.448 ' HA ' ' HA ' ' A' ' 18' ' ' ARG . 0.0 OUTLIER -118.61 151.45 37.9 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.157 -0.929 . . . . 62.42 110.485 178.108 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.612 ' HA ' ' H ' ' A' ' 44' ' ' THR . 0.0 OUTLIER -130.1 155.36 46.31 Favored 'General case' 0 C--O 1.257 1.498 0 N-CA-C 109.483 -0.562 . . . . 73.21 109.483 167.723 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.55 ' HA ' ' HB3' ' A' ' 16' ' ' ASP . 73.1 m -164.24 131.11 3.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.673 -0.694 . . . . 75.34 111.547 -175.44 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.433 ' HA ' ' HD3' ' A' ' 33' ' ' PRO . . . -72.87 133.66 81.92 Favored Pre-proline 0 C--O 1.241 0.632 0 CA-C-N 115.273 -0.876 . . . . 52.21 110.65 177.314 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' A' ' 32' ' ' ALA . 33.8 Cg_exo -60.31 148.48 90.02 Favored 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 122.909 2.406 . . . . 73.33 112.177 -179.083 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 6.6 mmt85 -69.76 -3.31 14.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.223 -0.444 . . . . 64.52 111.501 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.404 ' HB3' HD22 ' A' ' 36' ' ' LEU . 9.7 tp10 -57.71 -31.55 66.53 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-O 121.045 0.45 . . . . 75.14 110.408 175.389 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.479 HD22 ' N ' ' A' ' 36' ' ' LEU . 2.2 mm? -100.58 6.2 44.11 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 115.76 -0.655 . . . . 73.53 110.324 178.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 75.46 37.57 40.73 Favored Glycine 0 N--CA 1.451 -0.363 0 N-CA-C 111.386 -0.686 . . . . 72.22 111.386 -171.647 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -76.44 -123.2 0.18 Allowed Glycine 0 C--N 1.337 0.599 0 C-N-CA 121.44 -0.409 . . . . 73.44 113.231 -178.156 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -104.17 -38.85 6.74 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 120.874 0.369 . . . . 63.22 111.28 -173.488 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 99.79 66.65 0.84 Allowed Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 121.081 -0.581 . . . . 45.53 111.862 -178.244 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -167.89 137.29 2.58 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.944 -0.391 . . . . 51.12 109.944 -178.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -86.26 57.63 4.6 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.388 0.613 . . . . 71.23 111.061 -178.427 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -85.02 -141.01 5.31 Favored Glycine 0 C--N 1.331 0.27 0 N-CA-C 110.817 -0.913 . . . . 55.55 110.817 174.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.612 ' H ' ' HA ' ' A' ' 30' ' ' LEU . 4.4 p -111.35 151.96 27.83 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.042 -0.725 . . . . 74.01 109.042 175.217 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.67 ' HB2' ' HB3' ' A' ' 48' ' ' GLN . 66.7 m-20 -86.23 133.03 41.56 Favored Pre-proline 0 C--N 1.324 -0.506 0 N-CA-C 109.373 -0.602 . . . . 72.33 109.373 -178.033 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -56.95 -53.15 5.36 Favored 'Trans proline' 0 C--N 1.35 0.625 0 C-N-CA 123.101 2.534 . . . . 63.04 113.242 -174.618 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.492 ' OE1' ' HB3' ' A' ' 45' ' ' ASN . 0.0 OUTLIER -69.3 -31.72 70.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.53 -0.305 . . . . 62.13 110.385 -179.222 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.67 ' HB3' ' HB2' ' A' ' 45' ' ' ASN . 0.8 OUTLIER -63.89 -37.53 87.72 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-O 121.111 0.481 . . . . 74.41 110.336 173.948 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.452 HD11 ' HA3' ' B' ' 53' ' ' GLY . 2.8 tm? -66.73 -52.67 41.71 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 115.746 -0.661 . . . . 71.11 109.307 179.312 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 54.0 t80 -59.26 -40.0 84.64 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.07 -0.514 . . . . 65.21 110.531 177.21 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.37 -52.92 62.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 52.03 110.847 178.586 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.62 -47.36 85.91 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-N 116.091 -0.504 . . . . 73.32 110.665 -179.589 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.408 ' O ' ' SG ' ' A' ' 57' ' ' CYS . . . -58.83 -53.18 48.41 Favored Glycine 0 N--CA 1.45 -0.386 0 CA-C-N 115.685 -0.689 . . . . 45.35 112.294 179.039 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -62.16 -37.3 84.7 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 122.719 0.408 . . . . 74.55 110.441 -179.224 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 32.5 t -59.68 -53.16 61.21 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.102 0.477 . . . . 73.1 110.145 178.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.448 ' HB2' HD23 ' B' ' 30' ' ' LEU . . . -69.85 -35.41 74.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.886 -0.597 . . . . 72.41 111.041 -178.796 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.41 ' SG ' ' HB3' ' B' ' 46' ' ' PRO . 88.8 m -65.32 -36.28 83.58 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.126 -0.488 . . . . 74.4 110.018 177.771 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 33.2 t80 -62.11 -38.06 87.47 Favored 'General case' 0 C--O 1.233 0.232 0 N-CA-C 109.179 -0.675 . . . . 74.24 109.179 179.411 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 47.9 tp -66.08 -51.43 58.17 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 115.174 -0.921 . . . . 74.12 110.632 178.677 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.539 ' HA ' ' HZ2' ' A' ' 63' ' ' LYS . 74.7 m -63.81 -34.97 79.1 Favored 'General case' 0 C--O 1.238 0.449 0 CA-C-O 120.705 0.288 . . . . 74.4 111.138 179.017 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -59.51 -46.47 88.75 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.266 -0.642 . . . . 64.15 109.266 174.647 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 83.6 mmm -64.53 -32.85 74.67 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.645 -0.707 . . . . 61.32 111.084 176.372 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.539 ' HZ2' ' HA ' ' A' ' 60' ' ' SER . 24.2 mtmm -62.6 -41.27 98.87 Favored 'General case' 0 N--CA 1.465 0.309 0 N-CA-C 109.81 -0.441 . . . . 62.32 109.81 177.242 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 44.7 t80 -71.28 -47.86 54.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.208 -0.451 . . . . 70.35 110.385 177.272 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 41.0 t -52.76 -46.57 51.12 Favored 'Isoleucine or valine' 0 C--O 1.237 0.44 0 CA-C-O 121.122 0.487 . . . . 51.41 111.116 179.257 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -56.83 -32.9 66.21 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.022 -0.535 . . . . 55.45 110.563 179.345 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -71.41 -28.2 70.11 Favored Glycine 0 CA--C 1.518 0.219 0 CA-C-N 115.642 -0.708 . . . . 65.01 112.717 -176.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -97.27 -14.91 21.06 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.32 0.581 . . . . 73.33 109.524 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 16.7 m-80 -93.42 -3.92 52.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.197 -0.91 . . . . 73.35 110.316 173.657 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 3.0 mptp? 59.39 23.37 11.88 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 115.547 -0.752 . . . . 70.5 111.496 177.169 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -108.55 162.19 14.36 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.14 -0.936 . . . . 65.11 109.373 176.364 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 17.0 p -124.78 131.46 53.45 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 116.495 -0.321 . . . . 71.13 110.625 -177.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -109.45 137.85 20.4 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-N 116.143 -0.48 . . . . 64.52 110.312 177.338 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 10.4 Cg_endo -56.43 132.89 54.57 Favored 'Trans proline' 0 C--N 1.348 0.523 0 C-N-CA 123.273 2.649 . . . . 75.32 112.935 179.431 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -76.93 1.82 16.54 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 121.206 0.527 . . . . 74.43 111.273 177.28 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -94.71 18.14 12.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.658 0.742 . . . . 72.44 110.219 -179.781 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.5 ' HB ' HD11 ' A' ' 103' ' ' LEU . 8.2 t -90.23 166.52 13.31 Favored 'General case' 0 C--O 1.238 0.456 0 CA-C-N 115.451 -0.795 . . . . 74.0 112.297 -176.407 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.515 HG22 ' HA ' ' B' ' 12' ' ' THR . 1.1 p -148.99 149.48 31.23 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 115.526 -0.761 . . . . 72.13 110.686 -179.714 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 92.6 t -131.55 125.36 56.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 N-CA-C 109.187 -0.671 . . . . 73.54 109.187 173.415 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.421 ' HB ' ' HB3' ' A' ' 100' ' ' ARG . 47.3 m -111.54 113.09 25.27 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 120.676 0.274 . . . . 61.0 110.579 -179.497 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -93.38 106.62 18.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.111 -0.495 . . . . 75.0 109.932 177.662 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.52 ' HA ' ' HA ' ' B' ' 8' ' ' ALA . 32.2 tt0 -107.75 107.85 18.8 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.22 -0.445 . . . . 75.53 109.865 -179.837 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.526 HG11 HG22 ' A' ' 97' ' ' VAL . 34.1 m -99.43 140.11 19.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.359 -0.382 . . . . 74.25 110.745 -177.054 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.405 ' O ' ' HA ' ' A' ' 95' ' ' LEU . . . -129.76 151.1 19.2 Favored Glycine 0 N--CA 1.444 -0.791 0 N-CA-C 111.389 -0.684 . . . . 64.22 111.389 174.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -131.84 128.16 59.56 Favored 'Isoleucine or valine' 0 C--O 1.244 0.774 0 N-CA-C 109.531 -0.544 . . . . 71.32 109.531 179.538 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -155.66 169.85 33.49 Favored Glycine 0 N--CA 1.454 -0.117 0 CA-C-N 115.047 -0.978 . . . . 64.2 111.51 178.764 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . 0.671 ' HD3' ' HG ' ' B' ' 4' ' ' LEU . 3.0 Cg_exo -73.87 127.93 11.95 Favored 'Trans proline' 0 N--CA 1.461 -0.419 0 C-N-CA 122.656 2.237 . . . . 75.13 110.834 175.599 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . 0.45 ' HB3' ' HB1' ' A' ' 94' ' ' ALA . 38.7 p30 -91.86 170.36 9.94 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.102 0.477 . . . . 63.43 111.062 -179.116 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -67.55 -14.04 62.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.722 -0.672 . . . . 74.31 111.342 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -70.6 -26.62 63.59 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 116.349 -0.387 . . . . 62.35 110.224 176.5 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.17 19.72 11.3 Favored Glycine 0 C--N 1.331 0.258 0 CA-C-N 115.954 -0.566 . . . . 52.42 112.444 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . 0.43 ' O ' ' HA ' ' A' ' 87' ' ' PRO . . . -133.41 -152.56 6.87 Favored Glycine 0 C--N 1.328 0.138 0 N-CA-C 111.204 -0.758 . . . . 74.12 111.204 177.517 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 32.9 m-85 -98.05 156.39 16.67 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.847 -0.427 . . . . 72.25 109.847 178.724 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.472 ' HB3' ' HE3' ' B' ' 1' ' ' MET . . . -147.73 136.78 22.18 Favored 'General case' 0 C--O 1.241 0.636 0 CA-C-N 116.41 -0.359 . . . . 73.43 110.727 179.01 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.428 HD11 ' HG2' ' A' ' 47' ' ' GLU . 4.4 mm? -103.25 115.44 30.56 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 115.121 -0.945 . . . . 75.45 109.643 175.639 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 34.5 t0 -109.88 110.48 21.46 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 108.705 -0.85 . . . . 62.1 108.705 179.358 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.625 ' HB ' HG22 ' A' ' 134' ' ' VAL . 56.4 t -112.21 110.65 32.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 N-CA-C 111.898 0.332 . . . . 41.42 111.898 -170.393 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -80.44 111.19 16.61 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 110.215 -0.291 . . . . 52.25 110.215 173.304 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 57.0 mt -93.8 106.93 18.87 Favored 'General case' 0 C--O 1.234 0.253 0 N-CA-C 109.132 -0.692 . . . . 73.33 109.132 173.521 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.59 ' HA ' ' O ' ' A' ' 137' ' ' VAL . 66.0 ttt180 -99.7 107.56 19.69 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.362 -0.835 . . . . 73.43 110.474 -174.409 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 48.3 t -103.17 102.04 13.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.465 -0.334 . . . . 72.23 110.692 -173.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -99.66 101.33 12.49 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.791 0.329 . . . . 73.1 110.31 178.748 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.833 HD23 HD22 ' A' ' 106' ' ' LEU . 35.8 tp -114.45 117.5 42.8 Favored Pre-proline 0 C--N 1.327 -0.378 0 N-CA-C 108.904 -0.776 . . . . 73.31 108.904 179.41 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . 0.512 ' HD2' HD11 ' A' ' 103' ' ' LEU . 57.5 Cg_endo -73.51 148.62 42.9 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.266 1.977 . . . . 73.52 112.273 -175.895 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 74.32 15.05 80.33 Favored Glycine 0 N--CA 1.45 -0.37 0 CA-C-N 115.662 -0.699 . . . . 54.45 112.118 -177.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.833 HD22 HD23 ' A' ' 103' ' ' LEU . 30.5 tp -124.91 140.07 53.26 Favored 'General case' 0 C--O 1.236 0.359 0 C-N-CA 122.825 0.45 . . . . 65.03 110.698 -176.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -75.64 163.34 27.42 Favored 'General case' 0 CA--C 1.512 -0.486 0 CA-C-N 115.992 -0.549 . . . . 72.42 110.611 178.328 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . 0.447 ' O ' ' HG3' ' A' ' 112' ' ' LYS . . . -68.85 -45.07 72.03 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.37 -0.832 . . . . 74.35 109.886 169.714 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -61.49 -44.65 96.7 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-N 115.392 -0.822 . . . . 64.13 110.771 -176.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . 0.477 ' O ' HG22 ' A' ' 113' ' ' THR . . . -72.74 -42.25 64.28 Favored 'General case' 0 C--O 1.237 0.434 0 CA-C-N 115.958 -0.564 . . . . 73.25 110.298 178.502 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -54.63 -38.91 67.41 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 115.969 -0.559 . . . . 54.13 110.864 178.302 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . 0.685 ' HZ2' ' HB3' ' A' ' 112' ' ' LYS . 10.4 mtpm? -51.88 -45.15 64.04 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.273 -0.421 . . . . 74.23 111.247 177.879 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' THR . . . . . 0.478 ' O ' ' HG2' ' A' ' 117' ' ' ARG . 1.1 t -78.56 -37.23 43.23 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 120.958 -0.297 . . . . 74.22 110.517 -176.61 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 50.8 mt -64.07 -47.77 78.81 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 116.458 -0.337 . . . . 61.01 110.572 -178.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . 0.452 HG22 HG13 ' A' ' 138' ' ' VAL . 93.3 t -64.36 -36.77 78.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.304 -0.407 . . . . 72.22 110.101 177.805 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -57.97 -58.38 8.67 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 121.026 0.441 . . . . 65.51 110.745 179.679 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . 0.478 ' HG2' ' O ' ' A' ' 113' ' ' THR . 9.2 ptm180 -64.98 -40.88 95.64 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-N 115.844 -0.616 . . . . 65.24 110.8 -177.225 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . 0.426 ' HA ' HG23 ' A' ' 121' ' ' VAL . . . -61.22 -35.93 78.55 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.05 -0.523 . . . . 63.41 110.302 177.448 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . 0.467 ' O ' ' HB3' ' A' ' 125' ' ' SER . 41.9 t-80 -80.44 8.09 8.4 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 115.704 -0.68 . . . . 74.13 110.55 178.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 22.0 m-70 -108.86 -47.51 3.44 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.139 -0.482 . . . . 75.14 110.4 171.41 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . 0.426 HG23 ' HA ' ' A' ' 118' ' ' ALA . 33.7 m -67.8 -34.75 69.43 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.419 0 N-CA-C 112.615 0.598 . . . . 74.54 112.615 -173.459 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' CYS . . . . . 0.402 ' HB2' ' HG ' ' A' ' 125' ' ' SER . 80.4 m -68.14 129.08 93.17 Favored Pre-proline 0 CA--C 1.535 0.397 0 N-CA-C 110.371 -0.233 . . . . 72.12 110.371 179.698 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -58.76 -38.57 88.2 Favored 'Trans proline' 0 C--N 1.352 0.741 0 C-N-CA 122.779 2.32 . . . . 75.04 112.942 -174.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 28.2 m-85 -64.28 -18.44 64.58 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 116.399 -0.364 . . . . 65.44 110.986 -178.095 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' SER . . . . . 0.532 ' HA ' HG23 ' A' ' 128' ' ' THR . 19.4 m -63.25 -37.26 86.53 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.113 -0.494 . . . . 65.33 112.302 -172.831 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 56.2 t30 -59.53 -46.55 88.54 Favored 'General case' 0 C--O 1.239 0.535 0 CA-C-O 121.298 0.57 . . . . 73.42 110.322 -176.239 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . 0.574 ' O ' ' HB3' ' A' ' 131' ' ' ASN . . . -68.4 -17.61 64.26 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.35 -0.841 . . . . 54.1 111.539 179.817 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' THR . . . . . 0.556 ' HA ' ' HB ' ' A' ' 132' ' ' VAL . 0.8 OUTLIER -108.32 9.55 27.83 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.346 0.593 . . . . 73.21 109.924 -170.504 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 3.7 ptm180 -125.55 -55.79 1.52 Allowed 'General case' 0 C--O 1.232 0.164 0 CA-C-N 115.832 -0.622 . . . . 72.04 110.658 178.647 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -78.76 -42.0 29.17 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.281 0.562 . . . . 71.52 110.534 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . 0.574 ' HB3' ' O ' ' A' ' 127' ' ' ALA . 2.5 t-20 -86.23 -43.09 13.25 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.532 -0.758 . . . . 72.12 111.04 -176.078 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . 0.556 ' HB ' ' HA ' ' A' ' 128' ' ' THR . 61.7 t -117.44 148.43 20.21 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.251 0 CA-C-N 116.545 -0.298 . . . . 70.22 110.73 -173.724 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -89.71 103.35 16.01 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.191 0.52 . . . . 45.42 110.576 -179.635 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . 0.625 HG22 ' HB ' ' A' ' 97' ' ' VAL . 71.5 t -116.67 124.1 72.39 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 115.824 -0.626 . . . . 75.02 111.028 177.678 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 3.1 tpp180 -90.26 117.39 28.97 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.405 -0.816 . . . . 74.34 109.388 178.138 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . 0.424 HD23 ' HA ' ' A' ' 136' ' ' LEU . 50.7 mt -87.41 109.49 19.6 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.274 0.559 . . . . 50.04 111.169 -178.788 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . 0.59 ' O ' ' HA ' ' A' ' 100' ' ' ARG . 0.2 OUTLIER -115.07 114.0 45.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.221 -0.899 . . . . 74.42 110.077 179.846 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . 0.452 HG13 HG22 ' A' ' 115' ' ' VAL . 3.6 m -94.01 138.87 19.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.8 -0.636 . . . . 71.15 109.896 -179.022 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.314 -0.939 0 CA-C-N 115.83 -0.623 . . . . 73.13 111.135 -175.195 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.472 ' HE3' ' HB3' ' A' ' 94' ' ' ALA . 28.1 ptm . . . . . 0 C--O 1.234 0.252 0 CA-C-O 120.717 0.294 . . . . 72.42 110.769 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 56.6 t30 -99.44 84.78 3.04 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.045 -0.525 . . . . 61.35 109.791 179.117 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . 0.487 HG22 ' HB2' ' B' ' 6' ' ' LYS . 28.5 mm -70.39 122.89 23.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.933 -0.576 . . . . 72.42 111.321 179.554 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . 0.671 ' HG ' ' HD3' ' A' ' 87' ' ' PRO . 88.2 mt -79.59 -45.94 18.21 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.621 -0.718 . . . . 75.25 109.744 176.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 5' ' ' TYR . . . . . . . . . . . . . 23.7 t80 -137.48 132.68 33.67 Favored 'General case' 0 CA--C 1.517 -0.318 0 CA-C-N 115.834 -0.621 . . . . 75.45 109.774 -177.456 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . 0.487 ' HB2' HG22 ' B' ' 3' ' ' ILE . 37.9 ttmt -136.36 135.93 39.24 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.903 0.382 . . . . 65.01 110.661 177.601 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 5.1 t -133.68 139.48 46.45 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.953 -0.567 . . . . 73.02 109.871 179.076 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . 0.52 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . . . -110.25 143.92 39.7 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.077 -0.51 . . . . 64.22 110.268 -177.614 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . 0.429 ' HA ' ' H ' ' B' ' 22' ' ' HIS . . . -132.75 119.6 20.54 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.947 0.403 . . . . 71.2 110.353 177.236 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 89.8 m -91.38 123.94 35.19 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.842 -0.617 . . . . 64.31 110.682 -177.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 43.1 t -111.69 113.65 26.15 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.855 -0.611 . . . . 74.14 109.667 178.352 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 12' ' ' THR . . . . . 0.515 ' HA ' HG22 ' A' ' 78' ' ' THR . 4.4 m -102.0 158.32 16.23 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.701 0.286 . . . . 73.24 110.67 179.574 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -81.18 73.19 2.62 Favored Glycine 0 N--CA 1.45 -0.405 0 N-CA-C 111.254 -0.738 . . . . 71.12 111.254 174.042 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -63.6 -106.93 0.01 OUTLIER Glycine 0 C--N 1.336 0.533 0 C-N-CA 121.218 -0.515 . . . . 73.4 112.621 -179.585 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . 0.47 ' CG ' ' HB1' ' B' ' 41' ' ' ALA . 6.0 tpm_? -88.85 -52.67 4.99 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.309 -0.626 . . . . 65.14 109.309 174.028 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 16' ' ' ASP . . . . . 0.502 ' HB3' ' HA ' ' B' ' 31' ' ' SER . 25.1 t70 -125.73 -42.76 1.9 Allowed 'General case' 0 C--O 1.236 0.365 0 CA-C-N 116.155 -0.475 . . . . 65.33 109.851 169.172 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -156.24 143.14 9.41 Favored Glycine 0 N--CA 1.446 -0.695 0 C-N-CA 120.138 -1.03 . . . . 74.22 112.222 168.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 41.7 ttt180 -117.11 150.89 37.93 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 108.646 -0.872 . . . . 74.4 108.646 175.166 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -144.44 123.54 12.88 Favored 'General case' 0 C--N 1.317 -0.826 0 N-CA-C 109.302 -0.629 . . . . 64.31 109.302 179.495 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 20' ' ' THR . . . . . 0.464 ' HA ' ' O ' ' B' ' 26' ' ' LEU . 28.0 m -141.12 110.93 6.5 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 116.419 -0.355 . . . . 75.11 110.183 -177.719 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 21' ' ' SER . . . . . 0.573 ' HB2' ' HB3' ' B' ' 26' ' ' LEU . 9.3 t -65.87 107.95 2.0 Allowed 'General case' 0 C--O 1.251 1.154 0 N-CA-C 106.563 -1.644 . . . . 74.21 106.563 176.57 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 22' ' ' HIS . . . . . 0.429 ' H ' ' HA ' ' B' ' 9' ' ' ALA . 23.4 t60 -58.73 -21.49 55.28 Favored 'General case' 0 N--CA 1.466 0.351 0 O-C-N 126.77 2.544 . . . . 73.12 112.723 -163.349 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . 0.476 ' OD2' ' HE3' ' B' ' 25' ' ' LYS . 32.6 p30 -80.5 18.37 0.94 Allowed 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.457 0.646 . . . . 63.54 110.029 177.228 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . 0.401 ' H ' ' C ' ' B' ' 22' ' ' HIS . 34.5 mm-40 72.05 23.01 3.55 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 114.637 -1.165 . . . . 71.43 112.035 170.238 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.476 ' HE3' ' OD2' ' B' ' 23' ' ' ASP . 16.8 ptpt -98.54 -26.14 14.52 Favored 'General case' 0 C--O 1.235 0.294 0 C-N-CA 120.492 -0.483 . . . . 41.25 111.601 178.074 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . 0.573 ' HB3' ' HB2' ' B' ' 21' ' ' SER . 60.7 tp -134.15 138.92 45.53 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 118.882 -1.127 . . . . 73.34 112.327 -176.68 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -150.86 92.66 1.85 Allowed 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 115.004 -0.998 . . . . 53.33 110.595 -177.7 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 3.3 m -140.79 178.09 3.34 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.497 0 CA-C-O 121.375 0.607 . . . . 74.12 111.944 -179.474 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.653 ' HB3' ' HZ3' ' B' ' 29' ' ' LYS . 1.2 ttpm? -134.24 146.28 49.94 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 115.13 -0.941 . . . . 74.12 110.362 179.656 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . 0.805 ' HA ' ' H ' ' B' ' 44' ' ' THR . 0.0 OUTLIER -129.3 169.89 14.3 Favored 'General case' 0 C--O 1.252 1.19 0 N-CA-C 109.669 -0.493 . . . . 72.32 109.669 173.046 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 31' ' ' SER . . . . . 0.502 ' HA ' ' HB3' ' B' ' 16' ' ' ASP . 15.7 p -168.33 149.09 4.86 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 115.934 -0.576 . . . . 62.35 112.004 -171.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.68 130.19 85.24 Favored Pre-proline 0 C--O 1.237 0.42 0 CA-C-N 115.453 -0.794 . . . . 75.13 110.062 172.721 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 33' ' ' PRO . . . . . . . . . . . . . 75.4 Cg_exo -50.18 105.72 0.11 Allowed 'Trans proline' 0 C--N 1.35 0.657 0 C-N-CA 123.332 2.688 . . . . 72.21 113.618 -174.631 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 9.8 mmm180 -59.14 -14.27 9.78 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 115.808 -0.633 . . . . 71.43 110.698 172.596 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . 0.623 ' HG2' ' HE2' ' A' ' 5' ' ' TYR . 1.0 OUTLIER -49.5 -46.08 47.87 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 115.742 -0.663 . . . . 72.42 110.763 172.848 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . 0.46 HD13 ' HB2' ' A' ' 5' ' ' TYR . 67.2 mt -100.47 16.09 25.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.635 -0.711 . . . . 63.52 109.96 -179.601 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 72.32 44.05 44.15 Favored Glycine 0 N--CA 1.449 -0.488 0 CA-C-N 115.792 -0.64 . . . . 51.22 111.542 -175.077 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . 0.414 ' O ' ' HB3' ' B' ' 39' ' ' ALA . . . -59.9 -25.88 62.27 Favored Glycine 0 C--N 1.335 0.499 0 C-N-CA 121.182 -0.532 . . . . 64.12 112.466 -177.24 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 39' ' ' ALA . . . . . 0.414 ' HB3' ' O ' ' B' ' 38' ' ' GLY . . . 77.44 6.07 3.01 Favored 'General case' 0 CA--C 1.503 -0.857 0 CA-C-O 122.671 1.224 . . . . 71.25 108.893 175.161 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -75.17 -96.46 0.13 Allowed Glycine 0 N--CA 1.415 -2.708 0 CA-C-N 112.169 -2.287 . . . . 53.13 112.581 179.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . 0.47 ' HB1' ' CG ' ' B' ' 15' ' ' ARG . . . -172.4 -171.85 0.86 Allowed 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 122.627 0.371 . . . . 75.21 110.23 -176.709 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -107.6 55.22 0.65 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.621 0.724 . . . . 74.14 109.39 178.431 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -101.26 -116.75 4.1 Favored Glycine 0 CA--C 1.519 0.283 0 CA-C-N 114.547 -1.206 . . . . 72.12 112.019 179.406 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 44' ' ' THR . . . . . 0.805 ' H ' ' HA ' ' B' ' 30' ' ' LEU . 32.7 m -125.09 147.22 49.09 Favored 'General case' 0 N--CA 1.453 -0.286 0 N-CA-C 109.447 -0.575 . . . . 70.51 109.447 179.044 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 45' ' ' ASN . . . . . 0.439 ' HA ' ' HD3' ' B' ' 46' ' ' PRO . 1.6 m-20 -81.52 135.32 49.91 Favored Pre-proline 0 C--N 1.328 -0.356 0 N-CA-C 109.922 -0.399 . . . . 71.14 109.922 -178.55 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 46' ' ' PRO . . . . . 0.439 ' HD3' ' HA ' ' B' ' 45' ' ' ASN . 40.8 Cg_exo -57.78 -56.11 1.92 Allowed 'Trans proline' 0 C--N 1.352 0.739 0 C-N-CA 123.268 2.645 . . . . 54.41 113.64 -174.251 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 47' ' ' GLU . . . . . 0.453 ' HB2' HG21 ' B' ' 83' ' ' VAL . 0.0 OUTLIER -68.57 -31.39 70.57 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-O 121.148 0.499 . . . . 73.03 109.933 -176.552 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . 0.432 ' NE2' ' OG ' ' A' ' 21' ' ' SER . 62.1 tt0 -64.81 -40.65 95.55 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.26 -0.882 . . . . 65.22 110.019 175.594 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -64.31 -48.91 73.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.478 -0.783 . . . . 73.15 109.599 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 39.5 t80 -59.44 -45.89 90.29 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 116.379 -0.373 . . . . 74.53 110.558 177.535 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.91 -52.97 63.09 Favored 'General case' 0 C--O 1.237 0.423 0 CA-C-O 120.785 0.326 . . . . 63.22 111.339 -178.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.65 -52.32 66.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.077 -0.51 . . . . 74.31 111.035 179.666 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . 0.452 ' HA3' HD11 ' A' ' 49' ' ' LEU . . . -61.55 -38.26 95.53 Favored Glycine 0 C--N 1.331 0.267 0 C-N-CA 121.111 -0.566 . . . . 73.22 112.42 -178.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 54' ' ' TYR . . . . . 0.661 ' HH ' ' HA ' ' B' ' 125' ' ' SER . 2.8 t80 -65.3 -51.67 59.18 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 122.626 0.37 . . . . 73.43 110.664 179.529 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 55' ' ' SER . . . . . 0.572 ' HB3' ' HB2' ' B' ' 81' ' ' ALA . 19.1 p -58.65 -47.82 83.14 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.887 0.375 . . . . 71.55 110.477 -179.218 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 56' ' ' ALA . . . . . 0.436 ' HB3' HD11 ' A' ' 30' ' ' LEU . . . -61.63 -40.76 96.03 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 115.916 -0.584 . . . . 72.32 110.906 177.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 57' ' ' CYS . . . . . . . . . . . . . 52.5 t -65.32 -36.39 83.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.043 -0.526 . . . . 72.4 110.009 178.654 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 42.3 t80 -69.05 -30.33 68.66 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 115.756 -0.656 . . . . 61.11 109.885 -176.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -61.74 -52.31 64.78 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-N 115.51 -0.768 . . . . 73.31 109.036 177.001 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 60' ' ' SER . . . . . 0.461 ' O ' ' HB2' ' B' ' 63' ' ' LYS . 46.7 t -61.12 -42.12 97.96 Favored 'General case' 0 C--O 1.242 0.692 0 CA-C-O 121.352 0.596 . . . . 73.23 110.132 177.258 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . 0.477 ' O ' HG21 ' B' ' 65' ' ' VAL . . . -54.37 -45.72 72.85 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.783 -0.644 . . . . 44.1 110.242 177.067 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 62' ' ' MET . . . . . 0.496 ' HA ' ' HB ' ' B' ' 65' ' ' VAL . 19.7 mtp -71.76 -25.1 61.9 Favored 'General case' 0 N--CA 1.461 0.097 0 CA-C-N 116.436 -0.347 . . . . 71.0 111.344 179.352 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . 0.461 ' HB2' ' O ' ' B' ' 60' ' ' SER . 72.3 mmtt -60.72 -47.89 84.25 Favored 'General case' 0 C--O 1.233 0.217 0 N-CA-C 109.022 -0.733 . . . . 72.03 109.022 172.868 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 29.1 t80 -68.32 -44.77 74.64 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 115.792 -0.64 . . . . 73.11 110.897 176.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . 0.496 ' HB ' ' HA ' ' B' ' 62' ' ' MET . 46.4 t -56.36 -50.74 70.49 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.208 0 CA-C-O 120.849 0.357 . . . . 75.05 110.783 -179.602 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -56.43 -32.8 65.23 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.285 -0.416 . . . . 74.13 110.463 179.703 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -69.51 -35.87 76.0 Favored Glycine 0 N--CA 1.452 -0.291 0 CA-C-N 115.661 -0.699 . . . . 75.04 112.209 -178.474 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -91.5 -13.66 31.8 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.381 0.61 . . . . 64.5 109.394 -176.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 15.9 m-80 -95.29 2.27 54.73 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.104 -0.953 . . . . 65.21 110.744 176.237 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 2.5 mptp? 60.88 26.05 15.95 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 115.795 -0.639 . . . . 73.12 111.492 175.029 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -117.78 165.55 13.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.711 -0.677 . . . . 74.24 110.101 179.576 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 34.5 p -120.78 141.33 50.61 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.402 -0.363 . . . . 74.12 110.561 179.331 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . 0.436 HD13 ' HE3' ' B' ' 62' ' ' MET . 96.9 mt -109.39 137.65 20.32 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-N 116.222 -0.445 . . . . 75.15 110.003 177.307 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 74' ' ' PRO . . . . . 0.476 ' HD2' HD11 ' B' ' 103' ' ' LEU . 39.7 Cg_exo -62.56 151.81 81.14 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.728 2.285 . . . . 74.32 111.98 177.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -77.13 -24.0 51.68 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.35 0.595 . . . . 71.53 111.324 -179.03 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -82.76 23.47 0.81 Allowed 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.171 -0.922 . . . . 60.22 111.874 -173.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 77' ' ' THR . . . . . . . . . . . . . 7.9 t -94.94 159.94 14.8 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.088 0.471 . . . . 73.25 111.78 -175.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 25.6 m -154.54 150.84 28.19 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 115.886 -0.597 . . . . 71.23 109.725 -178.453 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 73.5 t -125.17 117.93 51.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 N-CA-C 109.995 -0.372 . . . . 54.24 109.995 175.244 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 21.2 m -101.58 110.49 22.49 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 120.949 0.404 . . . . 75.2 110.44 -179.3 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 81' ' ' ALA . . . . . 0.572 ' HB2' ' HB3' ' B' ' 55' ' ' SER . . . -94.24 107.58 19.51 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.796 -0.638 . . . . 73.43 110.854 -179.042 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 82' ' ' GLU . . . . . 0.598 ' HB3' ' HB3' ' B' ' 98' ' ' GLU . 35.2 tt0 -90.8 139.95 30.26 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.17 -0.678 . . . . 71.23 109.17 172.789 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . 0.453 HG21 ' HB2' ' B' ' 47' ' ' GLU . 9.0 p -142.42 136.64 28.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-O 120.811 0.339 . . . . 71.44 110.211 179.736 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 84' ' ' GLY . . . . . . . . . . . . . . . -140.57 165.53 26.09 Favored Glycine 0 N--CA 1.447 -0.594 0 N-CA-C 111.807 -0.517 . . . . 52.45 111.807 178.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -145.05 131.21 14.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 N-CA-C 109.546 -0.539 . . . . 73.1 109.546 -178.144 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 86' ' ' GLY . . . . . 0.415 ' HA2' ' HG ' ' A' ' 4' ' ' LEU . . . -155.63 169.63 33.46 Favored Glycine 0 N--CA 1.452 -0.256 0 CA-C-N 115.477 -0.783 . . . . 52.3 111.237 177.896 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 87' ' ' PRO . . . . . 0.735 ' HD3' ' HG ' ' A' ' 4' ' ' LEU . 5.4 Cg_exo -79.22 124.17 5.87 Favored 'Trans proline' 0 N--CA 1.458 -0.61 0 C-N-CA 122.736 2.291 . . . . 70.05 110.959 176.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 88' ' ' ASN . . . . . . . . . . . . . 36.5 p30 -76.45 167.4 21.91 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.433 -0.348 . . . . 72.3 110.393 178.792 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -66.65 -15.74 63.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 71.21 111.426 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -78.35 -21.21 49.84 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-N 115.8 -0.636 . . . . 74.05 111.52 -177.456 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.2 35.14 3.47 Favored Glycine 0 CA--C 1.517 0.163 0 CA-C-N 116.212 -0.449 . . . . 72.2 112.711 177.408 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 92' ' ' GLY . . . . . 0.447 ' O ' ' HA ' ' B' ' 87' ' ' PRO . . . -146.07 -166.75 12.21 Favored Glycine 0 N--CA 1.452 -0.27 0 N-CA-C 111.086 -0.806 . . . . 70.13 111.086 177.288 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 93' ' ' PHE . . . . . . . . . . . . . 54.0 m-85 -97.72 149.3 22.45 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.612 -0.514 . . . . 73.12 109.612 178.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -144.5 140.36 28.83 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.441 -0.345 . . . . 62.21 110.136 -177.146 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -100.09 127.93 46.26 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.676 -0.693 . . . . 74.21 109.932 179.171 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 96' ' ' ASP . . . . . 0.581 ' HB2' ' SD ' ' A' ' 1' ' ' MET . 18.4 t70 -109.88 110.2 21.08 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 108.317 -0.994 . . . . 73.53 108.317 177.447 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 97' ' ' VAL . . . . . 0.782 ' HB ' HG23 ' B' ' 134' ' ' VAL . 47.3 t -116.94 146.52 21.25 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 CA-C-N 116.217 -0.447 . . . . 65.34 110.616 -174.411 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 98' ' ' GLU . . . . . 0.598 ' HB3' ' HB3' ' B' ' 82' ' ' GLU . 34.3 tt0 -139.98 109.0 6.03 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.114 -0.493 . . . . 74.42 109.72 -178.621 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 96.0 mt -96.91 110.8 23.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.489 -0.323 . . . . 75.14 110.322 -178.191 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 100' ' ' ARG . . . . . 0.444 ' HA ' ' O ' ' B' ' 137' ' ' VAL . 97.4 mtt180 -99.37 118.15 35.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.105 -0.498 . . . . 70.24 110.012 -178.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 101' ' ' VAL . . . . . . . . . . . . . 92.3 t -100.81 100.23 9.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 116.113 -0.494 . . . . 60.12 110.16 -177.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 102' ' ' ALA . . . . . 0.477 ' HA ' ' HB3' ' B' ' 139' ' ' ALA . . . -91.82 101.23 13.82 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 108.951 -0.759 . . . . 53.32 108.951 177.013 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 103' ' ' LEU . . . . . 0.527 HD13 ' HD2' ' B' ' 104' ' ' PRO . 14.5 tp -124.19 106.74 30.62 Favored Pre-proline 0 C--N 1.325 -0.495 0 N-CA-C 108.924 -0.769 . . . . 72.24 108.924 -176.258 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 104' ' ' PRO . . . . . 0.527 ' HD2' HD13 ' B' ' 103' ' ' LEU . 69.5 Cg_endo -72.88 153.65 53.14 Favored 'Trans proline' 0 C--N 1.347 0.488 0 C-N-CA 123.199 2.599 . . . . 74.24 112.969 -173.222 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 105' ' ' GLY . . . . . . . . . . . . . . . 72.36 15.25 77.1 Favored Glycine 0 C--N 1.331 0.252 0 CA-C-N 116.008 -0.542 . . . . 72.34 112.469 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 106' ' ' LEU . . . . . 0.507 HD22 ' HA ' ' B' ' 111' ' ' ALA . 21.8 tp -130.98 144.23 51.32 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 122.794 0.438 . . . . 65.44 110.631 -174.433 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 107' ' ' ASP . . . . . 0.423 ' O ' ' HB1' ' B' ' 111' ' ' ALA . 2.0 t70 -74.82 163.26 27.86 Favored 'General case' 0 CA--C 1.511 -0.548 0 CA-C-O 120.844 0.354 . . . . 63.12 110.784 178.437 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 108' ' ' ALA . . . . . 0.506 ' O ' ' HG3' ' B' ' 112' ' ' LYS . . . -68.55 -45.32 72.46 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.298 -0.865 . . . . 74.55 110.023 170.411 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -60.45 -49.54 77.16 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.67 -0.695 . . . . 64.51 110.469 -176.509 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 110' ' ' ALA . . . . . 0.505 ' O ' ' HG ' ' B' ' 114' ' ' LEU . . . -69.34 -41.61 76.41 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.516 -0.765 . . . . 72.03 110.096 179.147 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 111' ' ' ALA . . . . . 0.507 ' HA ' HD22 ' B' ' 106' ' ' LEU . . . -54.91 -41.68 71.25 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 115.96 -0.564 . . . . 64.14 111.292 179.631 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 112' ' ' LYS . . . . . 0.506 ' HG3' ' O ' ' B' ' 108' ' ' ALA . 49.2 mtmt -54.24 -49.48 69.38 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.797 0.332 . . . . 74.45 111.122 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 113' ' ' THR . . . . . 0.471 HG22 ' O ' ' B' ' 110' ' ' ALA . 1.1 t -70.48 -34.2 72.11 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.237 -0.438 . . . . 72.03 110.463 -177.184 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 114' ' ' LEU . . . . . 0.505 ' HG ' ' O ' ' B' ' 110' ' ' ALA . 43.0 mt -66.17 -39.04 89.46 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 121.149 0.5 . . . . 72.05 109.913 177.433 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 115' ' ' VAL . . . . . 0.555 HG21 HG13 ' B' ' 138' ' ' VAL . 76.9 t -66.77 -37.79 80.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.695 -0.684 . . . . 63.55 110.065 175.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -58.82 -60.71 3.41 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.019 -0.537 . . . . 75.43 110.958 177.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 117' ' ' ARG . . . . . . . . . . . . . 14.2 ptm180 -62.28 -39.65 93.63 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 115.977 -0.556 . . . . 70.2 110.717 -177.651 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -60.33 -39.36 86.81 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.999 0.428 . . . . 61.11 110.204 176.232 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 119' ' ' HIS . . . . . 0.511 ' HA ' ' HB2' ' B' ' 125' ' ' SER . 59.2 m80 -88.99 10.76 20.35 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 115.977 -0.556 . . . . 74.31 111.227 178.582 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 10.1 t60 -108.49 -40.22 5.18 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.17 -0.468 . . . . 73.32 110.034 179.046 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 34.8 m -86.47 -34.42 7.92 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.249 0 CA-C-N 116.079 -0.51 . . . . 73.14 112.113 -175.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 122' ' ' CYS . . . . . 0.563 ' HB2' ' OG ' ' B' ' 125' ' ' SER . 60.8 m -77.95 135.1 63.4 Favored Pre-proline 0 CA--C 1.537 0.46 0 CA-C-O 120.531 0.205 . . . . 74.53 110.762 -177.735 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 123' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' B' ' 122' ' ' CYS . 52.6 Cg_exo -54.2 -63.19 0.23 Allowed 'Trans proline' 0 C--N 1.349 0.604 0 C-N-CA 123.102 2.535 . . . . 65.25 112.904 -176.673 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 124' ' ' TYR . . . . . 0.448 ' O ' ' HB ' ' B' ' 128' ' ' THR . 28.6 m-85 -52.61 -30.91 33.83 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 116.136 -0.484 . . . . 65.35 111.406 -176.595 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 125' ' ' SER . . . . . 0.661 ' HA ' ' HH ' ' B' ' 54' ' ' TYR . 52.0 p -84.29 -35.24 23.47 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.556 -0.293 . . . . 64.23 111.753 -175.351 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 126' ' ' ASN . . . . . . . . . . . . . 44.3 t30 -59.46 -41.83 90.61 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 108.767 -0.827 . . . . 74.24 108.767 175.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 127' ' ' ALA . . . . . 0.641 ' O ' ' HB3' ' B' ' 131' ' ' ASN . . . -88.1 6.38 36.59 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 114.598 -1.183 . . . . 74.33 112.164 -179.05 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 128' ' ' THR . . . . . 0.531 HG21 ' O ' ' B' ' 125' ' ' SER . 1.2 t -103.01 -22.67 13.76 Favored 'General case' 0 CA--C 1.517 -0.289 0 O-C-N 121.649 -0.657 . . . . 64.4 109.479 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 129' ' ' ARG . . . . . . . . . . . . . 13.9 ptm180 -102.49 -45.36 5.09 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.634 -0.712 . . . . 75.21 109.35 -175.222 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 130' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -78.9 -28.38 43.98 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.182 -0.917 . . . . 74.14 111.432 -179.175 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 131' ' ' ASN . . . . . 0.641 ' HB3' ' O ' ' B' ' 127' ' ' ALA . 0.2 OUTLIER -102.81 -39.41 7.0 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 116.146 -0.479 . . . . 75.43 110.78 -174.67 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 132' ' ' VAL . . . . . . . . . . . . . 34.1 t -115.35 157.91 15.89 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 CA-C-O 120.941 0.4 . . . . 62.31 111.186 -172.048 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 133' ' ' ALA . . . . . . . . . . . . . . . -84.44 90.32 7.58 Favored 'General case' 0 C--O 1.241 0.63 0 CA-C-O 121.655 0.741 . . . . 72.23 110.449 178.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 134' ' ' VAL . . . . . 0.782 HG23 ' HB ' ' B' ' 97' ' ' VAL . 59.1 t -127.74 122.97 60.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 114.846 -1.07 . . . . 64.53 110.958 -176.806 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 135' ' ' ARG . . . . . 0.406 HH12 ' CG ' ' B' ' 96' ' ' ASP . 87.5 mtm-85 -84.87 119.52 25.43 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.31 -0.404 . . . . 74.32 110.075 175.009 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 73.9 mt -85.86 104.65 15.72 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-O 121.182 0.515 . . . . 72.41 109.785 174.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 137' ' ' VAL . . . . . 0.444 ' O ' ' HA ' ' B' ' 100' ' ' ARG . 0.1 OUTLIER -115.95 127.85 73.41 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-N 114.825 -1.08 . . . . 74.23 109.778 -176.511 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 138' ' ' VAL . . . . . 0.555 HG13 HG21 ' B' ' 115' ' ' VAL . 3.6 m -100.38 138.27 25.23 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 N-CA-C 109.478 -0.564 . . . . 70.52 109.478 -178.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 139' ' ' ALA . . . . . 0.477 ' HB3' ' HA ' ' B' ' 102' ' ' ALA . . . . . . . . 0 C--O 1.25 1.101 0 CA-C-O 118.578 -0.725 . . . . 71.35 110.67 -172.494 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.5 ptt? . . . . . 0 N--CA 1.483 1.177 0 CA-C-O 120.726 0.298 . . . . 71.43 110.293 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 41.7 t30 -69.8 76.54 0.45 Allowed 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 116.089 -0.505 . . . . 75.52 110.868 176.644 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.418 HG23 ' HB2' ' A' ' 6' ' ' LYS . 30.8 mm -73.82 133.96 30.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 116.031 -0.532 . . . . 51.02 111.235 174.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.648 ' HG ' ' HD3' ' B' ' 87' ' ' PRO . 89.6 mt -89.85 -49.5 6.58 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.58 -0.737 . . . . 74.21 109.848 174.263 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 42.1 t80 -131.99 131.48 42.6 Favored 'General case' 0 CA--C 1.517 -0.293 0 CA-C-N 115.903 -0.589 . . . . 73.42 109.652 -177.068 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.418 ' HB2' HG23 ' A' ' 3' ' ' ILE . 37.8 ttmt -136.05 143.72 44.85 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.456 -0.338 . . . . 62.42 110.663 176.627 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 10.3 t -147.71 146.01 29.09 Favored 'General case' 0 C--O 1.239 0.501 0 CA-C-N 115.809 -0.632 . . . . 73.02 109.458 176.597 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -112.07 134.63 53.5 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.141 0.496 . . . . 64.34 110.954 -178.388 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.403 ' HA ' ' HA ' ' A' ' 21' ' ' SER . . . -129.29 121.79 28.26 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.883 -0.598 . . . . 73.03 109.486 177.097 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.546 ' HA ' ' HA ' ' B' ' 80' ' ' THR . 14.5 t -99.39 146.09 26.68 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.708 -0.478 . . . . 73.43 109.708 -177.81 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 26.6 p -130.47 113.51 14.38 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 121.036 0.446 . . . . 74.42 110.379 -178.117 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.5 m -92.88 154.91 17.93 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.811 -0.631 . . . . 72.12 110.438 -178.511 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -81.03 77.72 1.99 Allowed Glycine 0 N--CA 1.447 -0.625 0 C-N-CA 120.748 -0.739 . . . . 62.44 111.884 176.7 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -61.76 -129.17 0.01 OUTLIER Glycine 0 CA--C 1.527 0.815 0 C-N-CA 121.05 -0.595 . . . . 62.02 112.426 172.07 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 26.5 tpt180 -70.36 -51.86 26.86 Favored 'General case' 0 N--CA 1.465 0.276 0 O-C-N 122.247 -0.56 . . . . 73.04 110.081 177.127 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.535 ' HB3' ' HA ' ' A' ' 31' ' ' SER . 17.2 t70 -125.56 -42.33 1.96 Allowed 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 108.912 -0.773 . . . . 74.22 108.912 175.651 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -164.28 152.71 22.63 Favored Glycine 0 C--N 1.341 0.842 0 C-N-CA 119.946 -1.121 . . . . 73.12 112.083 167.392 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.499 ' HA ' ' HA ' ' A' ' 29' ' ' LYS . 65.8 ttt180 -126.42 150.43 48.64 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 108.667 -0.864 . . . . 73.24 108.667 173.054 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.498 ' HB3' ' HB2' ' B' ' 52' ' ' ALA . . . -140.13 123.8 17.26 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.658 -0.497 . . . . 71.12 109.658 -179.125 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 62.5 m -142.42 114.82 8.42 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.028 -0.533 . . . . 65.23 110.976 -173.664 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.612 ' HB3' ' N ' ' A' ' 26' ' ' LEU . 27.5 t -71.1 111.45 6.47 Favored 'General case' 0 C--O 1.245 0.83 0 N-CA-C 107.38 -1.341 . . . . 62.3 107.38 173.884 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 59.2 t-80 -55.34 -24.47 29.34 Favored 'General case' 0 N--CA 1.466 0.354 0 O-C-N 125.737 1.898 . . . . 71.44 111.894 -166.483 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.469 ' HB3' ' HE2' ' A' ' 25' ' ' LYS . 30.7 t70 -80.69 15.35 1.75 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.153 -0.476 . . . . 73.43 110.246 -179.045 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 31.7 mm-40 68.73 17.04 8.91 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 115.756 -0.656 . . . . 72.53 110.329 -178.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.494 ' HE3' ' OE1' ' B' ' 48' ' ' GLN . 56.5 mtmt -85.91 -13.29 48.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.698 -0.683 . . . . 73.44 110.851 179.1 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.612 ' N ' ' HB3' ' A' ' 21' ' ' SER . 42.7 tp -156.96 146.22 20.31 Favored 'General case' 0 C--O 1.222 -0.357 0 C-N-CA 120.282 -0.567 . . . . 74.42 111.009 172.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -161.26 99.78 1.19 Allowed 'General case' 0 N--CA 1.466 0.328 0 O-C-N 123.447 0.467 . . . . 74.5 110.661 174.685 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 2.7 m -148.86 177.81 0.82 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.61 0 C-N-CA 122.734 0.413 . . . . 62.12 111.273 176.768 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.499 ' HA ' ' HA ' ' A' ' 18' ' ' ARG . 0.0 OUTLIER -124.59 142.4 51.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.806 -0.634 . . . . 62.42 110.167 177.771 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.565 ' HB2' ' O ' ' A' ' 44' ' ' THR . 0.0 OUTLIER -124.5 166.22 16.42 Favored 'General case' 0 C--O 1.25 1.087 0 CA-C-N 116.047 -0.524 . . . . 73.21 109.618 175.316 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.535 ' HA ' ' HB3' ' A' ' 16' ' ' ASP . 58.4 p -173.74 134.15 0.47 Allowed 'General case' 0 N--CA 1.445 -0.694 0 CA-C-N 115.959 -0.564 . . . . 75.34 111.504 -172.754 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -74.16 138.95 75.52 Favored Pre-proline 0 C--N 1.322 -0.614 0 N-CA-C 108.715 -0.846 . . . . 52.21 108.715 168.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -73.12 40.64 0.52 Allowed 'Trans proline' 0 CA--C 1.535 0.537 0 C-N-CA 122.726 2.284 . . . . 73.33 111.838 178.539 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.516 ' O ' ' N ' ' A' ' 36' ' ' LEU . 9.4 ttt180 57.48 -88.73 0.02 OUTLIER 'General case' 0 N--CA 1.449 -0.509 0 C-N-CA 123.674 0.79 . . . . 64.52 110.824 -176.125 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.403 ' H ' ' HB3' ' A' ' 34' ' ' ARG . 16.2 mm-40 51.27 -75.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 O-C-N 124.21 0.944 . . . . 75.14 112.708 178.45 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.516 ' N ' ' O ' ' A' ' 34' ' ' ARG . 40.3 mt -85.87 -27.44 25.04 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.715 -0.675 . . . . 73.53 109.894 -171.793 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 149.45 48.47 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.27 0 CA-C-N 115.741 -0.663 . . . . 72.22 112.627 176.685 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -102.76 -135.92 8.93 Favored Glycine 0 N--CA 1.447 -0.567 0 C-N-CA 120.288 -0.958 . . . . 73.44 111.211 178.708 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -108.78 -36.81 6.04 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.07 0.462 . . . . 63.22 110.619 178.494 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 83.36 96.22 0.58 Allowed Glycine 0 N--CA 1.451 -0.362 0 CA-C-N 115.901 -0.591 . . . . 45.53 112.183 -178.478 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -158.57 158.69 34.42 Favored 'General case' 0 C--O 1.237 0.439 0 CA-C-O 120.842 0.353 . . . . 51.12 111.134 178.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -76.12 83.72 2.96 Favored 'General case' 0 C--O 1.238 0.476 0 CA-C-O 122.037 0.922 . . . . 71.23 110.524 178.564 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -145.7 -163.28 10.14 Favored Glycine 0 C--N 1.313 -0.712 0 CA-C-N 114.937 -1.028 . . . . 55.55 111.546 177.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.565 ' O ' ' HB2' ' A' ' 30' ' ' LEU . 28.3 m -100.78 134.69 43.37 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.584 0.231 . . . . 74.01 110.784 -179.016 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -63.93 128.22 92.67 Favored Pre-proline 0 N--CA 1.463 0.208 0 N-CA-C 109.612 -0.514 . . . . 72.33 109.612 169.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 8.3 Cg_endo -51.23 -45.3 37.85 Favored 'Trans proline' 0 CA--C 1.536 0.575 0 C-N-CA 122.737 2.291 . . . . 63.04 112.473 177.456 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -60.25 -44.35 95.35 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-O 121.681 0.753 . . . . 62.13 109.023 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.406 ' HA ' HG13 ' A' ' 83' ' ' VAL . 7.2 tt0 -61.58 -38.29 86.99 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 114.479 -1.237 . . . . 74.41 110.769 178.251 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -64.13 -49.45 72.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.605 -0.725 . . . . 71.11 109.872 -178.337 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 46.9 t80 -64.02 -48.24 77.09 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 116.25 -0.432 . . . . 65.21 110.827 178.645 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -53.5 -48.88 68.58 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-O 120.728 0.299 . . . . 52.03 111.446 177.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -61.58 -52.67 63.45 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-O 120.941 0.4 . . . . 73.32 110.625 -179.642 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -62.83 -34.83 90.88 Favored Glycine 0 C--O 1.226 -0.361 0 CA-C-N 115.738 -0.664 . . . . 45.35 112.559 -179.093 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -70.84 -43.95 67.47 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 122.618 0.367 . . . . 74.55 110.616 -177.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.525 ' HB3' ' HB3' ' A' ' 81' ' ' ALA . 32.7 p -64.13 -48.17 77.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.798 0.332 . . . . 73.1 110.128 178.169 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.406 ' HB3' HD23 ' B' ' 30' ' ' LEU . . . -61.44 -39.24 90.11 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 115.974 -0.557 . . . . 72.41 110.609 176.673 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 53.5 t -65.41 -36.13 83.01 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.072 -0.513 . . . . 74.4 110.056 178.045 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 12.4 t80 -63.39 -29.76 71.01 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.175 -0.466 . . . . 74.24 109.885 -178.503 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.438 HD21 HG23 ' A' ' 79' ' ' VAL . 95.7 mt -64.42 -54.3 34.8 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 116.046 -0.525 . . . . 74.12 109.822 174.549 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 32.0 t -57.47 -39.35 76.17 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 115.75 -0.659 . . . . 74.4 110.31 177.473 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.404 ' O ' HG22 ' A' ' 65' ' ' VAL . . . -62.03 -48.24 81.14 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.836 -0.62 . . . . 64.15 110.096 178.675 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' MET . . . . . 0.426 ' SD ' ' HB2' ' A' ' 118' ' ' ALA . 83.4 mmm -65.5 -25.87 67.67 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.297 -0.411 . . . . 61.32 110.755 178.144 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.13 -47.38 74.29 Favored 'General case' 0 CA--C 1.531 0.214 0 N-CA-C 108.598 -0.89 . . . . 62.32 108.598 175.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 74.7 t80 -65.61 -44.69 85.77 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 115.54 -0.754 . . . . 70.35 110.5 177.336 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.404 HG22 ' O ' ' A' ' 61' ' ' ALA . 53.3 t -57.12 -48.92 81.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.116 -0.493 . . . . 51.41 110.359 177.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.41 -30.41 68.44 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.083 0.468 . . . . 55.45 110.149 177.21 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -72.15 -30.84 64.64 Favored Glycine 0 N--CA 1.454 -0.11 0 CA-C-N 115.463 -0.79 . . . . 65.01 112.205 -178.165 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -94.08 -16.78 23.49 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 109.307 -0.627 . . . . 73.33 109.307 -179.383 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 17.5 m-80 -97.19 5.19 50.53 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.237 -0.892 . . . . 73.35 110.095 177.166 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 22.9 mmtm 60.45 22.32 11.96 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 114.961 -1.018 . . . . 70.5 111.366 171.615 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -113.76 169.02 9.29 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.843 -0.617 . . . . 65.11 110.904 -177.551 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 32.3 p -123.81 137.87 54.59 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.913 -0.585 . . . . 71.13 110.618 178.324 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.41 ' HA ' ' HD3' ' A' ' 74' ' ' PRO . 94.4 mt -109.38 137.98 20.4 Favored Pre-proline 0 C--N 1.325 -0.492 0 CA-C-N 116.048 -0.524 . . . . 64.52 110.255 178.374 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.411 ' HD2' HD11 ' A' ' 103' ' ' LEU . 37.3 Cg_exo -58.09 131.34 42.81 Favored 'Trans proline' 0 C--N 1.349 0.598 0 C-N-CA 122.747 2.298 . . . . 75.32 112.42 -178.563 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -77.32 -1.51 30.21 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 121.008 0.432 . . . . 74.43 111.886 -177.295 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -87.31 5.01 40.55 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.345 0.593 . . . . 72.44 110.855 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.508 ' HB ' HD13 ' A' ' 103' ' ' LEU . 9.9 t -75.81 165.25 25.29 Favored 'General case' 0 C--O 1.238 0.451 0 CA-C-N 115.754 -0.657 . . . . 74.0 112.315 -174.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.524 HG23 ' HA ' ' B' ' 12' ' ' THR . 23.6 m -158.18 149.39 21.05 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 115.517 -0.765 . . . . 72.13 109.455 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.438 HG23 HD21 ' A' ' 59' ' ' LEU . 70.1 t -130.67 126.49 60.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 N-CA-C 110.123 -0.325 . . . . 73.54 110.123 177.727 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 29.1 m -107.43 110.41 22.37 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.892 0.377 . . . . 61.0 110.688 179.106 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.525 ' HB3' ' HB3' ' A' ' 55' ' ' SER . . . -93.48 104.78 16.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.041 -0.527 . . . . 75.0 109.809 177.878 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.465 ' HG2' ' HD3' ' B' ' 6' ' ' LYS . 32.6 tt0 -100.94 107.93 19.54 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.103 -0.703 . . . . 75.53 109.103 178.714 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.597 HG22 HG21 ' A' ' 97' ' ' VAL . 7.5 p -106.35 140.68 23.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.958 -0.565 . . . . 74.25 110.704 -173.449 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -145.35 170.96 26.57 Favored Glycine 0 N--CA 1.443 -0.885 0 CA-C-N 116.037 -0.529 . . . . 64.22 111.998 179.275 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.456 HD12 ' CD2' ' A' ' 93' ' ' PHE . 0.0 OUTLIER -146.3 139.81 20.55 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 N-CA-C 109.756 -0.461 . . . . 71.32 109.756 -178.046 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -149.68 169.9 29.85 Favored Glycine 0 CA--C 1.517 0.213 0 N-CA-C 110.903 -0.879 . . . . 64.2 110.903 -179.201 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . 0.635 ' HD3' ' HG ' ' B' ' 4' ' ' LEU . 74.5 Cg_endo -73.45 142.04 32.54 Favored 'Trans proline' 0 C--O 1.234 0.305 0 C-N-CA 122.38 2.053 . . . . 75.13 112.054 -176.499 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 49.9 t-20 -99.06 146.03 26.5 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.21 -0.663 . . . . 63.43 109.21 178.551 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -63.92 -15.72 59.77 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-O 120.9 0.381 . . . . 74.31 111.286 -178.489 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -67.32 -25.15 65.87 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-O 121.255 0.55 . . . . 62.35 110.055 174.368 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.22 26.57 6.55 Favored Glycine 0 N--CA 1.451 -0.333 0 CA-C-N 115.507 -0.769 . . . . 52.42 111.664 -176.03 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -132.7 -140.77 4.5 Favored Glycine 0 N--CA 1.45 -0.406 0 N-CA-C 111.193 -0.763 . . . . 74.12 111.193 177.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.456 ' CD2' HD12 ' A' ' 85' ' ' ILE . 43.4 m-85 -119.07 153.8 34.18 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.038 0.447 . . . . 72.25 110.562 -179.86 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -137.41 131.15 31.6 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.492 -0.776 . . . . 73.43 109.18 -179.49 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -95.62 132.29 40.93 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.124 0.488 . . . . 75.45 111.346 -174.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.557 ' HB2' ' SD ' ' B' ' 1' ' ' MET . 13.8 t70 -116.39 110.32 18.52 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.065 -0.97 . . . . 62.1 108.791 178.806 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.743 ' HB ' HG21 ' A' ' 134' ' ' VAL . 46.5 t -120.3 110.72 29.62 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 C-N-CA 120.823 -0.351 . . . . 41.42 110.555 -177.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -98.28 107.58 20.09 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.715 -0.476 . . . . 52.25 109.715 178.489 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 14.7 tp -97.64 108.65 21.42 Favored 'General case' 0 C--O 1.235 0.332 0 N-CA-C 109.614 -0.513 . . . . 73.33 109.614 -176.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.547 ' HA ' ' O ' ' A' ' 137' ' ' VAL . 64.6 mtt180 -99.43 111.76 24.07 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.033 -0.53 . . . . 73.43 110.545 -175.446 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 41.4 t -101.73 100.46 10.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.241 -0.436 . . . . 72.23 110.775 -174.496 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -92.5 101.36 13.8 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 110.285 -0.265 . . . . 73.1 110.285 178.568 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.858 HD22 HD22 ' A' ' 106' ' ' LEU . 22.8 tp -115.22 115.21 42.88 Favored Pre-proline 0 C--N 1.328 -0.362 0 N-CA-C 108.986 -0.746 . . . . 73.31 108.986 178.502 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . 0.519 ' HD2' HD13 ' A' ' 103' ' ' LEU . 60.3 Cg_endo -71.88 149.24 53.32 Favored 'Trans proline' 0 C--O 1.234 0.312 0 C-N-CA 122.948 2.432 . . . . 73.52 113.07 -172.818 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 70.27 15.19 72.24 Favored Glycine 0 CA--C 1.519 0.303 0 CA-C-N 115.41 -0.814 . . . . 54.45 112.753 -179.216 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.858 HD22 HD22 ' A' ' 103' ' ' LEU . 32.2 tp -118.83 142.16 47.98 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 122.742 0.417 . . . . 65.03 110.609 -176.236 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -75.39 163.17 27.71 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-O 120.846 0.355 . . . . 72.42 110.974 179.702 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -64.75 -45.95 84.25 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.4 -0.818 . . . . 74.35 110.218 170.54 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -64.2 -49.76 70.76 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 115.509 -0.769 . . . . 64.13 110.665 -176.44 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . 0.547 ' O ' HG23 ' A' ' 113' ' ' THR . . . -66.48 -43.45 85.37 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.675 -0.693 . . . . 73.25 109.776 -178.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . 0.509 ' HA ' HD23 ' A' ' 106' ' ' LEU . . . -54.72 -46.32 74.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.949 -0.569 . . . . 54.13 111.357 177.549 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . 0.404 ' O ' ' HB2' ' A' ' 116' ' ' ASP . 63.1 mmtt -54.48 -36.51 64.23 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 116.426 -0.352 . . . . 74.23 111.397 179.628 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' THR . . . . . 0.547 HG23 ' O ' ' A' ' 110' ' ' ALA . 0.7 OUTLIER -82.24 -37.37 26.05 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-O 120.668 0.27 . . . . 74.22 110.969 -177.889 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.484 ' HG ' ' O ' ' A' ' 110' ' ' ALA . 55.4 mt -65.53 -49.48 68.78 Favored 'General case' 0 C--O 1.231 0.11 0 CA-C-O 120.884 0.373 . . . . 61.01 110.372 -177.812 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 63.6 t -64.78 -32.86 59.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.859 -0.609 . . . . 72.22 110.102 179.017 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . 0.404 ' HB2' ' O ' ' A' ' 112' ' ' LYS . 10.8 t70 -61.17 -60.97 2.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.695 -0.684 . . . . 65.51 110.369 179.803 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 12.8 ptm180 -68.56 -37.43 79.91 Favored 'General case' 0 N--CA 1.457 -0.096 0 CA-C-N 116.292 -0.413 . . . . 65.24 111.052 -175.549 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . 0.426 ' HB2' ' SD ' ' A' ' 62' ' ' MET . . . -59.56 -46.61 88.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.197 0.522 . . . . 63.41 110.41 177.878 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -76.68 -1.76 29.4 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 115.718 -0.674 . . . . 74.13 110.417 -178.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 10.1 t60 -98.62 -42.49 7.24 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 115.834 -0.621 . . . . 75.14 110.311 176.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 34.1 m -85.84 -43.52 16.56 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.203 0 N-CA-C 112.566 0.58 . . . . 74.54 112.566 -171.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 51.2 t -147.95 66.46 9.59 Favored Pre-proline 0 C--O 1.235 0.298 0 N-CA-C 112.432 0.53 . . . . 72.12 112.432 -174.626 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 65.1 Cg_endo -92.39 148.46 2.93 Favored 'Trans proline' 0 N--CA 1.456 -0.733 0 C-N-CA 122.749 2.3 . . . . 75.04 110.53 167.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . 0.701 ' HH ' ' HA ' ' B' ' 47' ' ' GLU . 60.3 t80 -60.2 -23.86 64.35 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 121.289 0.566 . . . . 65.44 110.418 178.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 17.7 p -142.05 106.39 4.81 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.609 -0.723 . . . . 65.33 110.206 178.706 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' ASN . . . . . 0.433 ' O ' ' HG2' ' A' ' 129' ' ' ARG . 16.4 m120 -66.88 -31.77 72.6 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 121.45 0.643 . . . . 73.42 109.452 173.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . 0.477 ' O ' HG23 ' A' ' 132' ' ' VAL . . . -64.77 -5.21 5.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.095 -0.957 . . . . 54.1 112.652 -176.61 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' THR . . . . . 0.489 ' HA ' ' HB ' ' A' ' 132' ' ' VAL . 2.3 t -91.73 -5.68 53.23 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.606 0.717 . . . . 73.21 109.408 -167.174 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . 0.433 ' HG2' ' O ' ' A' ' 126' ' ' ASN . 1.6 ptm180 -120.98 -43.75 2.44 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.059 -0.973 . . . . 72.04 111.013 -176.217 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -78.47 -49.8 12.79 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-O 121.352 0.596 . . . . 71.52 111.099 175.204 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . 0.426 ' HB3' ' O ' ' A' ' 127' ' ' ALA . 0.2 OUTLIER -85.17 -40.17 17.01 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.208 -0.905 . . . . 72.12 111.135 -175.336 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . 0.489 ' HB ' ' HA ' ' A' ' 128' ' ' THR . 18.7 t -111.89 163.64 8.59 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.462 0 CA-C-N 116.149 -0.478 . . . . 70.22 110.578 -175.135 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . 0.42 ' N ' HG13 ' A' ' 132' ' ' VAL . . . -100.08 92.31 5.18 Favored 'General case' 0 C--O 1.243 0.717 0 CA-C-O 121.53 0.681 . . . . 45.42 111.997 -176.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . 0.743 HG21 ' HB ' ' A' ' 97' ' ' VAL . 79.3 t -109.15 121.7 62.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.316 -0.857 . . . . 75.02 110.319 172.005 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . 0.431 ' HD2' ' N ' ' A' ' 135' ' ' ARG . 1.2 mpt_? -86.3 108.02 18.23 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 108.85 -0.796 . . . . 74.34 108.85 177.799 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 59.9 mt -79.85 100.21 7.9 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.53 0.681 . . . . 50.04 110.263 178.217 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . 0.547 ' O ' ' HA ' ' A' ' 100' ' ' ARG . 0.1 OUTLIER -111.88 121.78 65.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 114.918 -1.037 . . . . 74.42 109.433 -177.504 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 5.4 m -97.85 138.92 21.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-O 121.394 0.616 . . . . 71.15 110.268 -175.315 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.308 -1.207 0 CA-C-N 115.15 -0.932 . . . . 73.13 110.856 -175.412 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.557 ' SD ' ' HB2' ' A' ' 96' ' ' ASP . 28.4 ptm . . . . . 0 C--O 1.235 0.299 0 CA-C-O 121.043 0.449 . . . . 72.42 110.843 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 2' ' ' ASN . . . . . 0.497 ' O ' ' HD2' ' A' ' 87' ' ' PRO . 40.4 t30 -97.14 86.08 3.86 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.688 -0.687 . . . . 61.35 109.717 -179.506 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . 0.502 HG21 ' HB2' ' B' ' 6' ' ' LYS . 33.8 mm -69.85 132.31 33.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.425 -0.807 . . . . 72.42 111.639 179.756 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . 0.635 ' HG ' ' HD3' ' A' ' 87' ' ' PRO . 89.3 mt -90.73 -36.98 14.0 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.57 -0.741 . . . . 75.25 110.03 174.266 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 5' ' ' TYR . . . . . . . . . . . . . 14.4 t80 -143.07 130.25 20.83 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 116.126 -0.488 . . . . 75.45 110.502 -179.553 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . 0.502 ' HB2' HG21 ' B' ' 3' ' ' ILE . 31.6 ttmt -142.51 139.73 31.58 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-O 121.237 0.541 . . . . 65.01 111.411 174.378 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 10.0 t -137.5 147.37 45.19 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-N 115.358 -0.837 . . . . 73.02 109.738 177.407 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . 0.421 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . . . -111.56 141.23 45.41 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 121.079 0.466 . . . . 64.22 111.718 -175.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . 0.519 ' HA ' ' HA ' ' B' ' 21' ' ' SER . . . -131.62 117.98 19.44 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.856 -0.611 . . . . 71.2 110.385 178.017 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 65.9 m -99.7 115.86 30.45 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.267 -0.424 . . . . 64.31 110.121 -179.227 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 11' ' ' SER . . . . . 0.415 ' HA ' ' O ' ' B' ' 18' ' ' ARG . 23.1 p -106.31 113.44 26.97 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.147 0.498 . . . . 74.14 110.914 178.491 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 12' ' ' THR . . . . . 0.524 ' HA ' HG23 ' A' ' 78' ' ' THR . 2.5 m -81.46 155.01 26.05 Favored 'General case' 0 C--O 1.245 0.86 0 CA-C-N 115.983 -0.553 . . . . 73.24 110.845 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -73.3 75.05 1.0 Allowed Glycine 0 N--CA 1.445 -0.701 0 CA-C-N 115.475 -0.784 . . . . 71.12 111.587 174.429 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -66.15 -151.34 0.13 Allowed Glycine 0 C--N 1.332 0.308 0 C-N-CA 121.292 -0.48 . . . . 73.4 111.953 174.07 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 50.9 mtt180 -70.88 -40.3 72.34 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 122.307 -0.525 . . . . 65.14 110.453 177.37 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 16' ' ' ASP . . . . . 0.518 ' HB3' ' HA ' ' B' ' 31' ' ' SER . 14.7 t70 -126.33 -43.24 1.78 Allowed 'General case' 0 N--CA 1.466 0.344 0 N-CA-C 109.786 -0.449 . . . . 65.33 109.786 168.583 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -167.82 146.45 10.6 Favored Glycine 0 C--N 1.34 0.805 0 C-N-CA 120.21 -0.995 . . . . 74.22 112.249 164.521 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 18' ' ' ARG . . . . . 0.415 ' O ' ' HA ' ' B' ' 11' ' ' SER . 0.0 OUTLIER -126.21 104.11 8.04 Favored 'General case' 0 C--O 1.222 -0.386 0 N-CA-C 108.98 -0.748 . . . . 74.4 108.98 178.308 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -102.34 123.61 46.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.764 0.316 . . . . 64.31 110.949 -173.461 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 89.2 m -134.2 115.05 13.73 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.295 -0.412 . . . . 75.11 110.209 -178.021 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 21' ' ' SER . . . . . 0.589 ' HB3' ' N ' ' B' ' 26' ' ' LEU . 10.9 t -64.77 108.51 1.76 Allowed 'General case' 0 C--O 1.25 1.081 0 N-CA-C 107.985 -1.117 . . . . 74.21 107.985 175.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 22' ' ' HIS . . . . . 0.416 ' C ' ' H ' ' B' ' 24' ' ' GLN . 28.7 t-80 -55.82 -20.19 14.32 Favored 'General case' 0 C--N 1.347 0.476 0 O-C-N 126.48 2.363 . . . . 73.12 112.088 -170.772 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -80.36 14.43 1.98 Allowed 'General case' 0 C--N 1.316 -0.87 0 N-CA-C 109.477 -0.564 . . . . 63.54 109.477 179.03 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . 0.416 ' H ' ' C ' ' B' ' 22' ' ' HIS . 26.6 mm-40 66.16 24.07 10.87 Favored 'General case' 0 CA--C 1.517 -0.32 0 CA-C-N 114.963 -1.017 . . . . 71.43 109.366 178.336 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 24.4 mtmm -93.86 -23.9 17.95 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 114.891 -1.05 . . . . 41.25 111.422 -179.396 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . 0.589 ' N ' ' HB3' ' B' ' 21' ' ' SER . 42.6 tp -148.57 146.73 28.4 Favored 'General case' 0 CA--C 1.5 -0.961 0 C-N-CA 119.018 -1.073 . . . . 73.34 111.963 -178.156 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -150.65 98.24 2.6 Favored 'General case' 0 N--CA 1.443 -0.814 0 CA-C-N 114.956 -1.02 . . . . 53.33 109.653 178.508 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 3.0 m -143.86 178.2 1.92 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.39 0 CA-C-O 121.387 0.613 . . . . 74.12 111.471 178.315 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.683 ' HE3' ' HG3' ' B' ' 42' ' ' GLU . 0.3 OUTLIER -146.68 141.27 26.66 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.29 -0.868 . . . . 74.12 109.621 -178.939 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . 0.731 ' HA ' ' H ' ' B' ' 44' ' ' THR . 0.0 OUTLIER -126.48 164.88 20.17 Favored 'General case' 0 C--O 1.254 1.304 0 CA-C-O 121.183 0.516 . . . . 72.32 111.231 -176.916 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 31' ' ' SER . . . . . 0.518 ' HA ' ' HB3' ' B' ' 16' ' ' ASP . 38.2 p -156.43 130.87 8.77 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 114.607 -1.179 . . . . 62.35 111.265 -177.68 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.74 141.73 98.38 Favored Pre-proline 0 C--O 1.241 0.609 0 CA-C-N 116.039 -0.528 . . . . 75.13 111.202 178.722 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 33' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_endo -55.04 125.89 20.71 Favored 'Trans proline' 0 C--N 1.351 0.688 0 C-N-CA 122.85 2.367 . . . . 72.21 111.595 179.407 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 34' ' ' ARG . . . . . 0.704 ' HB2' ' HA3' ' B' ' 40' ' ' GLY . 6.5 tpt180 -65.62 -20.72 66.42 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.314 -0.403 . . . . 71.43 110.556 -175.159 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 10.7 mp0 -53.04 -31.49 41.67 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 115.545 -0.752 . . . . 72.42 110.871 178.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 37.5 mt -103.28 11.27 37.0 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.728 -0.669 . . . . 63.52 111.079 -174.599 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 90.37 22.04 35.98 Favored Glycine 0 N--CA 1.452 -0.241 0 CA-C-N 115.865 -0.607 . . . . 51.22 112.408 -177.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -84.77 -130.35 2.11 Favored Glycine 0 C--N 1.336 0.534 0 C-N-CA 121.187 -0.53 . . . . 64.12 112.302 -178.484 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -114.58 -26.71 7.78 Favored 'General case' 0 N--CA 1.465 0.28 0 N-CA-C 111.808 0.299 . . . . 71.25 111.808 -177.1 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 40' ' ' GLY . . . . . 0.704 ' HA3' ' HB2' ' B' ' 34' ' ' ARG . . . 46.51 40.38 11.25 Favored Glycine 0 C--N 1.336 0.569 0 O-C-N 123.409 0.443 . . . . 53.13 113.474 -174.879 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -90.76 -171.91 3.2 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.974 0.416 . . . . 75.21 111.021 -177.619 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . 0.683 ' HG3' ' HE3' ' B' ' 29' ' ' LYS . 12.0 pt-20 -80.28 32.18 0.28 Allowed 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 115.86 -0.609 . . . . 74.14 111.492 -177.796 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -112.03 -171.98 18.91 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 121.135 -0.555 . . . . 72.12 112.435 -177.583 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 44' ' ' THR . . . . . 0.731 ' H ' ' HA ' ' B' ' 30' ' ' LEU . 33.7 m -99.42 143.56 29.52 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 110.327 -0.249 . . . . 70.51 110.327 -179.864 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 45' ' ' ASN . . . . . 0.465 ' HB2' ' HB3' ' B' ' 48' ' ' GLN . 2.1 m-20 -63.43 135.28 96.18 Favored Pre-proline 0 C--N 1.325 -0.468 0 N-CA-C 110.177 -0.305 . . . . 71.14 110.177 175.341 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 46' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -59.15 -50.34 8.92 Favored 'Trans proline' 0 C--O 1.237 0.474 0 C-N-CA 122.768 2.312 . . . . 54.41 112.021 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 47' ' ' GLU . . . . . 0.701 ' HA ' ' HH ' ' A' ' 124' ' ' TYR . 7.0 pm0 -65.74 -33.03 74.92 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.221 -0.445 . . . . 73.03 110.369 -177.758 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . 0.494 ' OE1' ' HE3' ' A' ' 25' ' ' LYS . 24.8 tt0 -70.27 -39.8 74.72 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.712 -0.676 . . . . 65.22 110.52 177.749 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -63.15 -50.68 69.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.547 -0.751 . . . . 73.15 109.775 -179.363 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 39.0 t80 -62.58 -45.42 93.0 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.824 -0.625 . . . . 74.53 110.851 178.521 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . 0.494 ' HB1' HG12 ' B' ' 83' ' ' VAL . . . -51.66 -53.17 41.71 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.467 -0.333 . . . . 63.22 111.197 177.266 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 52' ' ' ALA . . . . . 0.498 ' HB2' ' HB3' ' A' ' 19' ' ' ALA . . . -63.54 -39.31 94.08 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 115.742 -0.663 . . . . 74.31 110.829 -178.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -67.65 -33.73 81.63 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 121.132 -0.556 . . . . 73.22 112.282 178.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -72.64 -49.23 33.22 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.891 -0.411 . . . . 73.43 109.891 -179.31 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 55' ' ' SER . . . . . 0.448 ' HB3' ' HB2' ' B' ' 81' ' ' ALA . 45.8 p -63.19 -45.98 89.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.923 0.392 . . . . 71.55 110.572 -179.834 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 56' ' ' ALA . . . . . 0.476 ' HB2' HD23 ' A' ' 30' ' ' LEU . . . -62.62 -42.23 99.46 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.03 -0.532 . . . . 72.32 110.689 178.123 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 57' ' ' CYS . . . . . . . . . . . . . 52.0 t -62.93 -36.64 84.08 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.267 -0.424 . . . . 72.4 109.974 176.653 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 23.1 t80 -63.74 -31.18 72.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.827 -0.624 . . . . 61.11 110.115 -178.046 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 95.6 mt -64.8 -56.58 12.65 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 116.043 -0.526 . . . . 73.31 110.32 176.344 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 60' ' ' SER . . . . . 0.415 ' O ' ' HB3' ' B' ' 63' ' ' LYS . 21.8 t -61.2 -37.45 83.01 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 115.808 -0.633 . . . . 73.23 110.191 -179.847 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . 0.428 ' O ' HG22 ' B' ' 65' ' ' VAL . . . -64.77 -43.02 94.61 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 115.921 -0.581 . . . . 44.1 110.027 177.385 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 62' ' ' MET . . . . . 0.64 ' HA ' ' HE1' ' B' ' 62' ' ' MET . 3.4 tpt -61.15 -36.91 81.05 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 115.797 -0.638 . . . . 71.0 109.707 177.872 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . 0.415 ' HB3' ' O ' ' B' ' 60' ' ' SER . 22.7 tptp -60.04 -51.95 67.47 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 115.648 -0.705 . . . . 72.03 110.232 175.036 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 81.9 t80 -60.42 -41.57 94.21 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 116.163 -0.471 . . . . 73.11 110.538 179.576 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . 0.428 HG22 ' O ' ' B' ' 61' ' ' ALA . 55.4 t -59.17 -46.93 91.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.027 -0.533 . . . . 75.05 110.492 178.247 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -57.31 -30.86 65.1 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.157 -0.474 . . . . 74.13 110.558 179.556 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -71.94 -28.44 68.7 Favored Glycine 0 N--CA 1.45 -0.393 0 CA-C-N 115.515 -0.766 . . . . 75.04 112.475 -178.438 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -99.02 -13.3 19.94 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.361 0.6 . . . . 64.5 109.539 179.546 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -96.67 -5.25 39.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.416 -0.811 . . . . 65.21 110.681 177.363 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 56.43 39.64 29.94 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-O 121.488 0.661 . . . . 73.12 110.85 176.705 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -121.84 169.61 10.6 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 114.875 -1.057 . . . . 74.24 110.22 178.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 17.0 p -119.25 137.32 53.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.373 -0.376 . . . . 74.12 110.859 -178.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . 0.484 HD11 ' HG3' ' B' ' 62' ' ' MET . 81.3 mt -109.6 138.07 20.51 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.348 -0.387 . . . . 75.15 110.784 179.1 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 74' ' ' PRO . . . . . 0.663 ' HD2' HD12 ' B' ' 103' ' ' LEU . 21.8 Cg_exo -67.16 142.4 60.91 Favored 'Trans proline' 0 C--N 1.348 0.535 0 C-N-CA 122.907 2.404 . . . . 74.32 111.826 175.185 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -77.21 -19.59 56.47 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.359 0.503 . . . . 71.53 112.359 -176.047 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -81.29 9.78 6.55 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-O 121.141 0.496 . . . . 60.22 111.601 -175.727 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 77' ' ' THR . . . . . 0.471 ' HB ' HD11 ' B' ' 103' ' ' LEU . 9.8 t -77.1 159.7 29.61 Favored 'General case' 0 CA--C 1.537 0.449 0 N-CA-C 112.349 0.5 . . . . 73.25 112.349 -174.837 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 34.1 m -155.87 153.04 29.08 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 115.646 -0.707 . . . . 71.23 109.683 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 82.6 t -131.4 128.09 60.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 N-CA-C 109.343 -0.614 . . . . 54.24 109.343 174.465 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 80' ' ' THR . . . . . 0.546 ' HA ' ' HA ' ' A' ' 10' ' ' THR . 28.0 m -110.53 116.02 30.65 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.753 0.311 . . . . 75.2 110.782 -178.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 81' ' ' ALA . . . . . 0.448 ' HB2' ' HB3' ' B' ' 55' ' ' SER . . . -93.4 105.28 17.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 73.43 110.225 178.755 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -99.71 107.9 20.1 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.086 -0.709 . . . . 71.23 109.086 178.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . 0.494 HG12 ' HB1' ' B' ' 51' ' ' ALA . 18.8 m -109.67 139.6 32.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 120.89 0.376 . . . . 71.44 111.479 -174.256 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 84' ' ' GLY . . . . . . . . . . . . . . . -132.52 152.1 20.14 Favored Glycine 0 N--CA 1.442 -0.959 0 N-CA-C 110.954 -0.858 . . . . 52.45 110.954 175.738 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -132.24 129.25 59.66 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.859 0 N-CA-C 109.276 -0.638 . . . . 73.1 109.276 -179.52 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 86' ' ' GLY . . . . . 0.469 ' HA2' ' HG ' ' A' ' 4' ' ' LEU . . . -142.16 169.84 25.22 Favored Glycine 0 N--CA 1.451 -0.331 0 O-C-N 124.083 0.864 . . . . 52.3 111.155 -178.341 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 87' ' ' PRO . . . . . 0.648 ' HD3' ' HG ' ' A' ' 4' ' ' LEU . 15.4 Cg_endo -88.75 129.56 2.14 Favored 'Trans proline' 0 N--CA 1.451 -1.025 0 C-N-CA 122.72 2.28 . . . . 70.05 112.598 -176.024 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 88' ' ' ASN . . . . . . . . . . . . . 52.3 t-20 -70.25 140.29 52.35 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.039 -0.982 . . . . 72.3 108.418 173.309 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -61.36 -19.17 61.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.889 0.376 . . . . 71.21 111.016 -177.567 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -71.08 -18.79 62.53 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 115.938 -0.574 . . . . 74.05 111.178 178.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.72 35.53 3.24 Favored Glycine 0 C--O 1.235 0.173 0 CA-C-N 116.01 -0.541 . . . . 72.2 112.614 -179.392 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . -135.19 -170.62 12.19 Favored Glycine 0 N--CA 1.452 -0.286 0 N-CA-C 111.063 -0.815 . . . . 70.13 111.063 175.494 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 93' ' ' PHE . . . . . . . . . . . . . 59.2 m-85 -103.29 151.53 22.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 117.13 0.465 . . . . 73.12 110.379 177.199 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -138.59 131.4 29.42 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.916 -0.583 . . . . 62.21 110.001 -177.655 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -101.71 125.67 48.42 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.084 -0.507 . . . . 74.21 111.002 -178.572 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 96' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -114.78 110.54 19.86 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.31 -0.859 . . . . 73.53 109.317 175.547 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 97' ' ' VAL . . . . . 0.482 HG13 HG12 ' B' ' 134' ' ' VAL . 1.5 p -114.52 117.34 55.3 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 CA-C-O 121.695 0.759 . . . . 65.34 111.231 -176.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -100.56 110.55 22.71 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 114.742 -1.117 . . . . 74.42 109.34 -179.504 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 89.9 mt -94.04 109.8 21.53 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.836 -0.431 . . . . 75.14 109.836 -179.169 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 100' ' ' ARG . . . . . 0.576 ' HA ' ' O ' ' B' ' 137' ' ' VAL . 42.4 ttt180 -99.32 109.58 22.19 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.455 -0.793 . . . . 70.24 109.761 -174.203 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 101' ' ' VAL . . . . . 0.418 HG23 HG22 ' B' ' 115' ' ' VAL . 73.5 t -95.94 112.21 27.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 115.73 -0.668 . . . . 60.12 111.448 -173.129 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 102' ' ' ALA . . . . . 0.474 ' HA ' ' HB3' ' B' ' 139' ' ' ALA . . . -107.74 101.49 10.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.938 0.399 . . . . 53.32 110.463 178.351 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 103' ' ' LEU . . . . . 0.707 HD22 HD22 ' B' ' 106' ' ' LEU . 29.0 tp -118.48 119.21 33.13 Favored Pre-proline 0 C--N 1.326 -0.441 0 N-CA-C 108.737 -0.838 . . . . 72.24 108.737 177.168 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 104' ' ' PRO . . . . . 0.51 ' HD2' HD11 ' B' ' 103' ' ' LEU . 39.6 Cg_endo -67.54 144.52 67.1 Favored 'Trans proline' 0 N--CA 1.462 -0.361 0 C-N-CA 122.59 2.193 . . . . 74.24 112.527 -176.227 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 105' ' ' GLY . . . . . . . . . . . . . . . 70.47 13.78 71.38 Favored Glycine 0 CA--C 1.521 0.434 0 CA-C-N 115.27 -0.877 . . . . 72.34 112.865 -178.174 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 106' ' ' LEU . . . . . 0.707 HD22 HD22 ' B' ' 103' ' ' LEU . 38.5 tp -112.96 139.43 48.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.86 0.362 . . . . 65.44 110.831 -177.628 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -77.46 166.67 22.8 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 115.928 -0.578 . . . . 63.12 110.584 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -68.98 -44.53 72.67 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.407 -0.815 . . . . 74.55 110.142 170.728 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -64.73 -46.51 81.95 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.666 -0.697 . . . . 64.51 110.603 -177.293 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 110' ' ' ALA . . . . . 0.523 ' O ' ' HG ' ' B' ' 114' ' ' LEU . . . -68.7 -43.71 75.48 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.707 -0.679 . . . . 72.03 109.731 179.255 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 111' ' ' ALA . . . . . 0.55 ' O ' HG21 ' B' ' 115' ' ' VAL . . . -54.59 -43.24 71.97 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.124 -0.489 . . . . 64.14 111.079 178.371 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 112' ' ' LYS . . . . . . . . . . . . . 30.8 mmtm -51.02 -49.34 60.66 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 116.18 -0.464 . . . . 74.45 110.929 -179.573 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 113' ' ' THR . . . . . 0.511 HG22 ' O ' ' B' ' 110' ' ' ALA . 2.8 t -74.88 -37.41 62.17 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 116.27 -0.423 . . . . 72.03 110.821 -175.868 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 114' ' ' LEU . . . . . 0.523 ' HG ' ' O ' ' B' ' 110' ' ' ALA . 30.9 mt -61.52 -44.52 96.9 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.188 -0.46 . . . . 72.05 110.978 -178.218 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 115' ' ' VAL . . . . . 0.55 HG21 ' O ' ' B' ' 111' ' ' ALA . 48.7 t -63.4 -41.58 93.24 Favored 'Isoleucine or valine' 0 C--O 1.243 0.722 0 CA-C-O 121.312 0.577 . . . . 63.55 110.164 178.279 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -54.93 -60.15 3.76 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 115.032 -0.985 . . . . 75.43 110.224 -179.762 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 117' ' ' ARG . . . . . 0.481 ' O ' ' HB3' ' B' ' 120' ' ' HIS . 14.1 ptm180 -66.07 -33.99 77.04 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.527 -0.76 . . . . 70.2 111.032 -177.357 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -58.59 -40.23 82.59 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.827 -0.624 . . . . 61.11 110.655 177.226 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 33.2 m-70 -73.55 -6.32 45.8 Favored 'General case' 0 N--CA 1.466 0.344 0 N-CA-C 112.288 0.477 . . . . 74.31 112.288 178.629 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 120' ' ' HIS . . . . . 0.481 ' HB3' ' O ' ' B' ' 117' ' ' ARG . 19.0 t-80 -72.29 -26.26 61.9 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 120.795 0.331 . . . . 73.32 110.507 175.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 27.6 m -113.64 21.1 6.39 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.31 0 CA-C-N 116.117 -0.492 . . . . 73.14 110.711 -179.734 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 122' ' ' CYS . . . . . . . . . . . . . 39.9 t -65.26 129.16 94.34 Favored Pre-proline 0 CA--C 1.534 0.339 0 CA-C-N 115.712 -0.677 . . . . 74.53 111.204 -177.148 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 123' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -56.35 -50.19 12.78 Favored 'Trans proline' 0 C--N 1.356 0.97 0 C-N-CA 122.758 2.305 . . . . 65.25 111.946 178.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 124' ' ' TYR . . . . . 0.582 ' HB3' HG23 ' B' ' 128' ' ' THR . 55.9 m-85 -67.27 113.78 5.45 Favored 'General case' 0 CA--C 1.532 0.269 0 N-CA-C 107.971 -1.122 . . . . 65.35 107.971 175.549 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 125' ' ' SER . . . . . 0.526 ' O ' HG22 ' B' ' 128' ' ' THR . 21.7 m -64.32 -175.21 0.15 Allowed 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 114.956 1.465 . . . . 64.23 114.956 -161.021 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 126' ' ' ASN . . . . . . . . . . . . . 31.7 m-20 -63.19 -50.24 71.11 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 114.596 -1.184 . . . . 74.24 111.425 -169.47 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 127' ' ' ALA . . . . . 0.448 ' HB2' ' CB ' ' A' ' 127' ' ' ALA . . . -66.29 2.5 1.19 Allowed 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.706 -0.679 . . . . 74.33 112.268 -175.385 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 128' ' ' THR . . . . . 0.582 HG23 ' HB3' ' B' ' 124' ' ' TYR . 0.6 OUTLIER -110.98 -13.18 14.14 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-O 120.808 0.337 . . . . 64.4 110.418 -179.867 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 129' ' ' ARG . . . . . . . . . . . . . 19.3 ptt85 -117.88 -41.9 2.87 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 121.14 0.495 . . . . 75.21 110.823 -178.15 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 130' ' ' ASN . . . . . . . . . . . . . 15.9 m120 -77.73 -49.68 13.94 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.698 -0.683 . . . . 74.14 110.545 178.482 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 131' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -72.81 -43.95 62.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 75.43 111.01 -177.429 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 132' ' ' VAL . . . . . . . . . . . . . 55.7 t -82.11 148.11 5.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.973 -0.558 . . . . 62.31 109.583 177.695 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 133' ' ' ALA . . . . . . . . . . . . . . . -77.24 87.31 3.67 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.414 0.626 . . . . 72.23 111.311 -176.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 134' ' ' VAL . . . . . 0.482 HG12 HG13 ' B' ' 97' ' ' VAL . 11.3 t -103.98 112.75 38.72 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.654 0 CA-C-N 115.482 -0.781 . . . . 64.53 110.255 172.576 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 3.8 mpt_? -88.73 122.48 32.19 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.017 -0.538 . . . . 74.32 110.252 177.293 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 85.0 mt -88.81 117.01 27.5 Favored 'General case' 0 N--CA 1.447 -0.615 0 CA-C-N 116.063 -0.517 . . . . 72.41 109.963 176.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 137' ' ' VAL . . . . . 0.576 ' O ' ' HA ' ' B' ' 100' ' ' ARG . 0.6 OUTLIER -126.66 124.32 64.85 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-N 115.337 -0.847 . . . . 74.23 109.792 -177.48 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 138' ' ' VAL . . . . . . . . . . . . . 2.3 m -90.9 137.7 21.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 N-CA-C 108.943 -0.762 . . . . 70.52 108.943 -179.694 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 139' ' ' ALA . . . . . 0.474 ' HB3' ' HA ' ' B' ' 102' ' ' ALA . . . . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.663 -0.684 . . . . 71.35 111.418 -171.265 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.5 ptm . . . . . 0 N--CA 1.482 1.141 0 N-CA-C 110.232 -0.284 . . . . 71.43 110.232 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.45 ' O ' ' HD2' ' B' ' 87' ' ' PRO . 48.2 t30 -99.42 82.51 2.68 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.286 -0.416 . . . . 75.52 110.008 -179.454 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.484 HG23 ' HB2' ' A' ' 6' ' ' LYS . 32.4 mm -65.32 116.17 4.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 121.092 0.472 . . . . 51.02 111.417 178.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.641 ' HG ' ' HD3' ' B' ' 87' ' ' PRO . 85.7 mt -81.43 -37.36 28.21 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.337 -0.847 . . . . 74.21 109.891 177.333 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 28.0 t80 -141.86 134.49 28.37 Favored 'General case' 0 C--O 1.222 -0.36 0 CA-C-N 115.972 -0.558 . . . . 73.42 110.119 -179.567 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.484 ' HB2' HG23 ' A' ' 3' ' ' ILE . 28.5 ttmt -143.34 141.92 31.12 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.192 0.52 . . . . 62.42 110.944 174.594 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 7.7 t -144.0 166.59 24.53 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 114.99 -1.004 . . . . 73.02 109.369 178.151 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.403 ' HA ' ' HA ' ' B' ' 82' ' ' GLU . . . -131.61 146.77 52.37 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 120.996 0.427 . . . . 64.34 111.798 -175.023 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -138.67 124.64 20.0 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.978 -0.555 . . . . 73.03 110.239 176.63 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.529 ' HA ' ' HA ' ' B' ' 80' ' ' THR . 15.3 t -107.17 142.21 37.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.939 0.399 . . . . 73.43 110.287 -178.873 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 41.8 p -124.84 113.56 18.06 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.167 -0.47 . . . . 74.42 110.345 -178.617 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.614 ' HA ' HG22 ' B' ' 78' ' ' THR . 3.1 m -88.8 156.91 18.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.047 -0.524 . . . . 72.12 111.286 -177.598 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -76.31 73.82 1.76 Allowed Glycine 0 N--CA 1.45 -0.385 0 CA-C-N 116.098 -0.501 . . . . 62.44 111.898 173.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -71.44 -144.97 0.38 Allowed Glycine 0 CA--C 1.521 0.445 0 C-N-CA 121.353 -0.451 . . . . 62.02 112.401 177.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 5.9 tpp180 -54.05 -49.24 69.43 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-O 120.946 0.403 . . . . 73.04 109.95 179.384 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.523 ' HB3' ' HA ' ' A' ' 31' ' ' SER . 29.2 t70 -125.71 -42.56 1.92 Allowed 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 108.74 -0.837 . . . . 74.22 108.74 167.305 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -166.05 165.57 38.2 Favored Glycine 0 N--CA 1.446 -0.672 0 C-N-CA 120.813 -0.708 . . . . 73.12 112.084 167.276 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.513 ' HA ' ' HA ' ' A' ' 29' ' ' LYS . 43.9 mtt-85 -122.04 171.24 9.11 Favored 'General case' 0 C--N 1.321 -0.645 0 C-N-CA 122.824 0.45 . . . . 73.24 109.881 174.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -153.87 123.56 6.72 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 108.943 -0.762 . . . . 71.12 108.943 171.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 32.4 m -140.31 114.24 8.94 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-O 120.693 0.282 . . . . 65.23 110.583 -176.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.5 ' HB3' ' N ' ' A' ' 26' ' ' LEU . 29.1 t -71.61 109.45 5.55 Favored 'General case' 0 C--O 1.248 1.003 0 N-CA-C 107.866 -1.161 . . . . 62.3 107.866 174.849 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.477 ' C ' ' H ' ' A' ' 24' ' ' GLN . 49.8 t-80 -56.78 -21.62 29.94 Favored 'General case' 0 N--CA 1.472 0.656 0 O-C-N 125.982 2.051 . . . . 71.44 112.418 -168.471 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.441 ' HB2' ' HG2' ' A' ' 25' ' ' LYS . 1.3 m-20 -79.91 19.81 0.67 Allowed 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 109.283 -0.636 . . . . 73.43 109.283 178.026 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.477 ' H ' ' C ' ' A' ' 22' ' ' HIS . 25.6 mm-40 64.4 20.61 12.23 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 115.335 -0.848 . . . . 72.53 109.999 177.422 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.441 ' HG2' ' HB2' ' A' ' 23' ' ' ASP . 32.0 mmtp -81.97 -35.88 28.52 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 115.088 -0.96 . . . . 73.44 110.034 -179.404 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.5 ' N ' ' HB3' ' A' ' 21' ' ' SER . 54.1 tp -143.57 145.82 32.82 Favored 'General case' 0 CA--C 1.51 -0.589 0 C-N-CA 120.011 -0.675 . . . . 74.42 111.96 -172.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -155.42 91.4 1.32 Allowed 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 114.733 -1.121 . . . . 74.5 110.156 -178.084 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 5.0 m -139.62 178.13 3.91 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.386 0 CA-C-N 115.949 -0.568 . . . . 62.12 111.697 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.513 ' HA ' ' HA ' ' A' ' 18' ' ' ARG . 4.8 ttpp -137.83 144.2 41.36 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.279 -0.873 . . . . 62.42 110.15 -178.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.629 ' HA ' ' H ' ' A' ' 44' ' ' THR . 0.0 OUTLIER -126.42 162.62 25.14 Favored 'General case' 0 C--O 1.251 1.15 0 CA-C-O 121.045 0.45 . . . . 73.21 110.959 179.362 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.523 ' HA ' ' HB3' ' A' ' 16' ' ' ASP . 30.9 p -171.07 146.02 2.37 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 115.221 -0.9 . . . . 75.34 110.955 -173.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -76.75 125.58 86.98 Favored Pre-proline 0 C--O 1.24 0.568 0 CA-C-N 116.087 -0.506 . . . . 52.21 110.943 -179.434 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -58.88 147.37 89.53 Favored 'Trans proline' 0 C--N 1.35 0.615 0 C-N-CA 122.733 2.289 . . . . 73.33 111.348 176.241 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 30.6 tpt180 -68.78 -16.7 63.87 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.324 -0.398 . . . . 64.52 110.917 -175.122 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -51.69 -37.36 50.37 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 116.126 -0.488 . . . . 75.14 111.116 178.704 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 54.4 mt -102.23 22.25 13.61 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.881 -0.6 . . . . 73.53 110.625 -176.061 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 79.08 25.69 59.27 Favored Glycine 0 N--CA 1.452 -0.252 0 CA-C-N 115.85 -0.613 . . . . 72.22 111.793 -177.502 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -81.1 -128.99 0.92 Allowed Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 121.156 -0.545 . . . . 73.44 111.841 -178.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -128.61 -7.1 5.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 122.65 -0.324 . . . . 63.22 111.412 -179.354 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 59.11 26.63 61.43 Favored Glycine 0 C--N 1.329 0.144 0 C-N-CA 121.13 -0.557 . . . . 45.53 112.687 -178.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -79.9 147.27 31.74 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 110.513 -0.18 . . . . 51.12 110.513 -179.771 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -68.83 87.33 0.35 Allowed 'General case' 0 C--O 1.236 0.362 0 CA-C-O 122.157 0.98 . . . . 71.23 110.337 177.742 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -140.26 -144.19 4.45 Favored Glycine 0 C--N 1.311 -0.839 0 CA-C-N 114.353 -1.294 . . . . 55.55 111.604 174.413 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.629 ' H ' ' HA ' ' A' ' 30' ' ' LEU . 85.9 m -143.96 159.88 41.81 Favored 'General case' 0 N--CA 1.444 -0.728 0 N-CA-C 109.815 -0.439 . . . . 74.01 109.815 -179.72 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 44.3 m-20 -91.43 124.88 59.82 Favored Pre-proline 0 C--O 1.236 0.378 0 N-CA-C 109.895 -0.409 . . . . 72.33 109.895 173.148 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -55.21 -34.35 87.68 Favored 'Trans proline' 0 C--N 1.349 0.566 0 C-N-CA 122.786 2.324 . . . . 63.04 112.277 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -58.37 -42.87 87.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.888 -0.597 . . . . 62.13 110.736 179.762 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -65.22 -37.67 87.99 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.943 -0.572 . . . . 74.41 109.706 177.451 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.508 HD13 ' HA3' ' B' ' 53' ' ' GLY . 3.4 tm? -62.4 -48.42 79.79 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 115.469 -0.787 . . . . 71.11 109.979 -178.869 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 62.9 t80 -63.24 -47.08 83.98 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 116.228 -0.442 . . . . 65.21 110.452 177.363 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -54.4 -53.11 58.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.946 -0.57 . . . . 52.03 111.65 179.005 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.529 ' HB3' ' HB3' ' B' ' 19' ' ' ALA . . . -65.09 -46.26 81.83 Favored 'General case' 0 C--O 1.237 0.444 0 CA-C-O 121.133 0.492 . . . . 73.32 110.521 -177.866 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.458 ' HA3' HD11 ' B' ' 49' ' ' LEU . . . -60.71 -45.19 96.89 Favored Glycine 0 N--CA 1.447 -0.617 0 CA-C-N 115.486 -0.779 . . . . 45.35 112.612 -179.041 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 7.2 t80 -72.83 -39.53 66.52 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.54 0.17 . . . . 74.55 111.032 -177.691 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.449 ' HB3' ' HB1' ' A' ' 81' ' ' ALA . 61.3 p -62.92 -43.49 98.64 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.882 0.373 . . . . 73.1 110.261 179.708 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.459 ' HB2' HD23 ' B' ' 30' ' ' LEU . . . -70.63 -44.36 67.33 Favored 'General case' 0 CA--C 1.528 0.126 0 CA-C-N 116.021 -0.536 . . . . 72.41 110.442 176.708 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.41 ' SG ' ' HB3' ' B' ' 46' ' ' PRO . 42.5 t -56.43 -35.85 68.31 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 115.84 -0.618 . . . . 74.4 110.455 177.604 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 19.0 t80 -55.59 -31.57 62.34 Favored 'General case' 0 CA--C 1.529 0.135 0 CA-C-N 115.804 -0.635 . . . . 74.24 110.315 -178.311 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 63.4 tp -67.84 -48.5 66.0 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.182 -0.463 . . . . 74.12 110.066 176.617 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.457 ' O ' ' HB3' ' A' ' 63' ' ' LYS . 2.9 m -60.67 -40.59 92.67 Favored 'General case' 0 C--O 1.24 0.567 0 CA-C-O 121.388 0.613 . . . . 74.4 110.167 178.801 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -62.13 -49.99 73.67 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.656 -0.702 . . . . 64.15 109.92 177.309 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' MET . . . . . 0.419 ' SD ' ' HB3' ' A' ' 118' ' ' ALA . 82.3 mmm -67.55 -20.49 65.41 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.771 -0.65 . . . . 61.32 111.016 178.191 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.457 ' HB3' ' O ' ' A' ' 60' ' ' SER . 7.1 tmtm? -68.06 -48.99 64.07 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 108.841 -0.8 . . . . 62.32 108.841 173.666 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 60.7 t80 -62.51 -40.99 98.5 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 115.888 -0.597 . . . . 70.35 110.246 175.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 53.2 t -61.92 -50.38 80.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.017 -0.538 . . . . 51.41 110.744 178.233 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -56.89 -31.86 65.29 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.985 0.421 . . . . 55.45 110.478 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -68.16 -33.49 78.61 Favored Glycine 0 CA--C 1.517 0.181 0 CA-C-N 115.364 -0.835 . . . . 65.01 112.32 -177.727 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 9.5 pt20 -94.37 -19.15 20.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.208 0.528 . . . . 73.33 109.626 -178.39 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 16.0 m-80 -93.76 2.59 56.21 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.395 -0.82 . . . . 73.35 110.751 -179.192 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 22.5 mmtm 63.0 28.3 16.2 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 115.385 -0.825 . . . . 70.5 111.119 172.019 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -122.06 168.61 11.74 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.064 -0.516 . . . . 65.11 110.782 -177.681 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 15.9 p -124.89 142.33 51.52 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.78 -0.645 . . . . 71.13 110.171 178.18 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 95.3 mt -109.22 141.38 23.36 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.407 -0.36 . . . . 64.52 110.304 -179.503 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.435 ' O ' HG21 ' A' ' 77' ' ' THR . 33.0 Cg_endo -64.52 121.75 9.42 Favored 'Trans proline' 0 C--N 1.348 0.548 0 C-N-CA 122.62 2.213 . . . . 75.32 111.967 179.113 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -77.1 1.62 17.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.929 0.395 . . . . 74.43 111.774 -177.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -90.9 0.43 57.5 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.314 0.578 . . . . 72.44 110.637 -179.102 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.522 ' HA ' ' HD3' ' A' ' 104' ' ' PRO . 4.2 t -69.65 160.5 31.47 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.593 -0.73 . . . . 74.0 112.493 -174.215 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 27.7 m -143.26 149.3 37.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 114.882 -1.054 . . . . 72.13 109.407 177.527 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 60.1 t -129.31 149.65 33.87 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 N-CA-C 109.095 -0.705 . . . . 73.54 109.095 179.697 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 48.0 m -135.74 111.87 9.67 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.989 0.423 . . . . 61.0 110.54 172.128 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.449 ' HB1' ' HB3' ' A' ' 55' ' ' SER . . . -93.07 108.89 20.38 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.413 -0.588 . . . . 75.0 109.413 176.475 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.487 ' HG2' ' HD3' ' B' ' 6' ' ' LYS . 41.0 tt0 -109.94 107.62 17.6 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.803 -0.444 . . . . 75.53 109.803 -176.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.595 HG12 HG11 ' A' ' 97' ' ' VAL . 30.0 m -108.89 145.79 15.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.834 0.35 . . . . 74.25 110.99 -176.388 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.462 ' HA2' ' HA ' ' B' ' 6' ' ' LYS . . . -139.28 163.71 25.99 Favored Glycine 0 N--CA 1.446 -0.691 0 C-N-CA 121.274 -0.489 . . . . 64.22 112.014 -179.621 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -135.84 130.75 49.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 N-CA-C 108.916 -0.772 . . . . 71.32 108.916 179.496 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -151.7 169.76 31.17 Favored Glycine 0 N--CA 1.453 -0.183 0 CA-C-N 115.459 -0.791 . . . . 64.2 111.463 -179.456 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . 0.733 ' HD3' ' HG ' ' B' ' 4' ' ' LEU . 6.3 Cg_exo -77.44 121.23 5.54 Favored 'Trans proline' 0 N--CA 1.46 -0.489 0 C-N-CA 122.865 2.376 . . . . 75.13 111.939 -178.578 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . 0.491 ' HB2' ' HB1' ' A' ' 94' ' ' ALA . 24.9 t-20 -74.09 151.82 40.05 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.136 -0.483 . . . . 63.43 109.783 177.733 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -60.56 -13.56 14.86 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 116.343 -0.389 . . . . 74.31 111.766 -178.587 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -68.99 -27.31 65.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.068 0.461 . . . . 62.35 111.111 176.346 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.03 35.25 3.48 Favored Glycine 0 N--CA 1.454 -0.146 0 N-CA-C 111.16 -0.776 . . . . 52.42 111.16 -172.768 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . 0.429 ' O ' ' HA ' ' A' ' 87' ' ' PRO . . . -145.86 -158.71 7.83 Favored Glycine 0 CA--C 1.51 -0.28 0 N-CA-C 111.048 -0.821 . . . . 74.12 111.048 179.804 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 29.8 m-85 -99.51 160.03 14.59 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 117.377 0.589 . . . . 72.25 110.781 178.192 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.491 ' HB1' ' HB2' ' A' ' 88' ' ' ASN . . . -150.71 136.71 18.36 Favored 'General case' 0 C--O 1.239 0.505 0 CA-C-N 115.869 -0.605 . . . . 73.43 109.979 176.038 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -97.49 123.44 41.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.908 -0.587 . . . . 75.45 110.19 177.724 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -109.99 110.65 21.64 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.297 -0.865 . . . . 62.1 109.334 178.566 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.595 HG11 HG12 ' A' ' 83' ' ' VAL . 61.3 t -108.47 110.52 32.3 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.929 0 CA-C-N 115.997 -0.547 . . . . 41.42 110.722 -175.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -98.27 106.47 18.77 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.7 -0.482 . . . . 52.25 109.7 175.085 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 27.4 tp -93.94 110.17 21.86 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.091 -0.504 . . . . 73.33 109.843 -178.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.563 ' HA ' ' O ' ' A' ' 137' ' ' VAL . 28.9 ttm180 -99.58 116.89 32.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.63 -0.714 . . . . 73.43 110.454 -177.2 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.425 HG13 ' CD2' ' A' ' 103' ' ' LEU . 34.3 t -112.83 104.0 16.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.357 -0.383 . . . . 72.23 110.675 -174.26 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -105.91 101.67 11.15 Favored 'General case' 0 N--CA 1.466 0.332 0 N-CA-C 112.088 0.403 . . . . 73.1 112.088 -174.178 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.614 ' HB2' HD23 ' A' ' 106' ' ' LEU . 4.0 mm? -101.18 133.68 20.81 Favored Pre-proline 0 N--CA 1.466 0.338 0 CA-C-N 115.935 -0.575 . . . . 73.31 109.797 174.156 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . 0.522 ' HD3' ' HA ' ' A' ' 77' ' ' THR . 74.4 Cg_endo -76.2 148.71 31.09 Favored 'Trans proline' 0 N--CA 1.459 -0.517 0 C-N-CA 122.715 2.277 . . . . 73.52 111.945 177.521 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 64.42 14.57 57.51 Favored Glycine 0 CA--C 1.524 0.63 0 CA-C-N 115.332 -0.849 . . . . 54.45 112.869 -178.654 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.614 HD23 ' HB2' ' A' ' 103' ' ' LEU . 40.5 tp -118.74 138.87 52.36 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-O 120.974 0.416 . . . . 65.03 110.67 -178.738 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -76.48 161.22 28.81 Favored 'General case' 0 CA--C 1.509 -0.628 0 CA-C-N 115.765 -0.652 . . . . 72.42 110.218 178.416 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . 0.572 ' O ' ' HG3' ' A' ' 112' ' ' LYS . . . -68.13 -43.71 77.76 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 115.542 -0.753 . . . . 74.35 109.645 170.112 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -57.64 -51.01 71.25 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 115.801 -0.636 . . . . 64.13 110.844 -178.184 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . 0.473 ' O ' HG22 ' A' ' 113' ' ' THR . . . -68.34 -43.18 78.09 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 115.936 -0.574 . . . . 73.25 110.004 179.143 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -55.26 -35.32 64.88 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 115.757 -0.656 . . . . 54.13 111.694 178.673 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . 0.572 ' HG3' ' O ' ' A' ' 108' ' ' ALA . 68.3 mttm -52.11 -45.62 64.96 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-O 120.534 0.207 . . . . 74.23 111.106 178.455 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' THR . . . . . 0.473 HG22 ' O ' ' A' ' 110' ' ' ALA . 1.6 t -82.2 -37.89 25.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.45 -0.341 . . . . 74.22 110.558 -177.468 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.441 ' HG ' ' O ' ' A' ' 110' ' ' ALA . 44.7 mt -63.17 -50.07 71.82 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-O 120.942 0.401 . . . . 61.01 110.584 -177.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 97.6 t -65.07 -33.08 61.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.918 -0.583 . . . . 72.22 110.086 178.562 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -60.87 -61.01 2.9 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-O 120.926 0.393 . . . . 65.51 110.909 179.537 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . 0.457 ' HG2' ' O ' ' A' ' 113' ' ' THR . 13.7 ptm180 -62.09 -40.96 97.6 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.54 -0.754 . . . . 65.24 110.739 -178.14 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . 0.419 ' HB3' ' SD ' ' A' ' 62' ' ' MET . . . -59.89 -44.48 94.2 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.239 0.542 . . . . 63.41 110.061 176.372 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . 0.62 ' CE1' HG23 ' A' ' 128' ' ' THR . 43.5 t-80 -79.76 10.01 4.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.496 -0.775 . . . . 74.13 110.522 -179.612 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 6.2 t60 -108.7 -42.79 4.42 Favored 'General case' 0 C--N 1.333 -0.137 0 N-CA-C 109.806 -0.442 . . . . 75.14 109.806 173.584 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 34.3 m -82.79 -33.9 11.11 Favored 'Isoleucine or valine' 0 C--O 1.234 0.251 0 CA-C-N 115.997 -0.547 . . . . 74.54 112.069 -175.134 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' CYS . . . . . 0.532 ' O ' ' HB2' ' A' ' 125' ' ' SER . 74.7 m -68.3 149.51 98.05 Favored Pre-proline 0 CA--C 1.532 0.267 0 CA-C-N 116.869 -0.15 . . . . 72.12 110.601 179.301 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -65.73 171.26 9.96 Favored 'Trans proline' 0 C--N 1.352 0.729 0 C-N-CA 122.582 2.188 . . . . 75.04 112.525 -178.696 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 68.04 4.75 4.22 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 123.382 0.673 . . . . 65.44 109.835 -176.092 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' SER . . . . . 0.621 ' O ' ' HG2' ' A' ' 129' ' ' ARG . 41.3 t -58.63 -53.48 57.91 Favored 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 123.731 0.812 . . . . 65.33 112.571 -169.683 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 29.9 p-10 -69.52 -35.9 75.91 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.208 0.527 . . . . 73.42 110.105 -170.145 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . 0.761 ' HB1' ' HB3' ' B' ' 127' ' ' ALA . . . -83.25 5.33 23.38 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.459 -0.791 . . . . 54.1 111.292 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' THR . . . . . 0.62 HG23 ' CE1' ' A' ' 119' ' ' HIS . 1.7 t -129.23 11.41 5.92 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.071 0.462 . . . . 73.21 110.752 -175.317 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . 0.621 ' HG2' ' O ' ' A' ' 125' ' ' SER . 15.1 ptm180 -153.06 -43.73 0.1 Allowed 'General case' 0 N--CA 1.446 -0.639 0 CA-C-O 120.897 0.379 . . . . 72.04 111.292 170.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 14.7 m120 -78.66 -50.35 11.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.291 -0.413 . . . . 71.52 111.056 -175.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -89.52 -27.38 20.33 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.126 -0.488 . . . . 72.12 111.831 -173.248 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 59.3 t -123.52 145.73 30.05 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.248 0 CA-C-O 120.666 0.269 . . . . 70.22 110.601 -173.714 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -75.57 92.03 2.88 Favored 'General case' 0 C--O 1.238 0.494 0 CA-C-O 121.631 0.729 . . . . 45.42 111.396 -176.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . 0.536 HG21 ' HB ' ' A' ' 97' ' ' VAL . 61.3 t -119.75 109.61 26.71 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.57 0 CA-C-N 114.844 -1.071 . . . . 75.02 110.507 177.569 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 8.2 mmm-85 -80.8 114.06 19.43 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.631 -0.713 . . . . 74.34 109.365 178.141 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . 0.496 HD13 ' ND1' ' A' ' 119' ' ' HIS . 16.6 mt -84.47 101.88 12.38 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.19 0.519 . . . . 50.04 110.6 179.686 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . 0.563 ' O ' ' HA ' ' A' ' 100' ' ' ARG . 0.2 OUTLIER -105.43 112.45 38.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 115.494 -0.775 . . . . 74.42 109.614 178.247 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 4.1 m -91.26 139.05 18.37 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-N 115.523 -0.762 . . . . 71.15 109.958 -177.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.312 -1.042 0 CA-C-N 115.677 -0.692 . . . . 73.13 110.861 -176.012 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.427 ' HE3' ' HB3' ' A' ' 94' ' ' ALA . 19.8 ptt? . . . . . 0 C--O 1.236 0.345 0 CA-C-O 121.116 0.484 . . . . 72.42 110.899 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 55.2 t30 -78.34 70.35 4.68 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.791 -0.64 . . . . 61.35 110.501 178.138 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . 0.526 HG23 ' HB2' ' B' ' 6' ' ' LYS . 28.6 mm -62.84 137.84 23.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 115.691 -0.686 . . . . 72.42 111.226 176.205 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . 0.733 ' HG ' ' HD3' ' A' ' 87' ' ' PRO . 94.4 mt -90.46 -47.15 7.89 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.797 -0.638 . . . . 75.25 109.871 174.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 5' ' ' TYR . . . . . . . . . . . . . 39.5 t80 -136.78 128.12 28.25 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 116.033 -0.531 . . . . 75.45 110.158 -179.005 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . 0.526 ' HB2' HG23 ' B' ' 3' ' ' ILE . 31.8 ttmt -133.24 128.91 36.9 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.202 0.525 . . . . 65.01 110.711 178.042 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 8.5 t -119.95 138.14 53.64 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.619 -0.719 . . . . 73.02 109.543 -179.597 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . 0.467 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . . . -114.82 136.05 53.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.32 -0.4 . . . . 64.22 110.823 -177.094 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . 0.711 ' HA ' ' HA ' ' B' ' 21' ' ' SER . . . -127.03 120.89 30.1 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.089 0.471 . . . . 71.2 110.861 179.583 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 60.9 m -96.85 114.02 25.61 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.565 -0.743 . . . . 64.31 110.037 -179.617 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 11.8 p -106.12 113.48 27.04 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.845 -0.616 . . . . 74.14 110.477 178.415 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 3.2 m -93.11 156.24 16.98 Favored 'General case' 0 C--O 1.241 0.637 0 CA-C-N 115.92 -0.582 . . . . 73.24 110.875 -179.134 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -78.06 74.39 2.03 Favored Glycine 0 N--CA 1.446 -0.689 0 CA-C-N 115.909 -0.587 . . . . 71.12 111.94 175.483 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -67.78 -138.89 0.06 OUTLIER Glycine 0 CA--C 1.521 0.426 0 C-N-CA 121.347 -0.454 . . . . 73.4 112.098 175.629 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 18.0 mmm180 -65.43 -50.6 64.81 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 117.225 0.512 . . . . 65.14 110.623 176.707 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 16' ' ' ASP . . . . . 0.522 ' HB3' ' HA ' ' B' ' 31' ' ' SER . 10.4 t70 -125.72 -43.12 1.88 Allowed 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.129 -0.693 . . . . 65.33 109.129 172.056 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 17' ' ' GLY . . . . . 0.41 ' HA3' ' CD2' ' B' ' 30' ' ' LEU . . . -164.89 151.85 21.09 Favored Glycine 0 C--N 1.342 0.9 0 C-N-CA 120.204 -0.998 . . . . 74.22 111.768 163.534 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 26.1 tpt85 -132.02 100.99 5.24 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.769 -0.456 . . . . 74.4 109.769 -179.528 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 19' ' ' ALA . . . . . 0.529 ' HB3' ' HB3' ' A' ' 52' ' ' ALA . . . -99.5 124.03 44.3 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 120.558 0.218 . . . . 64.31 110.444 -174.24 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 30.2 m -138.46 112.31 8.4 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 110.483 -0.191 . . . . 75.11 110.483 -177.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 21' ' ' SER . . . . . 0.711 ' HA ' ' HA ' ' B' ' 9' ' ' ALA . 13.1 t -65.21 107.21 1.51 Allowed 'General case' 0 C--O 1.245 0.851 0 N-CA-C 106.697 -1.594 . . . . 74.21 106.697 179.096 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 22' ' ' HIS . . . . . 0.481 ' H ' ' HA ' ' B' ' 9' ' ' ALA . 39.8 t-80 -55.0 -26.3 36.03 Favored 'General case' 0 C--N 1.348 0.501 0 O-C-N 126.462 2.351 . . . . 73.12 112.644 -165.195 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -80.48 17.27 1.12 Allowed 'General case' 0 C--N 1.317 -0.815 0 CA-C-O 121.292 0.568 . . . . 63.54 109.907 178.66 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . 0.408 ' H ' ' C ' ' B' ' 22' ' ' HIS . 28.1 mm-40 68.38 29.78 5.68 Favored 'General case' 0 CA--C 1.518 -0.276 0 CA-C-N 114.783 -1.099 . . . . 71.43 110.565 173.392 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.625 ' HZ2' ' HB2' ' B' ' 25' ' ' LYS . 8.2 mtmp? -103.23 -11.0 18.3 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 115.665 -0.698 . . . . 41.25 112.157 176.439 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . 0.582 ' HB3' ' HB2' ' B' ' 21' ' ' SER . 50.1 tp -150.16 148.56 29.1 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 119.582 -0.847 . . . . 73.34 110.95 173.142 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -158.34 91.0 1.06 Allowed 'General case' 0 CA--C 1.536 0.415 0 O-C-N 123.497 0.498 . . . . 53.33 110.403 178.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 4.9 m -143.28 177.91 2.27 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.441 0 CA-C-O 121.686 0.755 . . . . 74.12 112.175 178.712 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -126.48 146.48 50.09 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 114.752 -1.113 . . . . 74.12 109.728 179.333 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . 0.859 ' HA ' ' H ' ' B' ' 44' ' ' THR . 0.0 OUTLIER -129.05 166.07 19.94 Favored 'General case' 0 C--O 1.253 1.251 0 CA-C-O 120.65 0.262 . . . . 72.32 110.446 176.257 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 31' ' ' SER . . . . . 0.522 ' HA ' ' HB3' ' B' ' 16' ' ' ASP . 29.9 m -155.05 135.56 13.39 Favored 'General case' 0 N--CA 1.455 -0.195 0 CA-C-N 115.562 -0.744 . . . . 62.35 111.115 -174.337 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -74.72 130.38 81.58 Favored Pre-proline 0 C--O 1.239 0.526 0 CA-C-N 116.288 -0.414 . . . . 75.13 110.463 175.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 33' ' ' PRO . . . . . 0.575 ' HG2' HD21 ' B' ' 36' ' ' LEU . 9.9 Cg_endo -51.33 122.26 9.82 Favored 'Trans proline' 0 C--N 1.351 0.664 0 C-N-CA 122.671 2.247 . . . . 72.21 111.532 179.36 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 34' ' ' ARG . . . . . 0.497 ' HB2' ' HA2' ' B' ' 40' ' ' GLY . 0.6 OUTLIER -51.04 -37.21 44.02 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 115.409 -0.814 . . . . 71.43 110.934 -174.393 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -50.6 -38.18 44.23 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 115.932 -0.576 . . . . 72.42 112.509 -172.013 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . 0.575 HD21 ' HG2' ' B' ' 33' ' ' PRO . 1.7 mm? -88.58 -26.53 21.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.779 0.323 . . . . 63.52 110.573 -174.38 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 135.67 44.67 0.1 OUTLIER Glycine 0 C--N 1.331 0.251 0 C-N-CA 121.13 -0.557 . . . . 51.22 112.592 179.154 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -100.37 -137.25 9.71 Favored Glycine 0 N--CA 1.445 -0.747 0 N-CA-C 111.294 -0.723 . . . . 64.12 111.294 178.457 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -116.48 -8.19 11.59 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 120.805 0.336 . . . . 71.25 111.576 -177.177 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 40' ' ' GLY . . . . . 0.497 ' HA2' ' HB2' ' B' ' 34' ' ' ARG . . . 64.5 24.65 69.53 Favored Glycine 0 C--N 1.333 0.395 0 C-N-CA 121.108 -0.568 . . . . 53.13 112.762 -176.392 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -78.56 161.63 26.87 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.747 0.308 . . . . 75.21 110.873 -177.522 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -87.91 37.21 0.79 Allowed 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 116.246 -0.434 . . . . 74.14 112.061 -173.199 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -97.7 -162.23 31.22 Favored Glycine 0 CA--C 1.521 0.416 0 C-N-CA 121.195 -0.526 . . . . 72.12 112.527 178.77 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 44' ' ' THR . . . . . 0.859 ' H ' ' HA ' ' B' ' 30' ' ' LEU . 62.0 m -98.5 133.03 43.44 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 110.276 -0.268 . . . . 70.51 110.276 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 45' ' ' ASN . . . . . 0.542 ' HB2' ' HB3' ' B' ' 48' ' ' GLN . 2.4 m-20 -61.62 141.51 94.81 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 116.92 -0.127 . . . . 71.14 111.105 -179.221 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 46' ' ' PRO . . . . . 0.41 ' HB3' ' SG ' ' A' ' 57' ' ' CYS . 26.4 Cg_exo -63.58 -55.32 0.72 Allowed 'Trans proline' 0 C--N 1.35 0.641 0 C-N-CA 123.225 2.617 . . . . 54.41 112.913 -178.318 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 47' ' ' GLU . . . . . 0.453 ' OE1' ' HB3' ' B' ' 45' ' ' ASN . 1.4 pm0 -65.2 -35.51 81.28 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-O 121.158 0.504 . . . . 73.03 110.092 -178.606 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . 0.542 ' HB3' ' HB2' ' B' ' 45' ' ' ASN . 24.6 tt0 -60.7 -40.33 91.86 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.57 -0.741 . . . . 65.22 110.128 173.892 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 49' ' ' LEU . . . . . 0.458 HD11 ' HA3' ' A' ' 53' ' ' GLY . 3.4 tm? -64.82 -50.97 64.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.196 -0.911 . . . . 73.15 110.238 -178.595 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 35.5 t80 -59.47 -49.79 76.42 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.398 -0.364 . . . . 74.53 110.585 178.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -53.16 -50.39 64.69 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.294 -0.412 . . . . 63.22 111.205 178.613 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.34 -49.04 79.34 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-N 116.069 -0.514 . . . . 74.31 111.136 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . 0.508 ' HA3' HD13 ' A' ' 49' ' ' LEU . . . -64.82 -36.52 93.2 Favored Glycine 0 N--CA 1.451 -0.339 0 CA-C-N 115.843 -0.617 . . . . 73.22 112.168 -179.053 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -70.83 -35.9 72.67 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.717 -0.475 . . . . 73.43 109.717 179.671 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 10.3 t -63.81 -50.92 67.04 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 116.059 -0.519 . . . . 71.55 109.65 178.106 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.92 -41.12 95.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.671 -0.695 . . . . 72.32 110.763 179.245 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 57' ' ' CYS . . . . . . . . . . . . . 51.9 t -63.43 -38.02 89.52 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.892 -0.594 . . . . 72.4 109.98 178.426 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 27.2 t80 -67.0 -35.37 79.8 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.01 -0.541 . . . . 61.11 109.615 -178.069 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . 0.419 ' O ' ' HG3' ' B' ' 63' ' ' LYS . 60.5 tp -64.24 -54.18 37.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.608 -0.724 . . . . 73.31 110.531 178.139 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 60' ' ' SER . . . . . 0.641 ' HA ' ' HD3' ' B' ' 63' ' ' LYS . 9.5 t -65.17 -41.71 94.41 Favored 'General case' 0 C--O 1.238 0.457 0 CA-C-O 121.122 0.487 . . . . 73.23 110.394 -178.226 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . 0.426 ' O ' HG22 ' B' ' 65' ' ' VAL . . . -59.63 -45.13 92.87 Favored 'General case' 0 C--N 1.334 -0.104 0 CA-C-N 115.968 -0.56 . . . . 44.1 110.225 177.305 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 62' ' ' MET . . . . . 0.465 ' HE2' ' HA ' ' B' ' 62' ' ' MET . 5.3 tpt -56.63 -39.09 73.04 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 115.849 -0.614 . . . . 71.0 110.212 177.239 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . 0.641 ' HD3' ' HA ' ' B' ' 60' ' ' SER . 56.1 mtpt -62.41 -51.98 65.37 Favored 'General case' 0 CA--C 1.53 0.178 0 CA-C-N 115.828 -0.623 . . . . 72.03 110.67 178.049 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 47.2 t80 -63.17 -37.29 86.64 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 121.017 0.436 . . . . 73.11 110.646 179.634 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . 0.426 HG22 ' O ' ' B' ' 61' ' ' ALA . 38.4 t -59.05 -43.08 88.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.048 -0.524 . . . . 75.05 110.152 176.596 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -58.84 -31.54 68.6 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.073 -0.512 . . . . 74.13 110.515 177.406 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -71.16 -29.86 68.19 Favored Glycine 0 C--N 1.329 0.192 0 CA-C-N 115.495 -0.775 . . . . 75.04 112.222 -177.227 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -97.25 -14.5 21.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.223 0.535 . . . . 64.5 109.702 179.624 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 11.4 m-80 -95.62 -1.53 50.06 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.421 -0.809 . . . . 65.21 110.813 176.299 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 61.24 29.59 18.78 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 115.95 -0.568 . . . . 73.12 111.422 174.362 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -118.65 166.21 13.02 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.574 -0.739 . . . . 74.24 110.397 179.62 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 15.4 p -126.83 125.82 42.31 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.053 -0.521 . . . . 74.12 111.176 -176.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . 0.433 ' CD2' ' HG3' ' B' ' 62' ' ' MET . 0.2 OUTLIER -109.82 140.92 22.71 Favored Pre-proline 0 C--N 1.326 -0.44 0 CA-C-N 115.985 -0.552 . . . . 75.15 111.27 179.457 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 74' ' ' PRO . . . . . 0.601 ' HD2' HD12 ' B' ' 103' ' ' LEU . 32.5 Cg_exo -60.73 120.74 8.64 Favored 'Trans proline' 0 C--N 1.349 0.584 0 C-N-CA 122.764 2.309 . . . . 74.32 111.399 172.387 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -77.01 -4.4 43.93 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.016 0.376 . . . . 71.53 112.016 -176.237 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -80.99 1.96 28.97 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-O 121.351 0.596 . . . . 60.22 110.932 -179.515 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 77' ' ' THR . . . . . 0.497 ' HB ' HD22 ' B' ' 103' ' ' LEU . 3.2 t -69.61 167.63 16.49 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.597 -0.729 . . . . 73.25 112.439 -176.148 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 78' ' ' THR . . . . . 0.614 HG22 ' HA ' ' A' ' 12' ' ' THR . 1.2 p -138.34 149.51 45.68 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.133 -0.94 . . . . 71.23 110.064 176.22 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 91.5 t -129.27 120.13 50.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 N-CA-C 109.409 -0.589 . . . . 54.24 109.409 175.129 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 80' ' ' THR . . . . . 0.529 ' HA ' ' HA ' ' A' ' 10' ' ' THR . 8.0 m -111.11 110.79 21.47 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 116.288 -0.414 . . . . 75.2 110.756 -177.443 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -92.92 106.81 18.72 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.093 -0.503 . . . . 73.43 109.679 177.775 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 82' ' ' GLU . . . . . 0.403 ' HA ' ' HA ' ' A' ' 8' ' ' ALA . 31.8 tt0 -98.59 107.72 20.24 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 108.817 -0.808 . . . . 71.23 108.817 178.381 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 7.4 p -103.86 134.61 44.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.044 -0.526 . . . . 71.44 111.196 -173.043 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 84' ' ' GLY . . . . . . . . . . . . . . . -127.28 167.2 19.76 Favored Glycine 0 N--CA 1.443 -0.881 0 CA-C-N 115.724 -0.671 . . . . 52.45 111.661 175.608 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -146.7 135.4 16.0 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.816 0 N-CA-C 109.272 -0.64 . . . . 73.1 109.272 178.394 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -155.25 169.65 33.25 Favored Glycine 0 N--CA 1.452 -0.26 0 N-CA-C 111.081 -0.808 . . . . 52.3 111.081 -178.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 87' ' ' PRO . . . . . 0.641 ' HD3' ' HG ' ' A' ' 4' ' ' LEU . 94.3 Cg_endo -82.44 142.09 11.61 Favored 'Trans proline' 0 N--CA 1.455 -0.786 0 C-N-CA 122.326 2.017 . . . . 70.05 112.786 -176.513 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 88' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -84.67 155.33 22.0 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.686 -0.857 . . . . 72.3 108.686 173.056 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -63.96 -11.48 28.99 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 120.689 0.28 . . . . 71.21 111.724 -176.572 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -71.01 -27.34 63.61 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-O 121.178 0.513 . . . . 74.05 110.484 175.546 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.19 34.16 3.76 Favored Glycine 0 N--CA 1.455 -0.099 0 CA-C-N 115.587 -0.733 . . . . 72.2 111.79 -175.367 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 92' ' ' GLY . . . . . 0.442 ' O ' ' HA ' ' B' ' 87' ' ' PRO . . . -134.3 -169.52 12.03 Favored Glycine 0 C--O 1.229 -0.213 0 N-CA-C 110.694 -0.962 . . . . 70.13 110.694 177.512 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 93' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -98.48 153.16 18.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 117.576 0.688 . . . . 73.12 111.124 179.446 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -143.19 139.82 30.48 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.533 -0.758 . . . . 62.21 109.314 178.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -103.45 145.42 30.03 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-O 121.147 0.499 . . . . 74.21 111.429 -175.32 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 96' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -126.86 133.68 50.67 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 114.97 -1.014 . . . . 73.53 109.241 -179.49 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 97' ' ' VAL . . . . . 0.517 ' HB ' HG23 ' B' ' 134' ' ' VAL . 61.3 t -137.74 110.95 7.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.81 0.338 . . . . 65.34 110.277 178.901 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 98' ' ' GLU . . . . . 0.455 ' HG2' ' HB2' ' B' ' 135' ' ' ARG . 40.6 mt-10 -98.62 111.75 24.02 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.709 -0.478 . . . . 74.42 109.709 176.559 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 88.3 mt -93.67 106.99 18.92 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 116.353 -0.385 . . . . 75.14 109.974 -178.174 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 100' ' ' ARG . . . . . 0.593 ' HA ' ' O ' ' B' ' 137' ' ' VAL . 77.8 ttt180 -99.53 106.89 18.94 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.537 -0.756 . . . . 70.24 110.475 -174.417 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 101' ' ' VAL . . . . . . . . . . . . . 84.9 t -97.49 99.44 8.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 116.434 -0.348 . . . . 60.12 110.54 -175.177 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 102' ' ' ALA . . . . . 0.51 ' HA ' ' HB3' ' B' ' 139' ' ' ALA . . . -91.95 101.21 13.77 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.357 -0.609 . . . . 53.32 109.357 178.442 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 103' ' ' LEU . . . . . 0.601 HD12 ' HD2' ' B' ' 74' ' ' PRO . 0.3 OUTLIER -112.68 118.59 44.79 Favored Pre-proline 0 C--N 1.326 -0.428 0 CA-C-N 115.521 -0.763 . . . . 72.24 109.423 -174.745 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 104' ' ' PRO . . . . . 0.479 ' HD2' HD13 ' B' ' 103' ' ' LEU . 65.2 Cg_endo -72.7 150.06 49.76 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.456 2.104 . . . . 74.24 112.524 179.183 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 105' ' ' GLY . . . . . . . . . . . . . . . 64.72 15.21 59.51 Favored Glycine 0 CA--C 1.521 0.412 0 CA-C-N 115.548 -0.751 . . . . 72.34 113.224 179.432 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 106' ' ' LEU . . . . . 0.417 HD23 ' HA ' ' B' ' 111' ' ' ALA . 31.9 tp -124.77 137.0 54.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.112 0.482 . . . . 65.44 110.952 -178.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -80.58 145.9 31.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.303 -0.862 . . . . 63.12 110.454 176.718 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 108' ' ' ALA . . . . . 0.466 ' O ' ' HG3' ' B' ' 112' ' ' LYS . . . -61.71 -37.4 84.02 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.515 -0.311 . . . . 74.55 111.058 -179.552 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -56.28 -46.21 79.82 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-N 116.14 -0.482 . . . . 64.51 110.937 -179.408 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 110' ' ' ALA . . . . . 0.563 ' O ' HG22 ' B' ' 113' ' ' THR . . . -77.75 -38.67 46.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.801 -0.636 . . . . 72.03 110.32 178.66 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 111' ' ' ALA . . . . . 0.417 ' HA ' HD23 ' B' ' 106' ' ' LEU . . . -54.76 -39.03 67.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.815 -0.63 . . . . 64.14 111.1 -178.64 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 112' ' ' LYS . . . . . 0.466 ' HG3' ' O ' ' B' ' 108' ' ' ALA . 98.6 mttt -58.08 -44.3 87.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.107 -0.497 . . . . 74.45 110.978 178.66 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 113' ' ' THR . . . . . 0.563 HG22 ' O ' ' B' ' 110' ' ' ALA . 1.1 t -73.03 -34.62 66.45 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 121.018 -0.273 . . . . 72.03 110.308 -177.846 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 114' ' ' LEU . . . . . 0.431 ' HG ' ' O ' ' B' ' 110' ' ' ALA . 52.9 mt -65.27 -49.9 67.79 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 116.388 -0.369 . . . . 72.05 110.419 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 115' ' ' VAL . . . . . . . . . . . . . 90.8 t -64.33 -37.39 79.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.043 -0.526 . . . . 63.55 110.327 178.437 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -58.77 -56.38 23.01 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 116.153 -0.476 . . . . 75.43 110.658 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 117' ' ' ARG . . . . . 0.414 ' HG2' ' O ' ' B' ' 113' ' ' THR . 1.9 ptm180 -65.71 -42.57 90.98 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-N 116.189 -0.459 . . . . 70.2 110.935 -177.184 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -59.99 -47.59 85.21 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 121.243 0.544 . . . . 61.11 110.854 -179.591 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 119' ' ' HIS . . . . . 0.568 ' HE2' ' HB3' ' B' ' 129' ' ' ARG . 19.9 t60 -73.1 -10.91 60.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.514 -0.766 . . . . 74.31 110.784 -178.084 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 58.1 t-80 -96.71 -45.86 6.51 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.351 -0.386 . . . . 73.32 111.198 -178.389 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 35.4 m -69.79 -35.49 65.46 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.24 0 CA-C-N 116.085 -0.507 . . . . 73.14 111.603 -174.783 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 122' ' ' CYS . . . . . . . . . . . . . 52.9 t -153.8 79.62 5.22 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 120.879 0.371 . . . . 74.53 111.522 -179.155 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 123' ' ' PRO . . . . . . . . . . . . . 96.5 Cg_endo -88.33 163.36 6.87 Favored 'Trans proline' 0 N--CA 1.456 -0.695 0 C-N-CA 122.703 2.269 . . . . 65.25 110.908 171.15 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 124' ' ' TYR . . . . . 0.443 ' O ' ' HB3' ' B' ' 125' ' ' SER . 2.1 t80 -74.22 79.57 1.8 Allowed 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 108.313 -0.995 . . . . 65.35 108.313 174.636 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 125' ' ' SER . . . . . 0.443 ' HB3' ' O ' ' B' ' 124' ' ' TYR . 47.7 t 75.87 144.11 0.08 Allowed 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 115.2 -0.909 . . . . 64.23 110.223 -171.706 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 126' ' ' ASN . . . . . . . . . . . . . 53.1 t30 -66.63 -31.53 72.28 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-O 121.894 0.854 . . . . 74.24 109.635 178.071 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 127' ' ' ALA . . . . . 0.761 ' HB3' ' HB1' ' A' ' 127' ' ' ALA . . . -70.59 6.65 1.34 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 114.865 -1.061 . . . . 74.33 112.134 -177.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 128' ' ' THR . . . . . 0.412 ' HB ' ' O ' ' B' ' 124' ' ' TYR . 5.9 t -89.8 -14.53 34.28 Favored 'General case' 0 CA--C 1.516 -0.362 0 N-CA-C 108.497 -0.927 . . . . 64.4 108.497 -175.703 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 129' ' ' ARG . . . . . 0.568 ' HB3' ' HE2' ' B' ' 119' ' ' HIS . 17.0 ptt180 -122.3 -41.83 2.39 Favored 'General case' 0 N--CA 1.445 -0.704 0 CA-C-N 114.893 -1.049 . . . . 75.21 111.117 -176.471 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 130' ' ' ASN . . . . . . . . . . . . . 13.6 m120 -73.45 -47.13 44.04 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 116.402 -0.363 . . . . 74.14 111.339 176.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 131' ' ' ASN . . . . . 0.57 ' HB3' ' O ' ' B' ' 127' ' ' ALA . 3.7 t-20 -78.15 -43.93 27.4 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 121.085 0.469 . . . . 75.43 110.531 -177.236 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 132' ' ' VAL . . . . . . . . . . . . . 24.7 t -95.09 136.33 26.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.563 -0.744 . . . . 62.31 110.331 -178.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 133' ' ' ALA . . . . . . . . . . . . . . . -77.53 90.07 3.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.358 0.599 . . . . 72.23 110.792 -179.2 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 134' ' ' VAL . . . . . 0.517 HG23 ' HB ' ' B' ' 97' ' ' VAL . 87.7 t -105.16 129.7 57.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.284 -0.871 . . . . 64.53 110.788 -178.248 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 135' ' ' ARG . . . . . 0.455 ' HB2' ' HG2' ' B' ' 98' ' ' GLU . 19.4 mmt-85 -102.98 121.3 42.25 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 108.863 -0.791 . . . . 74.32 108.863 174.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 71.4 mt -88.87 109.34 20.12 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.196 0.522 . . . . 72.41 109.915 177.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 137' ' ' VAL . . . . . 0.593 ' O ' ' HA ' ' B' ' 100' ' ' ARG . 0.2 OUTLIER -117.08 115.99 50.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.332 -0.849 . . . . 74.23 110.07 -178.058 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 138' ' ' VAL . . . . . 0.4 HG11 ' HA ' ' B' ' 112' ' ' LYS . 4.6 m -94.94 138.35 21.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 116.027 -0.533 . . . . 70.52 109.995 179.501 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 139' ' ' ALA . . . . . 0.51 ' HB3' ' HA ' ' B' ' 102' ' ' ALA . . . . . . . . 0 C--N 1.313 -0.992 0 CA-C-N 115.288 -0.869 . . . . 71.35 110.28 -174.032 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.7 ptt? . . . . . 0 N--CA 1.486 1.36 0 CA-C-O 120.593 0.235 . . . . 71.43 110.841 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 48.9 t30 -72.21 78.63 0.97 Allowed 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 121.287 0.565 . . . . 75.52 110.813 176.33 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.519 HG22 ' HB2' ' A' ' 6' ' ' LYS . 34.7 mm -72.92 135.1 28.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.769 -0.65 . . . . 51.02 112.078 176.138 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.671 ' HG ' ' HD3' ' B' ' 87' ' ' PRO . 86.5 mt -88.6 -42.93 11.73 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.497 -0.774 . . . . 74.21 110.022 173.162 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . 0.496 ' CD2' ' HB3' ' B' ' 35' ' ' GLU . 61.4 t80 -143.4 136.54 27.91 Favored 'General case' 0 C--O 1.222 -0.383 0 CA-C-N 116.443 -0.344 . . . . 73.42 110.486 178.721 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.556 ' HD3' ' HG2' ' B' ' 82' ' ' GLU . 29.7 ttmt -141.43 137.98 32.6 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.322 -0.399 . . . . 62.42 110.353 178.393 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 9.6 t -135.46 147.44 48.91 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.465 -0.789 . . . . 73.02 109.147 -178.32 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.421 ' HA ' ' HA ' ' B' ' 82' ' ' GLU . . . -111.74 156.4 21.97 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 121.616 0.722 . . . . 64.34 112.466 -171.208 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.769 ' HB3' HE21 ' B' ' 48' ' ' GLN . . . -146.34 125.26 12.74 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.163 -0.926 . . . . 73.03 109.763 174.872 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 10.7 t -106.28 129.36 54.32 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.733 -0.469 . . . . 73.43 109.733 178.381 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 22.4 t -113.21 119.3 37.27 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.25 -0.432 . . . . 74.42 110.11 179.199 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.543 ' HA ' HG22 ' B' ' 78' ' ' THR . 4.4 m -98.13 156.37 16.7 Favored 'General case' 0 C--O 1.238 0.477 0 CA-C-N 116.248 -0.433 . . . . 72.12 110.545 179.636 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -90.37 77.28 1.56 Allowed Glycine 0 N--CA 1.448 -0.552 0 N-CA-C 111.493 -0.643 . . . . 62.44 111.493 175.659 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -62.72 -109.2 0.01 OUTLIER Glycine 0 C--N 1.333 0.391 0 C-N-CA 121.039 -0.6 . . . . 62.02 112.015 176.272 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 33.1 ttm180 -88.74 -49.53 6.79 Favored 'General case' 0 C--N 1.332 -0.154 0 O-C-N 122.383 -0.481 . . . . 73.04 109.933 173.261 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -125.67 -43.5 1.87 Allowed 'General case' 0 N--CA 1.467 0.379 0 N-CA-C 109.927 -0.397 . . . . 74.22 109.927 178.105 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.507 ' O ' ' HG3' ' A' ' 29' ' ' LYS . . . -169.84 157.88 29.7 Favored Glycine 0 C--N 1.341 0.842 0 C-N-CA 120.295 -0.955 . . . . 73.12 111.447 161.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.63 ' HA ' ' HA ' ' A' ' 29' ' ' LYS . 7.0 tmm_? -143.57 120.67 11.44 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 117.316 0.558 . . . . 73.24 109.981 177.72 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.475 ' HB3' ' HB2' ' B' ' 56' ' ' ALA . . . -107.94 136.02 48.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.356 -0.384 . . . . 71.12 110.616 -177.179 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 30.0 m -140.66 113.68 8.39 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.318 -0.401 . . . . 65.23 110.708 -179.679 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.512 ' HB3' ' N ' ' A' ' 26' ' ' LEU . 44.2 t -70.2 109.9 4.9 Favored 'General case' 0 C--O 1.246 0.904 0 N-CA-C 107.965 -1.124 . . . . 62.3 107.965 175.153 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.456 ' C ' ' H ' ' A' ' 24' ' ' GLN . 40.9 t-80 -57.01 -23.76 48.6 Favored 'General case' 0 N--CA 1.471 0.621 0 O-C-N 126.121 2.138 . . . . 71.44 112.679 -166.873 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.463 ' CB ' ' HE3' ' A' ' 25' ' ' LYS . 3.2 m-20 -80.0 16.49 1.19 Allowed 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.353 0.597 . . . . 73.43 109.698 178.789 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.456 ' H ' ' C ' ' A' ' 22' ' ' HIS . 27.1 mm-40 68.69 18.53 8.73 Favored 'General case' 0 CA--C 1.517 -0.295 0 CA-C-N 114.555 -1.202 . . . . 72.53 109.41 177.466 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.481 ' HB2' ' OG ' ' A' ' 21' ' ' SER . 97.6 mttt -76.47 -29.87 57.08 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-N 114.713 -1.131 . . . . 73.44 110.411 179.561 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.512 ' N ' ' HB3' ' A' ' 21' ' ' SER . 47.8 tp -153.43 148.89 27.18 Favored 'General case' 0 CA--C 1.51 -0.586 0 C-N-CA 119.699 -0.8 . . . . 74.42 112.151 -176.523 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -158.16 90.86 1.07 Allowed 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 114.94 -1.027 . . . . 74.5 110.29 -179.006 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.489 ' O ' ' HG2' ' A' ' 18' ' ' ARG . 6.6 m -145.21 176.92 1.85 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.569 0 CA-C-O 121.366 0.603 . . . . 62.12 111.692 179.687 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.63 ' HA ' ' HA ' ' A' ' 18' ' ' ARG . 30.6 tttm -124.89 143.87 50.62 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.218 -0.901 . . . . 62.42 110.381 -177.61 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.61 ' HA ' ' H ' ' A' ' 44' ' ' THR . 0.0 OUTLIER -125.37 167.08 15.44 Favored 'General case' 0 C--O 1.259 1.596 0 CA-C-O 121.178 0.513 . . . . 73.21 111.039 176.421 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.5 m -148.11 147.71 29.81 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 114.706 -1.133 . . . . 75.34 110.422 -173.605 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -78.08 137.02 61.25 Favored Pre-proline 0 C--O 1.241 0.644 0 CA-C-N 116.537 -0.302 . . . . 52.21 110.692 176.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 28.2 Cg_endo -61.97 115.66 2.97 Favored 'Trans proline' 0 C--N 1.35 0.637 0 C-N-CA 122.769 2.313 . . . . 73.33 112.021 -177.069 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.601 ' HB2' ' N ' ' A' ' 40' ' ' GLY . 68.5 ttt-85 -81.97 55.17 2.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.371 0.605 . . . . 64.52 111.089 -176.709 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 71.3 mm-40 -117.62 -22.03 8.27 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.617 -0.72 . . . . 75.14 109.573 173.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 52.6 mt -122.33 11.47 10.04 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 115.512 -0.767 . . . . 73.53 110.479 -175.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 106.67 65.74 0.63 Allowed Glycine 0 C--N 1.331 0.3 0 CA-C-N 116.0 -0.545 . . . . 72.22 112.217 -178.236 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -132.73 -137.94 4.01 Favored Glycine 0 C--N 1.335 0.511 0 N-CA-C 111.491 -0.643 . . . . 73.44 111.491 179.037 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -123.73 -27.22 4.01 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 111.514 0.191 . . . . 63.22 111.514 -177.169 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.601 ' N ' ' HB2' ' A' ' 34' ' ' ARG . . . 48.31 40.21 22.21 Favored Glycine 0 C--N 1.336 0.578 0 C-N-CA 121.519 -0.372 . . . . 45.53 112.85 -177.795 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -82.48 175.28 10.34 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.531 0.205 . . . . 51.12 110.958 -178.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -65.12 82.77 0.04 OUTLIER 'General case' 0 CA--C 1.533 0.322 0 CA-C-O 121.798 0.809 . . . . 71.23 110.007 175.164 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -164.64 -174.66 34.63 Favored Glycine 0 N--CA 1.449 -0.463 0 CA-C-N 115.327 -0.851 . . . . 55.55 111.754 174.274 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.61 ' H ' ' HA ' ' A' ' 30' ' ' LEU . 20.9 p -104.16 154.54 19.63 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 110.192 -0.299 . . . . 74.01 110.192 -178.235 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.583 ' HB2' ' HB3' ' A' ' 48' ' ' GLN . 85.6 m-20 -74.94 123.68 89.09 Favored Pre-proline 0 C--N 1.327 -0.37 0 N-CA-C 109.035 -0.728 . . . . 72.33 109.035 176.839 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_exo -50.07 -45.92 30.69 Favored 'Trans proline' 0 C--N 1.349 0.592 0 C-N-CA 122.711 2.274 . . . . 63.04 112.336 -178.162 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 8.7 mp0 -64.05 -37.3 86.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.557 -0.747 . . . . 62.13 110.069 -179.629 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.583 ' HB3' ' HB2' ' A' ' 45' ' ' ASN . 7.0 tm0? -68.53 -33.42 74.08 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 115.66 -0.7 . . . . 74.41 110.305 176.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.453 HD12 ' HA3' ' B' ' 53' ' ' GLY . 1.7 tm? -66.28 -47.5 73.45 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.423 -0.584 . . . . 71.11 109.423 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 36.7 t80 -62.88 -46.63 86.93 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.334 -0.394 . . . . 65.21 110.673 176.699 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.6 -52.09 66.17 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 116.593 -0.276 . . . . 52.03 111.133 178.02 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.1 -46.17 90.23 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-O 120.952 0.406 . . . . 73.32 110.858 -179.062 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.497 ' HA3' HD12 ' B' ' 49' ' ' LEU . . . -62.41 -44.97 96.87 Favored Glycine 0 N--CA 1.449 -0.438 0 CA-C-N 115.698 -0.683 . . . . 45.35 112.202 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.879 ' HA ' ' SG ' ' A' ' 57' ' ' CYS . 5.9 t80 -69.82 -34.5 73.75 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.852 0.358 . . . . 74.55 110.351 -179.529 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.516 ' HB2' ' HB2' ' A' ' 81' ' ' ALA . 8.6 t -62.32 -50.57 71.11 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.507 -0.553 . . . . 73.1 109.507 178.176 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.562 ' HB2' ' HB2' ' B' ' 19' ' ' ALA . . . -70.38 -40.33 74.04 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.879 -0.601 . . . . 72.41 111.297 -178.462 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.879 ' SG ' ' HA ' ' A' ' 54' ' ' TYR . 15.7 p -64.03 -35.94 82.36 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.688 -0.486 . . . . 74.4 109.688 179.226 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 23.0 t80 -52.58 -34.88 52.64 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 116.223 -0.444 . . . . 74.24 110.413 178.37 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -64.63 -42.37 95.52 Favored 'General case' 0 N--CA 1.465 0.29 0 N-CA-C 109.82 -0.437 . . . . 74.12 109.82 174.745 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.437 ' O ' ' HB3' ' A' ' 63' ' ' LYS . 27.4 t -66.45 -35.43 80.27 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-O 121.223 0.535 . . . . 74.4 110.154 178.688 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.4 ' O ' HG23 ' A' ' 65' ' ' VAL . . . -67.5 -43.25 81.36 Favored 'General case' 0 C--O 1.221 -0.429 0 CA-C-N 115.953 -0.567 . . . . 64.15 109.941 177.748 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -65.22 -36.28 83.66 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.187 0.518 . . . . 61.32 109.993 175.133 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.437 ' HB3' ' O ' ' A' ' 60' ' ' SER . 11.8 tptm -56.22 -49.99 72.56 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.057 -0.974 . . . . 62.32 109.959 177.63 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.425 ' CZ ' ' HE1' ' B' ' 93' ' ' PHE . 63.4 t80 -75.81 -48.45 21.59 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 115.465 -0.789 . . . . 70.35 111.705 -178.542 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.433 ' HA ' ' HG2' ' A' ' 68' ' ' GLN . 42.9 t -55.32 -40.45 56.94 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.31 0 CA-C-N 116.429 -0.35 . . . . 51.41 110.89 -178.031 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.49 ' HB2' ' O ' ' A' ' 71' ' ' GLN . . . -54.45 -33.71 60.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.171 0.51 . . . . 55.45 110.333 176.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -71.95 -31.97 63.97 Favored Glycine 0 C--N 1.33 0.202 0 CA-C-N 115.552 -0.749 . . . . 65.01 112.528 -177.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.433 ' HG2' ' HA ' ' A' ' 65' ' ' VAL . 14.1 pt20 -92.81 -11.88 32.58 Favored 'General case' 0 CA--C 1.52 -0.187 0 N-CA-C 108.949 -0.76 . . . . 73.33 108.949 179.088 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.422 ' HB3' ' HG2' ' A' ' 71' ' ' GLN . 0.9 OUTLIER -94.67 -5.17 46.19 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 114.857 -1.065 . . . . 73.35 110.544 175.402 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 11.0 mptt 58.73 29.48 18.71 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-O 121.61 0.719 . . . . 70.5 111.189 178.042 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.49 ' O ' ' HB2' ' A' ' 66' ' ' ALA . 2.8 pt20 -124.37 159.08 31.15 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 114.76 -1.109 . . . . 65.11 109.501 175.857 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 4.5 p -125.35 128.14 47.71 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.935 0.398 . . . . 71.13 110.476 177.79 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -109.23 145.54 32.01 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 115.938 -0.574 . . . . 64.52 110.51 179.851 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_exo -57.28 130.49 39.63 Favored 'Trans proline' 0 C--N 1.35 0.607 0 C-N-CA 122.73 2.287 . . . . 75.32 112.487 -179.441 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -77.02 -1.29 28.08 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 121.368 0.604 . . . . 74.43 110.901 178.084 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -85.55 17.95 3.01 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.284 -0.871 . . . . 72.44 110.393 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.514 ' HB ' HD11 ' A' ' 103' ' ' LEU . 5.8 t -91.7 159.26 15.94 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.559 -0.746 . . . . 74.0 112.11 -174.41 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 56.4 m -143.1 149.39 38.07 Favored 'General case' 0 CA--C 1.529 0.164 0 CA-C-N 115.62 -0.718 . . . . 72.13 110.355 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 92.6 t -134.15 132.91 55.92 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 115.512 -0.767 . . . . 73.54 109.006 177.341 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 87.8 m -114.13 115.95 28.34 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.677 0.275 . . . . 61.0 110.491 178.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.516 ' HB2' ' HB2' ' A' ' 55' ' ' SER . . . -93.25 105.18 17.29 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.299 -0.63 . . . . 75.0 109.299 175.036 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.537 ' HG2' ' HD3' ' B' ' 6' ' ' LYS . 24.6 tt0 -101.83 107.44 18.62 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.521 -0.918 . . . . 75.53 108.521 176.731 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.488 HG23 HG22 ' A' ' 97' ' ' VAL . 7.5 p -103.6 131.25 52.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.873 -0.603 . . . . 74.25 111.048 -172.649 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -122.48 160.86 16.86 Favored Glycine 0 N--CA 1.446 -0.696 0 CA-C-N 115.78 -0.645 . . . . 64.22 111.813 178.466 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -137.88 130.2 40.49 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 N-CA-C 108.785 -0.82 . . . . 71.32 108.785 178.67 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . 0.424 ' HA2' ' HG ' ' B' ' 4' ' ' LEU . . . -146.49 169.93 27.63 Favored Glycine 0 CA--C 1.517 0.186 0 O-C-N 123.985 0.803 . . . . 64.2 111.496 -176.329 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . 0.674 ' HD3' ' HG ' ' B' ' 4' ' ' LEU . 7.2 Cg_exo -70.95 119.9 6.65 Favored 'Trans proline' 0 N--CA 1.462 -0.338 0 C-N-CA 122.665 2.244 . . . . 75.13 111.659 -176.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 52.8 t-20 -72.98 142.67 47.76 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.235 -0.654 . . . . 63.43 109.235 177.519 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -66.02 -13.34 59.74 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-O 121.173 0.511 . . . . 74.31 110.837 -179.763 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -71.74 -20.1 61.94 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 115.504 -0.771 . . . . 62.35 110.451 173.484 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.47 23.51 7.93 Favored Glycine 0 CA--C 1.518 0.233 0 CA-C-N 115.757 -0.656 . . . . 52.42 112.65 179.697 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -131.92 -140.78 4.59 Favored Glycine 0 N--CA 1.453 -0.21 0 N-CA-C 111.611 -0.596 . . . . 74.12 111.611 177.448 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -116.55 146.96 42.26 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.797 0.332 . . . . 72.25 110.15 178.283 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -132.15 133.02 43.77 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.934 -0.576 . . . . 73.43 110.188 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -96.06 124.32 40.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.941 -0.572 . . . . 75.45 110.08 178.576 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.419 ' HB3' HD13 ' B' ' 3' ' ' ILE . 10.2 t70 -117.78 110.33 17.67 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 108.745 -0.835 . . . . 62.1 108.745 -179.509 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.488 HG22 HG23 ' A' ' 83' ' ' VAL . 46.6 t -108.39 110.92 33.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.695 0.283 . . . . 41.42 111.192 -172.482 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.436 ' HA ' ' HB2' ' A' ' 135' ' ' ARG . 42.3 mt-10 -88.07 104.33 16.57 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.753 -0.462 . . . . 52.25 109.753 175.562 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 11.6 tp -94.28 107.09 19.06 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.168 -0.678 . . . . 73.33 109.168 -178.791 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.529 ' HA ' HG11 ' A' ' 137' ' ' VAL . 59.2 ttt180 -99.43 111.43 23.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.539 -0.755 . . . . 73.43 110.076 -172.236 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 46.7 t -106.13 115.46 47.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.423 0.154 . . . . 72.23 111.192 -171.325 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -112.08 101.46 9.73 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-O 120.823 0.344 . . . . 73.1 110.163 176.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.813 HD23 HD21 ' A' ' 106' ' ' LEU . 38.9 tp -111.09 115.01 53.27 Favored Pre-proline 0 CA--C 1.53 0.205 0 N-CA-C 108.688 -0.856 . . . . 73.31 108.688 178.515 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . 0.529 ' HD2' HD11 ' A' ' 103' ' ' LEU . 56.6 Cg_endo -70.41 148.63 61.27 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.598 2.199 . . . . 73.52 112.35 -174.63 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 73.08 15.21 78.62 Favored Glycine 0 N--CA 1.451 -0.307 0 CA-C-N 115.629 -0.714 . . . . 54.45 112.273 -178.301 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.813 HD21 HD23 ' A' ' 103' ' ' LEU . 24.7 tp -125.52 141.16 52.19 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-O 120.947 0.403 . . . . 65.03 111.156 -177.219 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -82.19 141.99 32.57 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.681 -0.69 . . . . 72.42 110.318 174.39 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . 0.499 ' O ' ' HG2' ' A' ' 112' ' ' LYS . . . -59.29 -34.91 72.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.852 0.358 . . . . 74.35 110.785 177.837 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -58.01 -46.64 84.94 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 115.823 -0.626 . . . . 64.13 110.813 179.593 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . 0.466 ' O ' HG22 ' A' ' 113' ' ' THR . . . -75.96 -35.86 59.51 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-O 121.25 0.548 . . . . 73.25 109.922 177.695 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -56.27 -32.81 64.88 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.518 -0.765 . . . . 54.13 110.679 178.762 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . 0.499 ' HG2' ' O ' ' A' ' 108' ' ' ALA . 32.0 mmtp -51.13 -48.96 61.65 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 115.803 -0.635 . . . . 74.23 110.796 176.624 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' THR . . . . . 0.466 HG22 ' O ' ' A' ' 110' ' ' ALA . 1.9 t -81.99 -36.1 28.22 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.051 -0.522 . . . . 74.22 110.899 -175.273 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.403 ' HG ' ' O ' ' A' ' 110' ' ' ALA . 40.5 mt -61.53 -48.73 79.68 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 116.364 -0.38 . . . . 61.01 110.793 -179.454 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 67.6 t -67.16 -33.4 62.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.314 -0.403 . . . . 72.22 110.133 177.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -61.05 -58.03 10.1 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-N 115.873 -0.603 . . . . 65.51 110.901 178.174 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . 0.465 ' HG2' ' O ' ' A' ' 113' ' ' THR . 15.0 ptm180 -64.36 -39.09 93.18 Favored 'General case' 0 C--O 1.227 -0.1 0 CA-C-N 115.659 -0.701 . . . . 65.24 110.545 -177.45 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -58.34 -50.93 71.87 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.17 0.51 . . . . 63.41 110.315 176.776 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . 0.432 ' CD2' ' HB3' ' A' ' 129' ' ' ARG . 64.5 t60 -79.42 8.65 5.85 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 115.639 -0.71 . . . . 74.13 110.239 179.713 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 3.9 t-160 -108.71 -43.57 4.23 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 116.195 -0.457 . . . . 75.14 110.734 177.289 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 28.6 m -89.31 -21.03 6.94 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.391 0 CA-C-N 116.378 -0.374 . . . . 74.54 111.824 -173.62 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' CYS . . . . . 0.46 ' N ' ' HD3' ' A' ' 123' ' ' PRO . 52.6 t -138.45 60.45 20.92 Favored Pre-proline 0 C--O 1.236 0.353 0 CA-C-O 120.841 0.353 . . . . 72.12 110.636 178.873 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . 0.46 ' HD3' ' N ' ' A' ' 122' ' ' CYS . 50.5 Cg_endo -98.12 153.96 0.83 Allowed 'Trans proline' 0 N--CA 1.453 -0.871 0 C-N-CA 123.109 2.539 . . . . 75.04 112.553 178.603 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . 0.544 ' O ' ' HB ' ' A' ' 128' ' ' THR . 2.5 m-85 -73.8 73.09 1.57 Allowed 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 108.768 -0.826 . . . . 65.44 108.768 171.826 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' SER . . . . . 0.462 ' HB3' ' O ' ' A' ' 124' ' ' TYR . 48.4 t 77.42 149.16 0.1 Allowed 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 115.074 -0.966 . . . . 65.33 110.127 -171.02 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 52.6 t-20 -61.94 -31.46 71.79 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 122.019 0.914 . . . . 73.42 108.675 176.248 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . 0.458 ' O ' HG23 ' A' ' 132' ' ' VAL . . . -66.24 3.26 0.93 Allowed 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 114.88 -1.054 . . . . 54.1 112.434 -179.196 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' THR . . . . . 0.544 ' HB ' ' O ' ' A' ' 124' ' ' TYR . 2.9 t -93.84 4.34 54.07 Favored 'General case' 0 CA--C 1.519 -0.217 0 CA-C-O 122.146 0.974 . . . . 73.21 108.743 -173.814 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . 0.432 ' HB3' ' CD2' ' A' ' 119' ' ' HIS . 13.6 ptm180 -136.73 -46.5 0.6 Allowed 'General case' 0 N--CA 1.444 -0.739 0 CA-C-N 114.594 -1.184 . . . . 72.04 110.45 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 53.3 m-80 -78.57 -42.53 28.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.497 -0.32 . . . . 71.52 111.766 178.802 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -91.46 -39.02 12.2 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-O 120.899 0.381 . . . . 72.12 110.297 -176.08 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . 0.458 HG23 ' O ' ' A' ' 127' ' ' ALA . 90.4 t -98.89 126.25 52.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 70.22 109.886 -178.69 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -74.95 96.43 3.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.342 0.591 . . . . 45.42 111.399 -176.356 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 57.6 t -115.95 109.29 27.65 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.535 0 CA-C-N 115.392 -0.822 . . . . 75.02 109.973 175.384 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . 0.436 ' HB2' ' HA ' ' A' ' 98' ' ' GLU . 20.4 mmt180 -72.77 98.59 2.44 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.899 -0.592 . . . . 74.34 109.621 178.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . 0.416 HD23 ' HA ' ' A' ' 136' ' ' LEU . 49.0 mt -74.86 100.28 4.03 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.551 0.691 . . . . 50.04 109.919 175.717 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . 0.529 HG11 ' HA ' ' A' ' 100' ' ' ARG . 0.2 OUTLIER -109.59 111.66 37.12 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 CA-C-N 114.729 -1.123 . . . . 74.42 109.621 -179.022 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 4.1 m -96.65 138.85 20.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 115.564 -0.744 . . . . 71.15 110.097 -176.543 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.312 -1.04 0 CA-C-N 115.217 -0.901 . . . . 73.13 110.56 -175.858 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 16.8 ptt? . . . . . 0 CA--C 1.532 0.281 0 CA-C-O 120.537 0.208 . . . . 72.42 110.504 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 50.0 t30 -72.08 74.98 0.94 Allowed 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 121.281 0.562 . . . . 61.35 110.739 176.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . 0.52 HG21 ' HB2' ' B' ' 6' ' ' LYS . 30.8 mm -74.03 135.23 27.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.657 -0.701 . . . . 72.42 111.651 175.702 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . 0.674 ' HG ' ' HD3' ' A' ' 87' ' ' PRO . 84.4 mt -95.47 -46.1 6.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.76 -0.654 . . . . 75.25 110.11 174.419 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 5' ' ' TYR . . . . . . . . . . . . . 24.5 t80 -132.05 130.34 41.2 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.961 -0.563 . . . . 75.45 109.491 -178.377 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . 0.537 ' HD3' ' HG2' ' A' ' 82' ' ' GLU . 38.6 ttmt -137.37 135.51 37.06 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.035 0.445 . . . . 65.01 111.134 177.756 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 5.3 t -134.99 142.27 46.42 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.601 -0.727 . . . . 73.02 109.279 178.327 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . 0.531 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . . . -109.18 152.93 24.48 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.946 0.403 . . . . 64.22 111.259 -174.28 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . 0.494 ' HA ' ' H ' ' B' ' 22' ' ' HIS . . . -139.17 116.93 11.5 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.053 -0.521 . . . . 71.2 110.446 175.154 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 27.4 m -95.05 124.41 39.08 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.783 -0.644 . . . . 64.31 110.132 -179.323 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 11' ' ' SER . . . . . 0.533 ' HA ' ' O ' ' B' ' 18' ' ' ARG . 57.4 p -131.35 115.77 16.69 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.596 0.236 . . . . 74.14 111.563 -177.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 11.3 m -94.54 158.32 15.59 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.926 -0.398 . . . . 73.24 109.926 176.196 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -89.24 59.61 3.81 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.897 -0.668 . . . . 71.12 111.771 177.356 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -47.35 -88.38 0.01 OUTLIER Glycine 0 C--N 1.342 0.893 0 O-C-N 123.905 0.415 . . . . 73.4 112.918 -177.771 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 10.1 tpp180 -88.96 -56.27 3.35 Favored 'General case' 0 C--O 1.238 0.5 0 N-CA-C 109.0 -0.741 . . . . 65.14 109.0 171.617 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 16' ' ' ASP . . . . . 0.536 ' HB3' ' HA ' ' B' ' 31' ' ' SER . 27.1 t70 -127.08 -43.38 1.66 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.305 -0.407 . . . . 65.33 110.431 169.034 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -161.05 148.03 15.43 Favored Glycine 0 C--N 1.344 0.975 0 C-N-CA 120.383 -0.913 . . . . 74.22 111.78 169.501 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 18' ' ' ARG . . . . . 0.546 ' HA ' ' HA ' ' B' ' 29' ' ' LYS . 0.7 OUTLIER -138.32 106.65 5.8 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 108.634 -0.876 . . . . 74.4 108.634 179.027 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 19' ' ' ALA . . . . . 0.562 ' HB2' ' HB2' ' A' ' 56' ' ' ALA . . . -103.81 123.83 47.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.052 0.453 . . . . 64.31 111.117 -173.399 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 24.3 m -125.31 112.57 16.51 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.706 -0.679 . . . . 75.11 109.816 177.015 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 21' ' ' SER . . . . . 0.53 ' HB3' ' N ' ' B' ' 26' ' ' LEU . 48.0 t -64.67 108.61 1.76 Allowed 'General case' 0 C--O 1.246 0.915 0 N-CA-C 107.071 -1.455 . . . . 74.21 107.071 175.343 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 22' ' ' HIS . . . . . 0.494 ' H ' ' HA ' ' B' ' 9' ' ' ALA . 15.4 t60 -53.85 -22.82 10.61 Favored 'General case' 0 C--N 1.346 0.433 0 O-C-N 126.622 2.451 . . . . 73.12 112.57 -164.683 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . 0.506 ' HB2' ' HG2' ' B' ' 25' ' ' LYS . 3.8 m-20 -80.57 19.33 0.82 Allowed 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 110.096 -0.335 . . . . 63.54 110.096 176.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . 0.435 ' H ' ' C ' ' B' ' 22' ' ' HIS . 87.9 mm-40 55.96 28.29 12.46 Favored 'General case' 0 CA--C 1.516 -0.34 0 CA-C-O 121.825 0.821 . . . . 71.43 110.189 -176.264 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.506 ' HG2' ' HB2' ' B' ' 23' ' ' ASP . 9.6 mmpt? -83.28 -27.47 29.82 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 114.573 -1.194 . . . . 41.25 109.497 175.817 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . 0.53 ' N ' ' HB3' ' B' ' 21' ' ' SER . 44.3 tp -150.69 147.01 26.83 Favored 'General case' 0 C--O 1.223 -0.306 0 C-N-CA 119.705 -0.798 . . . . 73.34 111.426 -178.358 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 65.8 t0 -152.04 99.64 2.56 Favored 'General case' 0 CA--C 1.532 0.253 0 O-C-N 123.471 0.482 . . . . 53.33 109.887 172.774 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 3.4 m -144.11 178.18 1.85 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.512 0 CA-C-N 115.533 -0.758 . . . . 74.12 111.657 179.016 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.806 ' HZ1' ' HB3' ' B' ' 29' ' ' LYS . 0.0 OUTLIER -135.15 145.68 48.04 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.279 -0.873 . . . . 74.12 110.193 179.598 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . 0.676 ' HA ' ' H ' ' B' ' 44' ' ' THR . 0.0 OUTLIER -131.6 160.53 35.08 Favored 'General case' 0 C--O 1.252 1.233 0 CA-C-O 121.006 0.432 . . . . 72.32 110.437 175.788 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 31' ' ' SER . . . . . 0.536 ' HA ' ' HB3' ' B' ' 16' ' ' ASP . 39.6 m -162.4 137.92 7.23 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 115.423 -0.808 . . . . 62.35 110.901 -176.779 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -72.96 115.02 36.06 Favored Pre-proline 0 C--O 1.237 0.432 0 CA-C-N 115.942 -0.572 . . . . 75.13 109.629 171.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 33' ' ' PRO . . . . . 0.701 ' HG2' ' HG3' ' B' ' 35' ' ' GLU . 36.6 Cg_endo -65.81 -159.54 0.04 OUTLIER 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.394 2.063 . . . . 72.21 111.535 178.88 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -110.24 48.24 0.91 Allowed 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.734 0.778 . . . . 71.43 109.102 178.576 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . 0.701 ' HG3' ' HG2' ' B' ' 33' ' ' PRO . 0.1 OUTLIER -48.27 -68.57 0.17 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 114.167 -1.378 . . . . 72.42 110.07 178.345 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . 0.464 HD23 ' HB2' ' B' ' 35' ' ' GLU . 2.4 mm? -114.39 -32.9 5.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.141 -0.936 . . . . 63.52 109.08 174.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 173.09 46.66 0.05 OUTLIER Glycine 0 N--CA 1.448 -0.526 0 CA-C-N 115.757 -0.656 . . . . 51.22 112.495 -179.442 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -79.65 -122.67 0.4 Allowed Glycine 0 C--N 1.334 0.435 0 C-N-CA 120.859 -0.686 . . . . 64.12 111.668 177.411 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -108.52 -37.82 5.84 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.178 0.513 . . . . 71.25 110.539 179.803 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 86.49 78.37 1.22 Allowed Glycine 0 N--CA 1.451 -0.334 0 CA-C-N 115.655 -0.702 . . . . 53.13 111.757 -179.168 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . 0.403 ' H ' ' HA ' ' B' ' 33' ' ' PRO . . . -146.46 168.95 19.92 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.658 0.266 . . . . 75.21 110.958 -174.578 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -88.05 10.12 20.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.907 -0.588 . . . . 74.14 111.358 -176.371 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -77.55 -172.96 39.11 Favored Glycine 0 C--O 1.236 0.249 0 C-N-CA 121.189 -0.529 . . . . 72.12 113.02 -176.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 44' ' ' THR . . . . . 0.676 ' H ' ' HA ' ' B' ' 30' ' ' LEU . 29.3 m -98.01 147.3 24.65 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 110.158 -0.312 . . . . 70.51 110.158 -179.629 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 45' ' ' ASN . . . . . 0.414 ' HB3' ' OE1' ' B' ' 47' ' ' GLU . 10.6 m120 -65.7 125.38 89.66 Favored Pre-proline 0 CA--C 1.533 0.302 0 CA-C-N 116.404 -0.362 . . . . 71.14 110.716 179.177 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 46' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -55.19 -54.52 4.23 Favored 'Trans proline' 0 C--N 1.352 0.761 0 C-N-CA 122.999 2.466 . . . . 54.41 112.749 178.137 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 47' ' ' GLU . . . . . 0.414 ' OE1' ' HB3' ' B' ' 45' ' ' ASN . 0.0 OUTLIER -62.64 -38.85 91.89 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 116.265 -0.425 . . . . 73.03 110.399 -179.528 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . 0.769 HE21 ' HB3' ' A' ' 9' ' ' ALA . 22.0 tm0? -61.1 -43.2 99.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.101 -0.5 . . . . 65.22 110.074 176.318 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 49' ' ' LEU . . . . . 0.497 HD12 ' HA3' ' A' ' 53' ' ' GLY . 2.1 tm? -59.38 -48.38 81.85 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.457 -0.571 . . . . 73.15 109.457 -178.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 16.5 t80 -57.57 -46.54 83.84 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 115.926 -0.579 . . . . 74.53 110.748 176.184 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.97 -50.19 75.03 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.263 -0.426 . . . . 63.22 111.104 -179.524 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.85 -44.53 96.87 Favored 'General case' 0 C--O 1.237 0.423 0 CA-C-N 116.099 -0.5 . . . . 74.31 111.076 -179.216 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . 0.453 ' HA3' HD12 ' A' ' 49' ' ' LEU . . . -65.73 -33.94 87.42 Favored Glycine 0 C--N 1.33 0.247 0 CA-C-N 115.93 -0.577 . . . . 73.22 111.947 177.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -68.64 -47.56 66.27 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 110.073 -0.343 . . . . 73.43 110.073 179.188 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 55' ' ' SER . . . . . 0.556 ' HB3' ' HB1' ' B' ' 81' ' ' ALA . 19.0 p -62.71 -43.68 98.18 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.355 -0.384 . . . . 71.55 110.269 178.638 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 56' ' ' ALA . . . . . 0.475 ' HB2' ' HB3' ' A' ' 19' ' ' ALA . . . -65.41 -39.83 92.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 72.32 110.512 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 57' ' ' CYS . . . . . . . . . . . . . 43.9 t -62.32 -36.71 83.0 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.915 -0.584 . . . . 72.4 109.756 176.562 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -59.54 -40.76 88.29 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-N 115.683 -0.689 . . . . 61.11 110.385 179.545 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . 0.459 ' O ' ' HG2' ' B' ' 63' ' ' LYS . 4.4 mm? -61.35 -63.43 1.29 Allowed 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 116.304 -0.407 . . . . 73.31 110.598 177.274 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 23.3 m -54.18 -41.14 68.21 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-N 116.226 -0.443 . . . . 73.23 110.95 -178.434 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -59.04 -48.4 81.72 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.956 -0.565 . . . . 44.1 110.45 178.063 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 62' ' ' MET . . . . . 0.402 ' HE2' ' HA ' ' B' ' 62' ' ' MET . 0.2 OUTLIER -62.76 -35.47 79.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.339 -0.391 . . . . 71.0 111.184 179.846 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . 0.459 ' HG2' ' O ' ' B' ' 59' ' ' LEU . 10.2 mmpt? -62.75 -50.34 71.45 Favored 'General case' 0 N--CA 1.464 0.249 0 N-CA-C 109.809 -0.441 . . . . 72.03 109.809 178.548 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 84.3 t80 -64.19 -52.82 57.06 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 115.689 -0.687 . . . . 73.11 111.051 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 54.8 t -55.4 -47.61 77.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.933 -0.576 . . . . 75.05 111.138 -178.017 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -55.21 -35.07 64.49 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.315 0.578 . . . . 74.13 110.272 178.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -68.89 -29.72 72.5 Favored Glycine 0 N--CA 1.452 -0.235 0 CA-C-N 115.124 -0.944 . . . . 75.04 112.503 -175.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -99.09 -13.38 19.85 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.94 0.4 . . . . 64.5 109.999 179.304 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -88.81 -1.82 58.28 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 115.589 -0.732 . . . . 65.21 110.857 179.275 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 2.2 mptp? 64.97 34.62 8.81 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-O 121.251 0.548 . . . . 73.12 110.761 179.426 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -135.25 162.55 32.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.634 -0.712 . . . . 74.24 110.001 178.707 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 2.6 p -125.0 128.18 48.17 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.017 0.437 . . . . 74.12 110.923 178.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 72.0 mt -109.41 137.9 20.4 Favored Pre-proline 0 C--N 1.327 -0.402 0 CA-C-N 115.712 -0.677 . . . . 75.15 109.598 177.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 74' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -55.82 151.53 39.99 Favored 'Trans proline' 0 C--N 1.349 0.556 0 C-N-CA 123.298 2.665 . . . . 74.32 113.761 -172.832 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -77.7 -31.15 52.21 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.468 0.651 . . . . 71.53 110.991 173.079 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -80.95 21.96 0.65 Allowed 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 115.326 -0.852 . . . . 60.22 111.644 -172.55 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 77' ' ' THR . . . . . . . . . . . . . 6.2 t -93.3 156.94 16.5 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.303 -0.408 . . . . 73.25 110.997 -178.649 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 78' ' ' THR . . . . . 0.543 HG22 ' HA ' ' A' ' 12' ' ' THR . 2.2 p -139.07 150.79 46.14 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.886 -0.597 . . . . 71.23 111.112 -179.494 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 79' ' ' VAL . . . . . 0.453 ' HA ' ' O ' ' B' ' 100' ' ' ARG . 62.5 t -133.2 115.59 23.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 115.613 -0.721 . . . . 54.24 109.426 174.843 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 25.4 m -102.6 110.67 22.68 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.041 -0.527 . . . . 75.2 110.894 -177.296 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 81' ' ' ALA . . . . . 0.556 ' HB1' ' HB3' ' B' ' 55' ' ' SER . . . -93.38 111.57 23.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.994 -0.548 . . . . 73.43 109.664 176.438 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 82' ' ' GLU . . . . . 0.556 ' HG2' ' HD3' ' A' ' 6' ' ' LYS . 26.2 tt0 -111.83 107.67 16.79 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 108.769 -0.826 . . . . 71.23 108.769 178.745 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . 0.411 ' O ' ' HG3' ' A' ' 6' ' ' LYS . 10.5 p -108.57 141.1 24.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 71.44 111.103 -170.728 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 84' ' ' GLY . . . . . 0.402 ' HA2' ' HA ' ' A' ' 6' ' ' LYS . . . -138.08 168.23 24.65 Favored Glycine 0 N--CA 1.443 -0.896 0 C-N-CA 121.027 -0.606 . . . . 52.45 112.433 179.563 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -137.34 132.49 45.92 Favored 'Isoleucine or valine' 0 C--O 1.244 0.804 0 N-CA-C 108.674 -0.861 . . . . 73.1 108.674 -178.266 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 86' ' ' GLY . . . . . 0.478 ' HA2' ' HG ' ' A' ' 4' ' ' LEU . . . -148.76 169.82 29.24 Favored Glycine 0 C--N 1.33 0.202 0 O-C-N 124.238 0.961 . . . . 52.3 111.443 -178.069 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 87' ' ' PRO . . . . . 0.671 ' HD3' ' HG ' ' A' ' 4' ' ' LEU . 1.9 Cg_endo -80.76 121.23 4.06 Favored 'Trans proline' 0 N--CA 1.457 -0.668 0 C-N-CA 122.722 2.281 . . . . 70.05 112.311 -177.478 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 88' ' ' ASN . . . . . . . . . . . . . 53.7 t-20 -70.74 138.75 50.77 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 108.892 -0.781 . . . . 72.3 108.892 175.192 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -60.21 -20.09 57.21 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.076 0.465 . . . . 71.21 111.178 -178.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -69.09 -18.9 64.04 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 115.753 -0.658 . . . . 74.05 111.221 177.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.47 35.12 3.41 Favored Glycine 0 C--N 1.324 -0.103 0 CA-C-N 115.891 -0.595 . . . . 72.2 112.442 179.371 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . -141.86 -157.13 7.05 Favored Glycine 0 N--CA 1.451 -0.325 0 N-CA-C 110.79 -0.924 . . . . 70.13 110.79 176.394 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 93' ' ' PHE . . . . . 0.425 ' HE1' ' CZ ' ' A' ' 64' ' ' PHE . 67.6 m-85 -108.16 159.56 16.5 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 117.203 0.502 . . . . 73.12 110.123 176.894 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -144.66 141.54 29.43 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.108 -0.496 . . . . 62.21 110.166 -179.522 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -101.74 138.49 38.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.8 -0.637 . . . . 74.21 110.229 179.11 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 96' ' ' ASP . . . . . 0.456 ' HB3' HD12 ' A' ' 3' ' ' ILE . 34.7 t70 -138.6 110.8 7.36 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.323 -0.853 . . . . 73.53 109.704 -174.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 97' ' ' VAL . . . . . 0.568 HG11 HG13 ' B' ' 134' ' ' VAL . 3.9 p -128.21 128.9 69.1 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.902 0 CA-C-O 121.378 0.608 . . . . 65.34 112.076 -174.78 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 98' ' ' GLU . . . . . 0.426 ' HG3' ' HB3' ' B' ' 135' ' ' ARG . 1.5 mp0 -95.85 122.7 38.93 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.252 -0.885 . . . . 74.42 109.573 175.607 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 99' ' ' LEU . . . . . 0.472 ' HB2' HD21 ' B' ' 136' ' ' LEU . 70.5 mt -100.04 107.44 19.36 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.216 -0.661 . . . . 75.14 109.216 174.643 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 100' ' ' ARG . . . . . 0.523 ' HA ' ' O ' ' B' ' 137' ' ' VAL . 61.6 mtt85 -98.99 112.52 24.61 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.198 -0.455 . . . . 70.24 109.862 -176.596 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 101' ' ' VAL . . . . . . . . . . . . . 96.2 t -102.51 100.69 10.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.088 -0.505 . . . . 60.12 110.824 -174.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 102' ' ' ALA . . . . . 0.509 ' HA ' ' HB3' ' B' ' 139' ' ' ALA . . . -94.42 101.34 13.26 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.626 -0.509 . . . . 53.32 109.626 176.674 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 13.1 mt -112.86 111.43 51.16 Favored Pre-proline 0 C--N 1.327 -0.382 0 CA-C-N 115.668 -0.696 . . . . 72.24 109.92 -178.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 104' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -70.98 147.77 55.71 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.697 2.265 . . . . 74.24 112.779 -179.461 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 105' ' ' GLY . . . . . . . . . . . . . . . 69.69 15.17 70.81 Favored Glycine 0 CA--C 1.521 0.408 0 CA-C-N 115.38 -0.827 . . . . 72.34 112.808 179.412 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 23.9 tp -123.44 139.97 53.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.883 0.373 . . . . 65.44 111.176 -176.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -74.78 144.01 43.77 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.866 -0.606 . . . . 63.12 110.051 175.305 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 108' ' ' ALA . . . . . 0.452 ' O ' ' HG3' ' B' ' 112' ' ' LYS . . . -62.94 -38.5 91.26 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.836 0.35 . . . . 74.55 110.531 178.515 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -57.02 -51.74 68.03 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 115.948 -0.569 . . . . 64.51 110.66 179.373 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 110' ' ' ALA . . . . . 0.522 ' O ' HG22 ' B' ' 113' ' ' THR . . . -67.91 -38.59 83.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.108 -0.496 . . . . 72.03 110.551 178.174 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -55.43 -39.3 70.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.697 -0.683 . . . . 64.14 110.817 -179.321 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 112' ' ' LYS . . . . . 0.452 ' HG3' ' O ' ' B' ' 108' ' ' ALA . 68.5 mttm -52.99 -47.91 67.88 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.093 -0.503 . . . . 74.45 110.703 176.741 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 113' ' ' THR . . . . . 0.522 HG22 ' O ' ' B' ' 110' ' ' ALA . 0.7 OUTLIER -74.05 -33.4 63.69 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 116.446 -0.343 . . . . 72.03 110.708 -176.174 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 44.8 mt -66.9 -45.44 77.97 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-O 120.798 0.332 . . . . 72.05 110.42 179.183 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 115' ' ' VAL . . . . . 0.532 HG22 HG12 ' B' ' 138' ' ' VAL . 94.8 t -65.77 -36.02 76.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.165 -0.47 . . . . 63.55 110.059 177.288 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -58.8 -59.89 4.72 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 116.22 -0.445 . . . . 75.43 110.632 177.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 117' ' ' ARG . . . . . . . . . . . . . 10.6 ptm180 -60.49 -43.13 97.34 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 115.959 -0.564 . . . . 70.2 110.802 -177.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -63.33 -39.62 95.05 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.096 0.474 . . . . 61.11 110.784 179.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 119' ' ' HIS . . . . . 0.57 ' CE1' HG21 ' B' ' 128' ' ' THR . 28.8 t-80 -87.77 10.12 19.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.806 -0.634 . . . . 74.31 110.172 -178.369 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 5.0 t60 -107.53 -32.59 7.64 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.696 -0.683 . . . . 73.32 109.535 176.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 33.1 m -100.96 7.94 9.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.874 -0.603 . . . . 73.14 111.396 -177.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 122' ' ' CYS . . . . . 0.604 ' SG ' HG23 ' B' ' 128' ' ' THR . 18.8 p -65.66 140.88 97.6 Favored Pre-proline 0 CA--C 1.533 0.312 0 CA-C-N 116.444 -0.344 . . . . 74.53 110.688 -179.73 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 123' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_endo -64.02 -6.83 11.98 Favored 'Trans proline' 0 C--N 1.353 0.766 0 C-N-CA 122.788 2.325 . . . . 65.25 112.833 -177.492 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 124' ' ' TYR . . . . . . . . . . . . . 55.0 m-85 -88.02 15.74 6.92 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-O 121.126 0.489 . . . . 65.35 110.106 177.592 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 125' ' ' SER . . . . . 0.403 ' O ' HG22 ' B' ' 128' ' ' THR . 9.3 t 77.5 168.02 0.23 Allowed 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 115.106 -0.952 . . . . 64.23 111.804 172.325 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 126' ' ' ASN . . . . . 0.514 ' C ' ' H ' ' B' ' 128' ' ' THR . 58.1 t30 -72.83 -31.03 64.5 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-O 121.623 0.725 . . . . 74.24 109.85 178.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 127' ' ' ALA . . . . . 0.5 ' O ' ' HB3' ' B' ' 131' ' ' ASN . . . -63.09 6.81 0.1 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.009 -0.996 . . . . 74.33 112.553 -179.762 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 128' ' ' THR . . . . . 0.604 HG23 ' SG ' ' B' ' 122' ' ' CYS . 14.9 t -89.85 -12.37 39.26 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 108.159 -1.052 . . . . 64.4 108.159 -173.326 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 129' ' ' ARG . . . . . 0.5 ' HG2' ' O ' ' B' ' 126' ' ' ASN . 23.5 ptt180 -118.06 -48.2 2.55 Favored 'General case' 0 N--CA 1.445 -0.693 0 CA-C-N 114.821 -1.081 . . . . 75.21 111.139 -178.712 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 130' ' ' ASN . . . . . 0.436 ' N ' ' HG3' ' B' ' 129' ' ' ARG . 6.6 m120 -78.81 -35.5 44.11 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.351 -0.386 . . . . 74.14 110.975 -175.04 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 131' ' ' ASN . . . . . 0.5 ' HB3' ' O ' ' B' ' 127' ' ' ALA . 3.1 t-20 -92.2 -42.4 9.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.903 -0.589 . . . . 75.43 110.991 -175.293 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 132' ' ' VAL . . . . . 0.402 HG23 ' O ' ' B' ' 127' ' ' ALA . 48.3 t -96.57 146.21 7.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.783 -0.644 . . . . 62.31 110.633 -175.229 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 133' ' ' ALA . . . . . . . . . . . . . . . -79.35 82.26 5.52 Favored 'General case' 0 C--O 1.239 0.526 0 CA-C-O 122.025 0.916 . . . . 72.23 111.078 -178.405 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 134' ' ' VAL . . . . . 0.568 HG13 HG11 ' B' ' 97' ' ' VAL . 24.1 t -119.56 105.97 18.31 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.751 0 CA-C-N 114.594 -1.184 . . . . 64.53 109.947 176.393 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 135' ' ' ARG . . . . . 0.426 ' HB3' ' HG3' ' B' ' 98' ' ' GLU . 0.1 OUTLIER -78.98 103.12 8.71 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.357 -0.609 . . . . 74.32 109.357 -178.943 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 136' ' ' LEU . . . . . 0.472 HD21 ' HB2' ' B' ' 99' ' ' LEU . 71.5 mt -74.67 114.66 13.35 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.277 -0.419 . . . . 72.41 110.247 175.81 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 137' ' ' VAL . . . . . 0.523 ' O ' ' HA ' ' B' ' 100' ' ' ARG . 0.2 OUTLIER -123.57 117.49 51.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 115.388 -0.824 . . . . 74.23 109.79 -178.753 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 138' ' ' VAL . . . . . 0.532 HG12 HG22 ' B' ' 115' ' ' VAL . 3.2 m -97.6 138.51 22.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 115.895 -0.593 . . . . 70.52 109.724 -178.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 139' ' ' ALA . . . . . 0.509 ' HB3' ' HA ' ' B' ' 102' ' ' ALA . . . . . . . . 0 C--O 1.251 1.166 0 CA-C-N 115.969 -0.56 . . . . 71.35 110.284 -175.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.6 ptt? . . . . . 0 N--CA 1.484 1.274 0 N-CA-C 110.35 -0.241 . . . . 71.43 110.35 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.434 HD21 ' HD2' ' B' ' 87' ' ' PRO . 22.4 t30 -73.01 75.79 1.2 Allowed 'General case' 0 CA--C 1.536 0.417 0 CA-C-O 121.35 0.595 . . . . 75.52 110.773 177.474 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.522 HG22 ' HB2' ' A' ' 6' ' ' LYS . 25.0 mm -75.66 142.15 14.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.61 -0.723 . . . . 51.02 111.693 176.886 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.707 ' HG ' ' HD3' ' B' ' 87' ' ' PRO . 90.8 mt -94.13 -46.58 7.04 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.621 -0.718 . . . . 74.21 109.997 172.108 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 54.5 t80 -137.41 131.92 32.71 Favored 'General case' 0 C--O 1.223 -0.302 0 CA-C-N 116.259 -0.428 . . . . 73.42 110.091 -178.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.522 ' HB2' HG22 ' A' ' 3' ' ' ILE . 30.7 ttmt -138.21 135.23 35.39 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.513 -0.312 . . . . 62.42 110.418 179.285 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 8.8 t -132.83 144.14 50.02 Favored 'General case' 0 C--O 1.239 0.535 0 CA-C-N 115.999 -0.546 . . . . 73.02 109.918 -178.19 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.434 ' HA ' ' HA ' ' B' ' 82' ' ' GLU . . . -111.37 151.44 28.46 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-O 121.353 0.597 . . . . 64.34 111.759 -174.916 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.411 ' HB1' ' HG2' ' B' ' 48' ' ' GLN . . . -151.45 117.87 5.67 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.463 -0.79 . . . . 73.03 109.965 176.791 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.541 ' HA ' ' HA ' ' B' ' 80' ' ' THR . 12.4 t -100.06 133.39 44.52 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.843 -0.617 . . . . 73.43 109.56 -177.493 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 76.4 p -117.35 113.23 21.82 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.417 -0.356 . . . . 74.42 110.587 -177.395 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 4.7 m -90.48 158.41 17.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.483 . . . . 72.12 111.216 -178.345 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -83.55 73.57 2.65 Favored Glycine 0 N--CA 1.447 -0.625 0 C-N-CA 121.041 -0.599 . . . . 62.44 112.066 175.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -70.85 -123.22 0.05 OUTLIER Glycine 0 CA--C 1.52 0.349 0 C-N-CA 121.346 -0.454 . . . . 62.02 112.438 178.33 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.572 ' HA ' ' HE ' ' A' ' 15' ' ' ARG . 0.1 OUTLIER -61.44 -55.15 34.52 Favored 'General case' 0 N--CA 1.462 0.155 0 N-CA-C 108.789 -0.819 . . . . 73.04 108.789 175.182 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.547 ' HB3' ' HA ' ' A' ' 31' ' ' SER . 26.2 t0 -125.73 -42.53 1.92 Allowed 'General case' 0 CA--C 1.511 -0.542 0 CA-C-N 115.2 -0.909 . . . . 74.22 108.685 167.217 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -161.7 166.81 36.24 Favored Glycine 0 N--CA 1.439 -1.115 0 C-N-CA 119.715 -1.231 . . . . 73.12 112.163 173.7 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.654 ' HA ' ' HA ' ' A' ' 29' ' ' LYS . 14.8 mtm180 -130.83 171.31 13.29 Favored 'General case' 0 C--N 1.311 -1.069 0 N-CA-C 109.256 -0.646 . . . . 73.24 109.256 173.214 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.586 ' HB2' ' HB1' ' B' ' 52' ' ' ALA . . . -149.15 123.02 9.32 Favored 'General case' 0 C--N 1.313 -1.009 0 N-CA-C 108.646 -0.872 . . . . 71.12 108.646 173.715 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 29.0 m -135.73 110.27 8.56 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 116.162 -0.472 . . . . 65.23 110.38 -177.014 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.552 ' HB3' ' N ' ' A' ' 26' ' ' LEU . 48.0 t -68.67 107.21 2.89 Favored 'General case' 0 C--O 1.245 0.857 0 N-CA-C 106.866 -1.531 . . . . 62.3 106.866 176.466 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.427 ' C ' ' H ' ' A' ' 24' ' ' GLN . 19.4 t-80 -60.56 -14.91 22.75 Favored 'General case' 0 C--N 1.343 0.302 0 O-C-N 125.748 1.905 . . . . 71.44 111.658 -168.817 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.526 ' HB2' ' HE2' ' A' ' 25' ' ' LYS . 13.5 m-20 -80.4 13.4 2.45 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.126 -0.694 . . . . 73.43 109.126 175.288 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.427 ' H ' ' C ' ' A' ' 22' ' ' HIS . 26.0 mm-40 65.48 30.27 10.84 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 115.052 -0.976 . . . . 72.53 109.722 178.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.526 ' HE2' ' HB2' ' A' ' 23' ' ' ASP . 55.0 mtmt -98.23 -19.09 18.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 114.892 -1.049 . . . . 73.44 110.73 178.683 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.552 ' N ' ' HB3' ' A' ' 21' ' ' SER . 43.6 tp -152.6 148.06 26.89 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 119.956 -0.698 . . . . 74.42 111.887 178.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -159.55 99.97 1.46 Allowed 'General case' 0 N--CA 1.468 0.452 0 O-C-N 123.696 0.622 . . . . 74.5 110.138 174.341 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 4.1 m -145.73 178.26 1.34 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 C-N-CA 122.903 0.481 . . . . 62.12 111.776 -178.65 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.654 ' HA ' ' HA ' ' A' ' 18' ' ' ARG . 13.1 ttmt -132.3 144.78 50.82 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.39 -0.823 . . . . 62.42 110.387 179.563 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.509 HD11 ' N ' ' A' ' 30' ' ' LEU . 0.0 OUTLIER -128.33 161.43 29.42 Favored 'General case' 0 C--O 1.254 1.304 0 CA-C-O 121.108 0.48 . . . . 73.21 110.582 175.301 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.547 ' HA ' ' HB3' ' A' ' 16' ' ' ASP . 49.0 m -156.8 135.12 11.33 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 115.409 -0.814 . . . . 75.34 110.59 -176.022 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -79.23 140.67 56.98 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-N 116.139 -0.482 . . . . 52.21 110.202 176.605 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.702 ' HB2' ' HG2' ' A' ' 35' ' ' GLU . 39.9 Cg_endo -65.47 150.07 87.23 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.324 2.016 . . . . 73.33 111.181 178.839 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.654 ' HB2' ' HA3' ' A' ' 40' ' ' GLY . 5.3 tpt180 -82.43 3.65 27.3 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.635 0.255 . . . . 64.52 110.365 -174.781 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.702 ' HG2' ' HB2' ' A' ' 33' ' ' PRO . 16.3 mm-40 -42.46 -61.48 1.2 Allowed 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 115.636 -0.711 . . . . 75.14 111.291 178.324 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 7.4 mp -95.9 13.26 27.41 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.437 -0.802 . . . . 73.53 110.734 -177.241 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 94.1 32.78 7.28 Favored Glycine 0 C--N 1.33 0.234 0 CA-C-N 115.983 -0.553 . . . . 72.22 112.341 -177.637 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -73.77 -123.04 0.09 OUTLIER Glycine 0 C--N 1.333 0.372 0 C-N-CA 121.345 -0.455 . . . . 73.44 112.366 178.059 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -117.41 -17.57 10.06 Favored 'General case' 0 C--N 1.332 -0.179 0 O-C-N 122.459 -0.436 . . . . 63.22 112.1 -179.06 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.654 ' HA3' ' HB2' ' A' ' 34' ' ' ARG . . . 53.95 78.13 0.12 Allowed Glycine 0 C--N 1.333 0.38 0 O-C-N 123.279 0.362 . . . . 45.53 113.979 175.625 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -162.5 -178.81 6.49 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.206 0.527 . . . . 51.12 111.71 178.534 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -88.25 81.15 7.38 Favored 'General case' 0 CA--C 1.515 -0.395 0 CA-C-N 115.283 -0.871 . . . . 71.23 110.407 -177.224 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -148.4 177.21 26.8 Favored Glycine 0 C--N 1.309 -0.954 0 CA-C-N 114.503 -1.226 . . . . 55.55 111.908 178.56 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.504 ' H ' ' HA ' ' A' ' 30' ' ' LEU . 25.5 m -87.6 152.44 22.18 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.646 -0.502 . . . . 74.01 109.646 179.152 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.577 ' ND2' ' HD3' ' A' ' 33' ' ' PRO . 5.6 m120 -86.26 122.28 72.34 Favored Pre-proline 0 C--N 1.326 -0.447 0 N-CA-C 108.946 -0.761 . . . . 72.33 108.946 178.516 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 6.6 Cg_endo -47.06 -52.55 7.61 Favored 'Trans proline' 0 C--N 1.349 0.581 0 C-N-CA 123.195 2.597 . . . . 63.04 112.912 -174.381 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -66.27 -32.92 74.63 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.086 0.47 . . . . 62.13 110.505 -176.683 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 9.9 tt0 -69.97 -30.83 68.28 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.146 0.498 . . . . 74.41 109.962 177.045 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -67.2 -44.06 80.56 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 108.753 -0.832 . . . . 71.11 108.753 177.066 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 36.6 t80 -60.52 -45.62 93.14 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 115.893 -0.594 . . . . 65.21 110.566 174.234 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -53.09 -50.53 64.23 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-O 120.864 0.364 . . . . 52.03 111.367 176.552 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.61 -47.36 85.87 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 116.106 -0.497 . . . . 73.32 110.511 179.406 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.512 ' HA3' HD11 ' B' ' 49' ' ' LEU . . . -63.52 -35.58 92.24 Favored Glycine 0 C--O 1.226 -0.388 0 CA-C-N 115.69 -0.686 . . . . 45.35 112.264 179.369 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -64.0 -47.92 78.44 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.315 -0.624 . . . . 74.55 109.315 179.565 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 18.4 m -61.24 -47.57 85.46 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.832 -0.622 . . . . 73.1 110.352 178.56 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.499 ' HB2' HD21 ' B' ' 30' ' ' LEU . . . -64.17 -42.69 96.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.482 -0.781 . . . . 72.41 111.314 -178.422 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.591 ' SG ' ' HB3' ' B' ' 46' ' ' PRO . 74.4 m -67.99 -38.9 83.21 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.442 -0.344 . . . . 74.4 110.284 -179.864 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 29.8 t80 -63.03 -41.16 99.45 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.961 -0.563 . . . . 74.24 109.52 179.789 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -68.38 -49.77 57.73 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 115.434 -0.803 . . . . 74.12 110.461 -178.488 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.612 ' HA ' ' HD3' ' A' ' 63' ' ' LYS . 24.6 t -63.62 -44.59 93.46 Favored 'General case' 0 C--O 1.24 0.569 0 CA-C-O 121.068 0.461 . . . . 74.4 110.348 -178.772 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -60.08 -42.56 94.85 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 116.256 -0.429 . . . . 64.15 110.003 177.004 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' MET . . . . . 0.653 ' HE3' ' HA ' ' A' ' 62' ' ' MET . 3.2 tpt -58.23 -38.13 76.22 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 115.677 -0.692 . . . . 61.32 110.118 177.194 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.612 ' HD3' ' HA ' ' A' ' 60' ' ' SER . 25.6 mtpp -61.7 -50.03 74.11 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 115.869 -0.605 . . . . 62.32 110.333 176.605 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 50.6 t80 -58.07 -46.98 84.54 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 116.132 -0.485 . . . . 70.35 110.73 177.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 54.1 t -56.99 -42.64 79.5 Favored 'Isoleucine or valine' 0 C--O 1.236 0.39 0 CA-C-N 115.906 -0.588 . . . . 51.41 110.931 179.583 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.441 ' HA ' ' HG3' ' A' ' 71' ' ' GLN . . . -57.31 -32.33 66.57 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.293 0.568 . . . . 55.45 110.374 177.809 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -72.29 -26.56 71.79 Favored Glycine 0 N--CA 1.452 -0.291 0 CA-C-N 115.185 -0.916 . . . . 65.01 112.653 -176.21 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -97.72 -23.41 15.94 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.162 0.506 . . . . 73.33 109.742 -178.197 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 25.4 m-80 -89.24 -0.48 57.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.454 -0.794 . . . . 73.35 111.395 179.586 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 9.3 mptt 62.4 26.52 15.83 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 116.148 -0.478 . . . . 70.5 111.54 176.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.441 ' HG3' ' HA ' ' A' ' 66' ' ' ALA . 1.3 pt20 -111.88 169.58 8.74 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.005 -0.543 . . . . 65.11 110.447 -179.349 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 26.8 p -123.08 141.37 52.04 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-N 116.299 -0.409 . . . . 71.13 110.862 -178.314 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.527 HD11 ' HG3' ' A' ' 62' ' ' MET . 95.9 mt -109.4 142.74 26.31 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 116.19 -0.459 . . . . 64.52 110.964 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.472 ' O ' HG21 ' A' ' 77' ' ' THR . 19.3 Cg_exo -67.02 141.35 57.68 Favored 'Trans proline' 0 C--N 1.349 0.559 0 C-N-CA 122.845 2.363 . . . . 75.32 112.015 177.551 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -77.06 -15.35 59.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.429 0.633 . . . . 74.43 110.895 178.799 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -91.98 12.37 22.05 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.156 -0.929 . . . . 72.44 112.12 -172.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.472 HG21 ' O ' ' A' ' 74' ' ' PRO . 8.6 t -89.07 153.49 20.94 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.17 0.51 . . . . 74.0 111.986 -175.674 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.0 p -144.38 154.38 42.93 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.43 -0.805 . . . . 72.13 110.583 179.424 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 84.8 t -130.51 123.77 55.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 115.866 -0.606 . . . . 73.54 109.4 175.377 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 32.6 m -113.46 110.93 21.1 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.356 -0.384 . . . . 61.0 110.558 -178.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -93.11 107.09 18.96 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.228 -0.442 . . . . 75.0 109.827 177.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.474 ' HA ' ' HA ' ' B' ' 8' ' ' ALA . 36.3 tt0 -104.95 107.71 18.83 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.056 -0.72 . . . . 75.53 109.056 -179.264 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 24.8 m -101.69 141.21 18.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.377 -0.374 . . . . 74.25 111.441 -173.258 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -130.94 153.14 20.18 Favored Glycine 0 N--CA 1.444 -0.819 0 N-CA-C 111.222 -0.751 . . . . 64.22 111.222 176.047 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -132.7 133.0 59.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 N-CA-C 109.327 -0.62 . . . . 71.32 109.327 -179.39 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -149.03 169.96 29.42 Favored Glycine 0 N--CA 1.453 -0.174 0 CA-C-N 115.495 -0.775 . . . . 64.2 111.168 179.758 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . 0.48 ' HD3' ' HG ' ' B' ' 4' ' ' LEU . 62.1 Cg_endo -72.83 138.06 28.14 Favored 'Trans proline' 0 N--CA 1.461 -0.399 0 C-N-CA 122.186 1.924 . . . . 75.13 111.855 -178.126 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 54.4 t-20 -83.6 139.48 32.81 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.049 -0.722 . . . . 63.43 109.049 178.316 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -62.53 -16.56 56.57 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.956 0.408 . . . . 74.31 110.725 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -68.38 -19.39 64.62 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 115.527 -0.761 . . . . 62.35 111.047 175.379 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.31 34.87 3.52 Favored Glycine 0 CA--C 1.518 0.223 0 CA-C-N 115.813 -0.631 . . . . 52.42 111.963 -177.481 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -144.7 -135.61 2.92 Favored Glycine 0 C--N 1.331 0.255 0 N-CA-C 111.473 -0.651 . . . . 74.12 111.473 178.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 -126.21 163.17 23.76 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.917 -0.401 . . . . 72.25 109.917 178.2 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -150.61 147.13 27.04 Favored 'General case' 0 C--O 1.239 0.527 0 CA-C-N 116.345 -0.389 . . . . 73.43 110.497 -177.502 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -113.76 134.88 54.5 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 115.404 -0.816 . . . . 75.45 109.775 -176.274 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.469 ' HB2' ' SD ' ' B' ' 1' ' ' MET . 11.4 t70 -133.07 112.11 11.52 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.125 -0.694 . . . . 62.1 109.125 -178.243 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.435 ' O ' ' HA ' ' A' ' 134' ' ' VAL . 2.4 p -113.99 117.72 56.31 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.258 0 CA-C-O 121.292 0.567 . . . . 41.42 112.122 -174.379 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.498 ' HA ' ' HB2' ' A' ' 135' ' ' ARG . 42.7 mt-10 -88.05 104.26 16.49 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.607 -0.724 . . . . 52.25 109.36 175.576 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 14.2 tp -93.91 110.74 22.39 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.342 -0.614 . . . . 73.33 109.342 -178.164 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.537 ' HA ' ' O ' ' A' ' 137' ' ' VAL . 53.5 mtt-85 -99.49 124.36 44.59 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.583 -0.735 . . . . 73.43 110.38 -174.323 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 43.9 t -111.91 98.33 6.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 116.269 -0.423 . . . . 72.23 110.316 -176.272 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -91.72 101.4 14.01 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.964 0.411 . . . . 73.1 109.946 -179.632 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.408 ' HB2' HD21 ' A' ' 106' ' ' LEU . 26.7 mt -112.97 114.75 48.79 Favored Pre-proline 0 C--N 1.326 -0.42 0 CA-C-N 115.771 -0.649 . . . . 73.31 109.996 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 66.9 Cg_endo -73.79 152.45 47.27 Favored 'Trans proline' 0 C--O 1.235 0.334 0 C-N-CA 122.63 2.22 . . . . 73.52 111.824 179.256 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 68.28 15.06 67.38 Favored Glycine 0 CA--C 1.52 0.368 0 CA-C-N 115.854 -0.612 . . . . 54.45 112.686 -178.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.408 HD21 ' HB2' ' A' ' 103' ' ' LEU . 35.6 tp -126.72 141.41 51.85 Favored 'General case' 0 N--CA 1.464 0.236 0 C-N-CA 122.478 0.311 . . . . 65.03 110.28 -177.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -78.4 163.59 25.52 Favored 'General case' 0 CA--C 1.509 -0.606 0 CA-C-N 116.498 -0.319 . . . . 72.42 111.002 -179.67 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . 0.549 ' O ' ' HG2' ' A' ' 112' ' ' LYS . . . -66.91 -44.53 80.54 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.428 -0.805 . . . . 74.35 109.748 169.674 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -58.89 -50.46 73.95 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 115.632 -0.713 . . . . 64.13 110.865 -176.653 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . 0.477 ' O ' ' HG ' ' A' ' 114' ' ' LEU . . . -70.21 -44.45 68.62 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.865 -0.607 . . . . 73.25 109.972 179.451 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -54.74 -35.09 63.36 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 115.77 -0.65 . . . . 54.13 111.746 179.813 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . 0.549 ' HG2' ' O ' ' A' ' 108' ' ' ALA . 12.5 mmmm -52.08 -49.43 63.55 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 120.896 0.379 . . . . 74.23 110.945 179.281 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' THR . . . . . 0.426 HG21 ' O ' ' A' ' 110' ' ' ALA . 2.2 t -79.85 -36.31 36.92 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 116.175 -0.466 . . . . 74.22 110.435 -176.132 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.477 ' HG ' ' O ' ' A' ' 110' ' ' ALA . 33.6 mt -60.8 -51.05 70.99 Favored 'General case' 0 C--O 1.228 -0.057 0 CA-C-N 115.986 -0.552 . . . . 61.01 110.905 -178.33 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . 0.437 HG23 HG13 ' A' ' 138' ' ' VAL . 93.5 t -62.99 -38.65 82.58 Favored 'Isoleucine or valine' 0 C--O 1.236 0.395 0 CA-C-O 120.985 0.421 . . . . 72.22 110.483 178.896 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -54.91 -59.82 4.21 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 115.667 -0.697 . . . . 65.51 110.504 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 13.1 ptm180 -69.49 -34.33 74.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.676 -0.693 . . . . 65.24 110.675 -177.58 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . 0.483 ' HA ' HG22 ' A' ' 121' ' ' VAL . . . -57.79 -36.95 72.89 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 115.857 -0.61 . . . . 63.41 110.549 177.625 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . 0.478 ' O ' ' HB3' ' A' ' 123' ' ' PRO . 3.8 t-80 -67.55 -9.69 44.93 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 115.737 -0.665 . . . . 74.13 111.157 -178.535 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . 0.443 ' HB2' ' NH1' ' A' ' 129' ' ' ARG . 20.2 t-160 -108.7 -42.85 4.4 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 116.603 -0.271 . . . . 75.14 111.403 175.864 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . 0.483 HG22 ' HA ' ' A' ' 118' ' ' ALA . 27.6 m -81.93 -19.66 10.75 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.302 0 N-CA-C 111.637 0.236 . . . . 74.54 111.637 -174.904 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' CYS . . . . . 0.506 ' N ' ' HD3' ' A' ' 123' ' ' PRO . 53.9 t -141.71 57.12 6.66 Favored Pre-proline 0 CA--C 1.535 0.391 0 CA-C-O 120.757 0.313 . . . . 72.12 110.943 -179.384 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . 0.506 ' HD3' ' N ' ' A' ' 122' ' ' CYS . 36.2 Cg_endo -100.03 -168.99 0.09 OUTLIER 'Trans proline' 0 N--CA 1.453 -0.878 0 C-N-CA 123.271 2.647 . . . . 75.04 112.234 -179.841 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -102.76 -4.94 24.25 Favored 'General case' 0 CA--C 1.534 0.336 0 N-CA-C 108.989 -0.745 . . . . 65.44 108.989 173.174 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 42.5 t 171.2 164.3 0.08 Allowed 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 114.866 -1.061 . . . . 65.33 108.77 179.675 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 28.2 p-10 -72.21 -31.94 66.32 Favored 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 108.7 -0.852 . . . . 73.42 108.7 173.688 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . 0.614 ' O ' ' HB3' ' A' ' 131' ' ' ASN . . . -71.48 6.81 1.64 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 114.9 -1.046 . . . . 54.1 111.713 -179.5 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 3.3 t -92.84 -1.63 56.6 Favored 'General case' 0 CA--C 1.514 -0.433 0 N-CA-C 108.592 -0.892 . . . . 73.21 108.592 -171.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . 0.443 ' NH1' ' HB2' ' A' ' 120' ' ' HIS . 13.8 ptm180 -127.85 -46.76 1.4 Allowed 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 115.161 -0.927 . . . . 72.04 111.782 -178.386 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -78.48 -48.12 16.0 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-O 121.455 0.645 . . . . 71.52 110.858 177.809 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . 0.614 ' HB3' ' O ' ' A' ' 127' ' ' ALA . 2.5 t-20 -77.94 -43.51 29.62 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 114.984 -1.007 . . . . 72.12 111.1 -175.125 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 58.9 t -101.94 136.08 35.7 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.261 0 CA-C-N 116.352 -0.385 . . . . 70.22 110.464 -178.538 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -82.35 99.55 9.44 Favored 'General case' 0 C--O 1.239 0.51 0 CA-C-O 121.159 0.504 . . . . 45.42 110.987 -179.044 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . 0.435 ' HA ' ' O ' ' A' ' 97' ' ' VAL . 13.7 t -118.34 113.91 43.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.654 -0.703 . . . . 75.02 110.965 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . 0.498 ' HB2' ' HA ' ' A' ' 98' ' ' GLU . 11.2 mmt180 -75.18 103.66 5.44 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.052 -0.721 . . . . 74.34 109.052 175.581 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . 0.432 HD12 ' CG ' ' A' ' 119' ' ' HIS . 31.2 mt -77.2 108.64 10.45 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.087 0.47 . . . . 50.04 110.107 177.092 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . 0.537 ' O ' ' HA ' ' A' ' 100' ' ' ARG . 0.1 OUTLIER -119.94 117.1 52.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.33 -0.85 . . . . 74.42 109.658 -179.32 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . 0.437 HG13 HG23 ' A' ' 115' ' ' VAL . 2.5 m -88.61 138.87 18.32 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 115.598 -0.728 . . . . 71.15 109.818 -177.272 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.316 -0.849 0 CA-C-N 115.918 -0.583 . . . . 73.13 110.808 -177.903 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.469 ' SD ' ' HB2' ' A' ' 96' ' ' ASP . 28.3 ptm . . . . . 0 C--O 1.234 0.263 0 CA-C-O 120.841 0.353 . . . . 72.42 110.733 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 2' ' ' ASN . . . . . 0.407 ' O ' ' HD2' ' A' ' 87' ' ' PRO . 43.8 t30 -95.74 85.66 4.19 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.713 -0.676 . . . . 61.35 109.799 -179.092 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . 0.429 HG21 ' HB2' ' B' ' 6' ' ' LYS . 33.0 mm -71.56 120.79 20.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 116.004 -0.544 . . . . 72.42 111.656 179.378 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . 0.48 ' HG ' ' HD3' ' A' ' 87' ' ' PRO . 90.5 mt -82.73 -45.27 14.63 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.288 -0.869 . . . . 75.25 110.092 177.035 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 5' ' ' TYR . . . . . . . . . . . . . 51.9 t80 -135.51 131.4 36.0 Favored 'General case' 0 C--O 1.223 -0.301 0 CA-C-N 116.097 -0.502 . . . . 75.45 110.459 -178.202 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . 0.429 ' HB2' HG21 ' B' ' 3' ' ' ILE . 38.7 ttmt -136.73 143.02 43.1 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.09 -0.504 . . . . 65.01 110.488 178.811 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 15.0 t -147.92 153.05 38.57 Favored 'General case' 0 C--O 1.236 0.376 0 N-CA-C 109.095 -0.706 . . . . 73.02 109.095 179.49 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . 0.474 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . . . -120.41 145.9 46.73 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 121.291 0.567 . . . . 64.22 112.233 -172.691 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . 0.604 ' HA ' ' H ' ' B' ' 22' ' ' HIS . . . -130.23 135.6 48.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.669 -0.696 . . . . 71.2 109.889 174.852 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 92.4 m -120.39 122.39 40.65 Favored 'General case' 0 N--CA 1.446 -0.648 0 N-CA-C 108.992 -0.744 . . . . 64.31 108.992 -173.393 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 49.8 m -124.84 131.4 53.44 Favored 'General case' 0 C--N 1.314 -0.966 0 CA-C-N 116.271 -0.422 . . . . 74.14 111.141 -174.628 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 7.3 m -108.29 159.3 16.75 Favored 'General case' 0 C--O 1.239 0.517 0 CA-C-N 116.081 -0.509 . . . . 73.24 110.951 -177.562 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -84.76 75.28 2.38 Favored Glycine 0 N--CA 1.445 -0.741 0 CA-C-N 115.861 -0.609 . . . . 71.12 111.857 175.546 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -69.49 -145.21 0.2 Allowed Glycine 0 C--N 1.336 0.54 0 C-N-CA 121.307 -0.473 . . . . 73.4 112.379 176.209 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . 0.469 ' HG3' ' HB3' ' B' ' 41' ' ' ALA . 7.2 tpp180 -51.88 -52.96 46.04 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 116.809 0.304 . . . . 65.14 110.668 178.753 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 16' ' ' ASP . . . . . 0.491 ' HB3' ' HA ' ' B' ' 31' ' ' SER . 9.0 t70 -125.75 -42.97 1.89 Allowed 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 108.743 -0.836 . . . . 65.33 108.743 172.51 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 17' ' ' GLY . . . . . 0.407 ' O ' ' HG3' ' B' ' 29' ' ' LYS . . . -166.57 159.47 32.8 Favored Glycine 0 C--N 1.342 0.887 0 N-CA-C 111.199 -0.76 . . . . 74.22 111.199 165.287 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 18' ' ' ARG . . . . . 0.554 ' HA ' ' HA ' ' B' ' 29' ' ' LYS . 4.4 tmm_? -140.66 118.81 11.98 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 117.322 0.561 . . . . 74.4 109.893 178.916 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -111.52 124.03 51.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.466 -0.334 . . . . 64.31 110.656 -176.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 76.2 m -131.31 112.91 13.18 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.191 -0.458 . . . . 75.11 110.0 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 21' ' ' SER . . . . . 0.596 ' HB3' ' N ' ' B' ' 26' ' ' LEU . 29.2 t -65.25 107.91 1.74 Allowed 'General case' 0 C--O 1.247 0.965 0 N-CA-C 107.655 -1.239 . . . . 74.21 107.655 176.665 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 22' ' ' HIS . . . . . 0.604 ' H ' ' HA ' ' B' ' 9' ' ' ALA . 7.8 t-80 -47.85 -38.02 15.18 Favored 'General case' 0 N--CA 1.467 0.413 0 O-C-N 126.205 2.191 . . . . 73.12 113.082 -166.668 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -80.14 25.73 0.37 Allowed 'General case' 0 C--N 1.317 -0.832 0 CA-C-O 121.148 0.499 . . . . 63.54 110.901 -176.262 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . 0.442 ' H ' ' C ' ' B' ' 22' ' ' HIS . 26.6 mm-40 69.6 21.41 6.67 Favored 'General case' 0 CA--C 1.519 -0.227 0 CA-C-N 115.2 -0.909 . . . . 71.43 110.358 173.427 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.547 ' HB2' ' OG ' ' B' ' 21' ' ' SER . 18.2 mmtm -86.88 -24.82 24.74 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.135 -0.939 . . . . 41.25 111.297 -179.413 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . 0.596 ' N ' ' HB3' ' B' ' 21' ' ' SER . 31.8 tp -156.44 152.04 26.97 Favored 'General case' 0 CA--C 1.505 -0.767 0 C-N-CA 119.902 -0.719 . . . . 73.34 111.679 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -159.8 94.15 1.12 Allowed 'General case' 0 N--CA 1.447 -0.601 0 CA-C-N 115.34 -0.845 . . . . 53.33 110.32 -179.321 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 4.6 m -144.25 177.74 1.96 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.405 0 CA-C-O 121.553 0.692 . . . . 74.12 111.898 179.287 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.554 ' HA ' ' HA ' ' B' ' 18' ' ' ARG . 24.7 ttmt -123.98 140.91 52.51 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 114.849 -1.069 . . . . 74.12 109.813 178.83 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . 0.695 ' HA ' ' H ' ' B' ' 44' ' ' THR . 0.0 OUTLIER -126.12 169.92 12.31 Favored 'General case' 0 C--O 1.253 1.26 0 CA-C-N 116.258 -0.428 . . . . 72.32 109.968 177.924 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 31' ' ' SER . . . . . 0.491 ' HA ' ' HB3' ' B' ' 16' ' ' ASP . 21.8 m -159.02 134.52 8.57 Favored 'General case' 0 N--CA 1.446 -0.657 0 CA-C-N 115.634 -0.712 . . . . 62.35 111.914 -174.058 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 32' ' ' ALA . . . . . 0.41 ' O ' ' N ' ' B' ' 34' ' ' ARG . . . -90.61 93.73 0.55 Allowed Pre-proline 0 N--CA 1.444 -0.728 0 N-CA-C 107.037 -1.468 . . . . 75.13 107.037 162.364 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 33' ' ' PRO . . . . . 0.511 ' O ' ' HG2' ' B' ' 35' ' ' GLU . 56.4 Cg_endo -66.27 65.18 0.49 Allowed 'Trans proline' 0 C--N 1.354 0.852 0 C-N-CA 123.357 2.705 . . . . 72.21 113.112 -167.31 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 34' ' ' ARG . . . . . 0.505 ' O ' ' N ' ' B' ' 36' ' ' LEU . 19.2 mmt180 50.48 -96.73 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.849 -0.614 . . . . 71.43 111.47 -176.176 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . 0.511 ' HG2' ' O ' ' B' ' 33' ' ' PRO . 12.9 mm-40 50.07 -74.55 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 O-C-N 124.203 0.939 . . . . 72.42 112.588 -177.506 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . 0.66 ' HG ' HD13 ' B' ' 85' ' ' ILE . 1.3 mm? -85.63 -36.05 20.57 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.827 -0.805 . . . . 63.52 108.827 -175.5 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 152.29 39.38 0.03 OUTLIER Glycine 0 N--CA 1.448 -0.555 0 CA-C-N 114.668 -1.151 . . . . 51.22 111.489 -179.538 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -77.65 -128.0 0.4 Allowed Glycine 0 C--N 1.336 0.532 0 C-N-CA 120.491 -0.861 . . . . 64.12 111.742 -178.382 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 39' ' ' ALA . . . . . 0.437 ' HB3' ' OD1' ' B' ' 16' ' ' ASP . . . -116.01 -47.11 2.79 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.972 -0.381 . . . . 71.25 109.972 176.466 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 114.18 103.06 2.51 Favored Glycine 0 C--N 1.331 0.304 0 C-N-CA 121.103 -0.57 . . . . 53.13 112.489 176.327 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . 0.469 ' HB3' ' HG3' ' B' ' 15' ' ' ARG . . . -168.7 -176.26 2.69 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.88 0.371 . . . . 75.21 111.689 179.197 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -110.98 17.78 20.13 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 116.066 -0.515 . . . . 74.14 111.624 -174.798 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -79.11 -164.17 27.0 Favored Glycine 0 CA--C 1.52 0.406 0 C-N-CA 121.018 -0.61 . . . . 72.12 112.754 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 44' ' ' THR . . . . . 0.695 ' H ' ' HA ' ' B' ' 30' ' ' LEU . 25.7 m -93.1 136.96 32.88 Favored 'General case' 0 CA--C 1.533 0.315 0 O-C-N 122.859 -0.201 . . . . 70.51 110.827 -175.533 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 13.1 m120 -61.1 119.62 47.1 Favored Pre-proline 0 N--CA 1.466 0.334 0 O-C-N 122.968 0.168 . . . . 71.14 110.984 179.461 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 46' ' ' PRO . . . . . 0.591 ' HB3' ' SG ' ' A' ' 57' ' ' CYS . 72.3 Cg_exo -50.61 -40.17 55.46 Favored 'Trans proline' 0 C--N 1.349 0.57 0 C-N-CA 122.912 2.408 . . . . 54.41 112.051 174.341 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -58.2 -49.75 75.94 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 121.548 0.689 . . . . 73.03 109.179 177.722 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . 0.442 ' OE1' ' HB2' ' A' ' 21' ' ' SER . 1.1 tm0? -62.85 -36.13 82.23 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 114.758 -1.11 . . . . 65.22 109.983 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 49' ' ' LEU . . . . . 0.512 HD11 ' HA3' ' A' ' 53' ' ' GLY . 2.7 tm? -61.43 -54.25 46.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.845 -0.616 . . . . 73.15 110.233 -178.21 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 30.7 t80 -63.2 -41.97 99.24 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 116.759 -0.201 . . . . 74.53 110.474 177.69 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -51.94 -52.99 46.35 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.166 -0.47 . . . . 63.22 110.791 176.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 52' ' ' ALA . . . . . 0.586 ' HB1' ' HB2' ' A' ' 19' ' ' ALA . . . -66.95 -41.7 86.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.713 -0.676 . . . . 74.31 110.877 -178.128 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -60.35 -48.42 86.23 Favored Glycine 0 N--CA 1.451 -0.34 0 CA-C-N 115.764 -0.653 . . . . 73.22 112.256 179.084 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -69.98 -36.67 75.37 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 110.162 -0.31 . . . . 73.43 110.162 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 8.7 t -61.4 -49.8 75.42 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.138 0.494 . . . . 71.55 109.924 179.317 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 56' ' ' ALA . . . . . 0.44 ' HB1' HD22 ' A' ' 30' ' ' LEU . . . -69.38 -43.04 74.33 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 115.946 -0.57 . . . . 72.32 110.641 179.594 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 57' ' ' CYS . . . . . 0.647 ' SG ' ' HE2' ' B' ' 124' ' ' TYR . 38.6 t -60.65 -36.26 78.25 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 116.007 -0.542 . . . . 72.4 110.202 179.19 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 58' ' ' PHE . . . . . 0.657 ' HE2' ' SG ' ' B' ' 122' ' ' CYS . 41.0 t80 -65.81 -35.29 80.26 Favored 'General case' 0 N--CA 1.454 -0.268 0 N-CA-C 109.311 -0.626 . . . . 61.11 109.311 179.603 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . 0.584 ' O ' ' HG2' ' B' ' 63' ' ' LYS . 28.8 tp -71.41 -37.42 71.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.329 -0.85 . . . . 73.31 110.116 178.911 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 43.2 m -63.77 -45.26 90.59 Favored 'General case' 0 C--O 1.24 0.574 0 CA-C-O 121.397 0.618 . . . . 73.23 110.097 174.379 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . 0.442 ' O ' HG21 ' B' ' 65' ' ' VAL . . . -59.71 -37.4 78.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.883 -0.598 . . . . 44.1 109.573 174.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 62' ' ' MET . . . . . 0.632 ' HA ' ' HE3' ' B' ' 62' ' ' MET . 4.5 tpt -62.78 -37.58 87.23 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-N 115.39 -0.823 . . . . 71.0 110.013 176.539 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . 0.584 ' HG2' ' O ' ' B' ' 59' ' ' LEU . 31.5 mmtp -58.64 -52.26 66.45 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-O 121.417 0.627 . . . . 72.03 109.315 174.683 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 61.0 t80 -61.77 -44.62 96.52 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 114.95 -1.023 . . . . 73.11 110.84 -176.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . 0.442 HG21 ' O ' ' B' ' 61' ' ' ALA . 54.8 t -55.98 -52.43 49.82 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 116.429 -0.35 . . . . 75.05 110.251 177.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -55.81 -34.03 64.96 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.137 0.494 . . . . 74.13 110.139 177.344 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -70.08 -31.5 69.39 Favored Glycine 0 N--CA 1.451 -0.341 0 CA-C-N 115.281 -0.872 . . . . 75.04 112.534 -176.577 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -94.5 -16.94 22.89 Favored 'General case' 0 CA--C 1.522 -0.12 0 N-CA-C 109.286 -0.635 . . . . 64.5 109.286 -179.01 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -89.56 -1.89 58.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.183 -0.917 . . . . 65.21 110.541 177.711 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 10.6 mptt 61.98 24.3 14.44 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-N 115.927 -0.579 . . . . 73.12 111.462 177.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -115.12 163.37 15.72 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.698 -0.683 . . . . 74.24 110.017 178.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 24.4 p -125.96 136.62 53.22 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.357 -0.383 . . . . 74.12 110.432 -179.727 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . 0.416 ' CD1' ' HG3' ' B' ' 62' ' ' MET . 93.5 mt -109.36 144.97 30.88 Favored Pre-proline 0 C--N 1.326 -0.427 0 CA-C-N 115.943 -0.572 . . . . 75.15 110.312 -177.742 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 74' ' ' PRO . . . . . 0.538 ' HD2' HD13 ' B' ' 103' ' ' LEU . 39.9 Cg_exo -58.65 149.08 78.81 Favored 'Trans proline' 0 C--N 1.349 0.583 0 C-N-CA 122.794 2.329 . . . . 74.32 112.812 -179.51 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -76.24 -23.28 54.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.588 0.709 . . . . 71.53 110.818 178.532 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -80.9 19.01 0.9 Allowed 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 114.767 -1.106 . . . . 60.22 111.487 -172.791 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 77' ' ' THR . . . . . 0.423 ' HB ' HD12 ' B' ' 103' ' ' LEU . 8.8 t -92.86 157.54 16.33 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.058 0.456 . . . . 73.25 111.207 -176.696 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 57.6 m -152.95 151.02 29.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.898 -0.592 . . . . 71.23 110.266 -179.271 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 94.4 t -124.41 122.41 63.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 N-CA-C 109.032 -0.729 . . . . 54.24 109.032 175.083 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 80' ' ' THR . . . . . 0.541 ' HA ' ' HA ' ' A' ' 10' ' ' THR . 19.0 m -106.52 106.78 17.47 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-O 120.891 0.377 . . . . 75.2 111.118 -175.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -93.16 115.09 27.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.994 -0.548 . . . . 73.43 110.226 179.541 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 82' ' ' GLU . . . . . 0.434 ' HA ' ' HA ' ' A' ' 8' ' ' ALA . 36.1 tt0 -116.34 108.49 16.14 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.013 -0.736 . . . . 71.23 109.013 178.687 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . 0.47 HG13 HG11 ' B' ' 97' ' ' VAL . 23.7 m -107.41 150.73 9.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.163 -0.471 . . . . 71.44 110.942 -173.569 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 84' ' ' GLY . . . . . 0.424 ' HA2' ' HA ' ' A' ' 6' ' ' LYS . . . -143.04 164.86 27.11 Favored Glycine 0 N--CA 1.443 -0.874 0 CA-C-N 116.066 -0.516 . . . . 52.45 112.039 -179.416 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 85' ' ' ILE . . . . . 0.66 HD13 ' HG ' ' B' ' 36' ' ' LEU . 0.0 OUTLIER -136.3 130.91 48.19 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.778 0 N-CA-C 108.751 -0.833 . . . . 73.1 108.751 179.619 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -141.54 169.72 25.04 Favored Glycine 0 N--CA 1.451 -0.324 0 CA-C-N 115.342 -0.844 . . . . 52.3 111.296 179.777 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 87' ' ' PRO . . . . . 0.707 ' HD3' ' HG ' ' A' ' 4' ' ' LEU . 3.4 Cg_exo -78.28 122.0 5.49 Favored 'Trans proline' 0 N--CA 1.457 -0.665 0 C-N-CA 122.759 2.306 . . . . 70.05 111.912 -177.786 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 88' ' ' ASN . . . . . . . . . . . . . 56.9 t-20 -69.14 136.7 52.57 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 108.532 -0.914 . . . . 72.3 108.532 174.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -61.95 -16.98 55.24 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.897 0.38 . . . . 71.21 111.198 -179.036 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -67.42 -20.63 65.55 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-O 121.475 0.655 . . . . 74.05 110.674 174.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.38 35.2 3.41 Favored Glycine 0 N--CA 1.453 -0.176 0 CA-C-N 115.628 -0.714 . . . . 72.2 111.75 -177.727 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . -140.67 -148.43 5.12 Favored Glycine 0 N--CA 1.452 -0.299 0 N-CA-C 110.789 -0.924 . . . . 70.13 110.789 177.715 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 93' ' ' PHE . . . . . 0.404 ' CD2' HD11 ' B' ' 85' ' ' ILE . 60.6 m-85 -118.82 154.74 32.37 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 117.081 0.441 . . . . 73.12 110.194 178.015 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -141.14 136.17 31.6 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.913 -0.585 . . . . 62.21 109.876 -178.117 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -99.95 132.47 45.28 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.154 -0.476 . . . . 74.21 110.844 -178.063 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 96' ' ' ASP . . . . . 0.41 ' HB3' HD11 ' A' ' 3' ' ' ILE . 31.3 t70 -119.09 115.88 25.2 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.131 -0.94 . . . . 73.53 109.509 179.354 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 97' ' ' VAL . . . . . 0.599 ' HB ' HG23 ' B' ' 134' ' ' VAL . 61.3 t -113.68 111.65 36.95 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-N 116.342 -0.39 . . . . 65.34 110.664 -176.196 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 98' ' ' GLU . . . . . 0.431 ' HG2' ' HB3' ' B' ' 135' ' ' ARG . 34.0 mt-10 -104.39 106.44 16.93 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.993 0.425 . . . . 74.42 109.975 178.575 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 96.3 mt -93.94 116.65 29.11 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 115.849 -0.614 . . . . 75.14 110.389 -177.42 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 100' ' ' ARG . . . . . 0.56 ' HA ' ' O ' ' B' ' 137' ' ' VAL . 79.7 mtt180 -99.45 129.38 45.63 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.108 -0.496 . . . . 70.24 110.128 -178.874 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 101' ' ' VAL . . . . . 0.478 HG22 HG23 ' B' ' 115' ' ' VAL . 73.0 t -110.31 111.32 35.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.415 -0.357 . . . . 60.12 110.927 -178.327 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -111.4 101.64 10.08 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.859 0.361 . . . . 53.32 110.395 177.509 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 103' ' ' LEU . . . . . 0.711 HD23 HD23 ' B' ' 106' ' ' LEU . 34.6 tp -114.47 119.19 40.4 Favored Pre-proline 0 C--N 1.328 -0.366 0 N-CA-C 109.024 -0.732 . . . . 72.24 109.024 177.403 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 104' ' ' PRO . . . . . 0.52 ' HD2' HD12 ' B' ' 103' ' ' LEU . 50.5 Cg_endo -70.78 147.98 57.45 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.552 2.168 . . . . 74.24 112.354 -177.369 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 105' ' ' GLY . . . . . . . . . . . . . . . 72.08 15.45 76.51 Favored Glycine 0 CA--C 1.521 0.418 0 CA-C-N 115.585 -0.734 . . . . 72.34 112.418 -178.475 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 106' ' ' LEU . . . . . 0.711 HD23 HD23 ' B' ' 103' ' ' LEU . 27.1 tp -121.49 146.68 46.68 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 122.787 0.435 . . . . 65.44 111.087 -177.105 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -91.46 148.97 21.92 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 115.909 -0.587 . . . . 63.12 110.745 173.632 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 108' ' ' ALA . . . . . 0.522 ' O ' ' HG3' ' B' ' 112' ' ' LYS . . . -63.35 -39.67 95.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 74.55 110.819 -178.362 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -55.62 -45.11 77.6 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 116.156 -0.474 . . . . 64.51 111.109 -179.233 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 110' ' ' ALA . . . . . 0.562 ' O ' HG21 ' B' ' 113' ' ' THR . . . -73.96 -39.23 63.86 Favored 'General case' 0 C--O 1.239 0.537 0 CA-C-O 121.316 0.579 . . . . 72.03 110.229 177.155 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 111' ' ' ALA . . . . . 0.426 ' O ' HG22 ' B' ' 115' ' ' VAL . . . -54.7 -36.38 64.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.584 -0.734 . . . . 64.14 110.675 179.155 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 112' ' ' LYS . . . . . 0.522 ' HG3' ' O ' ' B' ' 108' ' ' ALA . 62.6 mtpt -56.09 -44.19 78.75 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 115.874 -0.603 . . . . 74.45 111.284 178.77 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 113' ' ' THR . . . . . 0.562 HG21 ' O ' ' B' ' 110' ' ' ALA . 1.6 t -75.35 -35.7 61.11 Favored 'General case' 0 N--CA 1.462 0.162 0 N-CA-C 110.225 -0.287 . . . . 72.03 110.225 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 114' ' ' LEU . . . . . 0.441 ' HG ' ' O ' ' B' ' 110' ' ' ALA . 45.4 mt -61.11 -48.84 79.81 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.238 -0.437 . . . . 72.05 110.774 -179.81 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 115' ' ' VAL . . . . . 0.572 HG21 HG11 ' B' ' 138' ' ' VAL . 54.5 t -68.08 -36.14 74.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.192 -0.458 . . . . 63.55 110.415 179.585 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -55.8 -55.06 36.95 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-N 115.647 -0.706 . . . . 75.43 110.553 178.561 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 117' ' ' ARG . . . . . 0.484 ' HG2' ' O ' ' B' ' 113' ' ' THR . 15.8 ptm180 -70.72 -43.21 69.4 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 115.196 -0.911 . . . . 70.2 111.451 -176.549 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -64.67 -47.74 77.32 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 121.062 0.458 . . . . 61.11 111.273 -176.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 119' ' ' HIS . . . . . 0.645 ' HA ' ' SG ' ' B' ' 122' ' ' CYS . 40.8 t60 -78.81 13.66 1.62 Allowed 'General case' 0 CA--C 1.533 0.324 0 CA-C-O 120.999 0.428 . . . . 74.31 110.884 -176.476 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 51.5 t-80 -97.68 -22.38 16.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.573 -0.285 . . . . 73.32 110.546 177.193 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 16.8 m -128.78 40.1 0.82 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.419 0 CA-C-N 116.22 -0.446 . . . . 73.14 110.977 -175.633 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 122' ' ' CYS . . . . . 0.657 ' SG ' ' HE2' ' B' ' 58' ' ' PHE . 35.5 m -65.23 152.86 90.82 Favored Pre-proline 0 CA--C 1.535 0.37 0 CA-C-N 115.601 -0.727 . . . . 74.53 111.369 -177.4 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 123' ' ' PRO . . . . . 0.403 ' HG2' ' HD2' ' B' ' 124' ' ' TYR . 17.1 Cg_endo -58.87 -42.71 49.92 Favored 'Trans proline' 0 C--N 1.355 0.88 0 C-N-CA 122.319 2.013 . . . . 65.25 110.379 171.547 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 124' ' ' TYR . . . . . 0.647 ' HE2' ' SG ' ' B' ' 57' ' ' CYS . 3.8 m-85 -75.86 111.33 11.11 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 106.714 -1.587 . . . . 65.35 106.714 169.564 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 125' ' ' SER . . . . . 0.449 ' HB3' ' OD1' ' A' ' 131' ' ' ASN . 26.1 t -49.52 166.93 0.05 OUTLIER 'General case' 0 CA--C 1.54 0.57 0 N-CA-C 114.787 1.403 . . . . 64.23 114.787 -160.84 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 126' ' ' ASN . . . . . 0.519 ' O ' ' HG2' ' B' ' 129' ' ' ARG . 25.3 t-20 -51.11 -31.71 20.2 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 114.066 -1.425 . . . . 74.24 112.366 -172.161 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 127' ' ' ALA . . . . . 0.592 ' O ' ' HB3' ' B' ' 131' ' ' ASN . . . -64.57 6.85 0.18 Allowed 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 122.906 0.483 . . . . 74.33 111.999 179.38 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 128' ' ' THR . . . . . 0.511 ' H ' ' C ' ' B' ' 126' ' ' ASN . 7.5 t -92.4 1.46 57.23 Favored 'General case' 0 N--CA 1.449 -0.482 0 N-CA-C 108.555 -0.905 . . . . 64.4 108.555 -173.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 129' ' ' ARG . . . . . 0.519 ' HG2' ' O ' ' B' ' 126' ' ' ASN . 15.8 ptm180 -130.76 -47.46 1.04 Allowed 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 115.306 -0.861 . . . . 75.21 112.054 -177.388 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 130' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -78.38 -50.15 12.26 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-O 121.117 0.484 . . . . 74.14 111.001 177.34 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 131' ' ' ASN . . . . . 0.592 ' HB3' ' O ' ' B' ' 127' ' ' ALA . 48.0 t-20 -69.44 -43.8 72.58 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 115.384 -0.825 . . . . 75.43 110.407 -176.451 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 132' ' ' VAL . . . . . . . . . . . . . 41.8 t -99.23 131.43 46.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.767 -0.652 . . . . 62.31 110.039 179.446 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 133' ' ' ALA . . . . . . . . . . . . . . . -65.62 97.57 0.32 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.286 0.565 . . . . 72.23 110.627 -179.802 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 134' ' ' VAL . . . . . 0.599 HG23 ' HB ' ' B' ' 97' ' ' VAL . 94.6 t -123.61 118.35 54.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.425 -0.807 . . . . 64.53 110.77 -179.089 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 135' ' ' ARG . . . . . 0.431 ' HB3' ' HG2' ' B' ' 98' ' ' GLU . 18.5 tpp180 -86.2 119.28 26.31 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.771 -0.65 . . . . 74.32 109.485 176.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 68.2 mt -91.0 108.22 19.72 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-O 121.238 0.542 . . . . 72.41 110.136 176.029 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 137' ' ' VAL . . . . . 0.56 ' O ' ' HA ' ' B' ' 100' ' ' ARG . 0.2 OUTLIER -118.11 116.58 51.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-N 115.12 -0.945 . . . . 74.23 110.624 -176.621 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 138' ' ' VAL . . . . . 0.572 HG11 HG21 ' B' ' 115' ' ' VAL . 3.1 m -96.66 138.67 21.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.406 -0.815 . . . . 70.52 110.015 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 139' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.234 0 CA-C-O 118.405 -0.807 . . . . 71.35 110.861 -177.379 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.486 ' HE2' ' HB3' ' B' ' 94' ' ' ALA . 12.9 ptt? . . . . . 0 N--CA 1.482 1.128 0 CA-C-O 120.763 0.316 . . . . 71.43 110.874 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 42.8 t30 -71.61 79.0 0.81 Allowed 'General case' 0 CA--C 1.531 0.219 0 CA-C-N 115.894 -0.594 . . . . 75.52 110.681 177.671 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.493 HG22 ' HB2' ' A' ' 6' ' ' LYS . 34.2 mm -75.55 137.57 22.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.732 -0.667 . . . . 51.02 111.478 175.739 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.674 ' HG ' ' HD3' ' B' ' 87' ' ' PRO . 76.3 mt -96.26 -45.72 6.72 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.591 -0.731 . . . . 74.21 110.238 174.786 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 16.6 t80 -131.95 125.37 31.44 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 116.25 -0.432 . . . . 73.42 109.893 -177.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.493 ' HB2' HG22 ' A' ' 3' ' ' ILE . 32.0 ttmt -137.28 133.36 34.92 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 121.005 0.431 . . . . 62.42 111.258 177.781 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 7.7 t -134.78 148.63 50.27 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-N 115.708 -0.678 . . . . 73.02 109.867 -179.44 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.527 ' HA ' ' HA ' ' B' ' 82' ' ' GLU . . . -114.02 150.53 33.77 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-O 121.096 0.475 . . . . 64.34 111.277 -177.189 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.424 ' HA ' ' HA ' ' A' ' 21' ' ' SER . . . -135.45 121.3 19.76 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.931 -0.577 . . . . 73.03 110.001 175.608 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 88.3 m -98.21 128.07 44.48 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.895 -0.593 . . . . 73.43 110.095 -176.543 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.56 ' HA ' ' O ' ' A' ' 18' ' ' ARG . 97.3 p -112.11 120.62 42.45 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.846 0.355 . . . . 74.42 110.93 178.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 6.1 m -99.55 162.67 12.89 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.417 -0.356 . . . . 72.12 110.398 179.68 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -83.73 74.39 2.52 Favored Glycine 0 CA--C 1.52 0.402 0 C-N-CA 121.067 -0.587 . . . . 62.44 112.637 176.721 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -72.75 -145.54 0.64 Allowed Glycine 0 CA--C 1.525 0.657 0 C-N-CA 121.19 -0.528 . . . . 62.02 112.859 173.387 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 13.8 tpt180 -48.48 -52.27 23.11 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-O 121.002 0.43 . . . . 73.04 110.131 178.004 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.554 ' HB3' ' HA ' ' A' ' 31' ' ' SER . 21.5 t70 -125.52 -42.46 1.95 Allowed 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.006 -1.109 . . . . 74.22 108.006 168.282 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -161.36 162.66 33.98 Favored Glycine 0 N--CA 1.441 -0.98 0 CA-C-N 114.815 -1.084 . . . . 73.12 111.071 171.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.585 ' HA ' ' HA ' ' A' ' 29' ' ' LYS . 4.3 ttm180 -133.56 124.4 26.84 Favored 'General case' 0 C--N 1.315 -0.894 0 N-CA-C 108.783 -0.821 . . . . 73.24 108.783 177.192 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -111.23 123.69 50.71 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.879 0.371 . . . . 71.12 110.146 -176.425 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 92.8 m -136.75 111.56 8.8 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.477 -0.329 . . . . 65.23 110.143 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.532 ' HB3' ' N ' ' A' ' 26' ' ' LEU . 29.8 t -67.03 109.14 2.88 Favored 'General case' 0 C--O 1.246 0.9 0 N-CA-C 107.229 -1.397 . . . . 62.3 107.229 176.186 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.445 ' C ' ' H ' ' A' ' 24' ' ' GLN . 11.1 t60 -56.88 -24.53 52.43 Favored 'General case' 0 CA--C 1.52 -0.201 0 O-C-N 126.065 2.103 . . . . 71.44 111.87 -164.78 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -80.49 23.13 0.52 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.215 -0.448 . . . . 73.43 110.188 179.482 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.445 ' H ' ' C ' ' A' ' 22' ' ' HIS . 30.8 mm-40 63.67 21.14 12.57 Favored 'General case' 0 C--N 1.341 0.222 0 C-N-CA 123.485 0.714 . . . . 72.53 110.404 178.631 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.675 ' HG3' HE22 ' B' ' 48' ' ' GLN . 73.1 mmtt -83.54 -30.14 27.32 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 115.325 -0.852 . . . . 73.44 110.163 -179.024 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.532 ' N ' ' HB3' ' A' ' 21' ' ' SER . 44.6 tp -151.71 148.93 28.49 Favored 'General case' 0 CA--C 1.508 -0.669 0 C-N-CA 120.378 -0.529 . . . . 74.42 111.447 -178.353 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -158.27 94.95 1.33 Allowed 'General case' 0 N--CA 1.444 -0.746 0 CA-C-N 115.489 -0.778 . . . . 74.5 110.475 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 3.4 m -146.36 177.96 1.26 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.431 0 CA-C-N 115.567 -0.742 . . . . 62.12 111.253 177.616 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.585 ' HA ' ' HA ' ' A' ' 18' ' ' ARG . 0.7 OUTLIER -133.05 145.36 50.72 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.489 -0.778 . . . . 62.42 109.832 179.112 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.659 ' HB3' ' HB ' ' A' ' 44' ' ' THR . 0.0 OUTLIER -126.83 164.84 20.5 Favored 'General case' 0 C--O 1.249 1.058 0 CA-C-O 121.172 0.511 . . . . 73.21 111.118 -179.473 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.554 ' HA ' ' HB3' ' A' ' 16' ' ' ASP . 20.0 p -169.53 113.94 0.53 Allowed 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 115.063 -0.972 . . . . 75.34 110.746 -172.335 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -69.33 131.7 90.12 Favored Pre-proline 0 C--O 1.238 0.498 0 CA-C-N 115.777 -0.647 . . . . 52.21 110.196 178.093 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_exo -52.01 148.24 24.16 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 122.655 2.237 . . . . 73.33 112.178 177.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 9.5 mmt180 -66.66 -1.48 3.8 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 116.213 -0.449 . . . . 64.52 111.3 179.727 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 32.1 mm-40 -59.12 -32.32 69.74 Favored 'General case' 0 CA--C 1.529 0.153 0 O-C-N 123.23 0.331 . . . . 75.14 111.057 178.375 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.452 ' N ' HD21 ' A' ' 36' ' ' LEU . 2.1 mm? -100.39 4.2 43.71 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 121.073 0.463 . . . . 73.53 109.953 177.591 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 80.28 34.43 29.39 Favored Glycine 0 N--CA 1.45 -0.376 0 N-CA-C 111.565 -0.614 . . . . 72.22 111.565 -173.065 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -84.4 -113.13 0.64 Allowed Glycine 0 C--N 1.334 0.441 0 C-N-CA 121.253 -0.499 . . . . 73.44 112.787 -177.249 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -106.04 -48.69 3.55 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.958 0.409 . . . . 63.22 110.793 -178.113 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 101.77 80.41 1.48 Allowed Glycine 0 N--CA 1.452 -0.263 0 CA-C-N 115.857 -0.611 . . . . 45.53 111.884 -177.539 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -175.31 163.19 3.03 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 122.782 0.433 . . . . 51.12 109.859 -177.282 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.461 ' HG3' ' N ' ' A' ' 43' ' ' GLY . 17.3 pt-20 -68.99 -47.2 66.14 Favored 'General case' 0 CA--C 1.508 -0.642 0 CA-C-O 122.238 1.018 . . . . 71.23 109.831 177.174 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.461 ' N ' ' HG3' ' A' ' 42' ' ' GLU . . . 23.71 -142.24 0.01 OUTLIER Glycine 0 C--N 1.296 -1.668 0 CA-C-N 111.419 -2.628 . . . . 55.55 114.715 -178.535 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.659 ' HB ' ' HB3' ' A' ' 30' ' ' LEU . 87.6 m -128.81 150.93 50.1 Favored 'General case' 0 N--CA 1.446 -0.634 0 N-CA-C 108.744 -0.836 . . . . 74.01 108.744 171.294 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 6.2 m120 -95.14 131.14 30.65 Favored Pre-proline 0 CA--C 1.534 0.349 0 C-N-CA 122.26 0.224 . . . . 72.33 111.042 -177.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -57.64 -53.72 4.22 Favored 'Trans proline' 0 C--N 1.352 0.715 0 C-N-CA 123.093 2.529 . . . . 63.04 113.155 177.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.75 -44.2 97.01 Favored 'General case' 0 N--CA 1.469 0.524 0 N-CA-C 109.876 -0.416 . . . . 62.13 109.876 -179.455 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.589 ' OE1' ' HB2' ' B' ' 21' ' ' SER . 0.7 OUTLIER -53.12 -45.85 68.5 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.686 -0.688 . . . . 74.41 110.608 171.91 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.515 HD13 ' HA3' ' B' ' 53' ' ' GLY . 2.3 tm? -57.26 -50.11 73.93 Favored 'General case' 0 C--O 1.241 0.611 0 CA-C-N 115.643 -0.708 . . . . 71.11 109.36 -175.608 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 84.0 t80 -59.43 -50.7 72.91 Favored 'General case' 0 C--O 1.222 -0.372 0 CA-C-N 115.804 -0.635 . . . . 65.21 110.372 175.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.11 -45.56 75.52 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 116.442 -0.345 . . . . 52.03 111.734 -176.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -68.93 -49.3 59.24 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-O 121.035 0.445 . . . . 73.32 110.946 -177.716 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.487 ' HA3' HD13 ' B' ' 49' ' ' LEU . . . -64.08 -28.65 73.15 Favored Glycine 0 C--N 1.332 0.338 0 C-N-CA 120.538 -0.839 . . . . 45.35 111.808 178.504 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.759 ' HA ' ' SG ' ' A' ' 57' ' ' CYS . 1.4 t80 -74.85 -47.88 27.96 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 123.221 0.608 . . . . 74.55 110.444 179.589 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.592 ' HB3' ' HB3' ' A' ' 81' ' ' ALA . 45.7 p -62.06 -36.79 82.7 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.196 0.522 . . . . 73.1 109.82 178.407 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.491 ' HB2' HD23 ' B' ' 30' ' ' LEU . . . -69.83 -49.33 53.64 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-N 115.629 -0.714 . . . . 72.41 111.101 177.475 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.759 ' SG ' ' HA ' ' A' ' 54' ' ' TYR . 21.1 p -61.84 -35.96 79.8 Favored 'General case' 0 C--O 1.223 -0.32 0 N-CA-C 110.042 -0.355 . . . . 74.4 110.042 179.477 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 48.7 t80 -52.61 -44.29 65.92 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 115.823 -0.626 . . . . 74.24 109.621 177.308 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.523 HD23 HG22 ' A' ' 79' ' ' VAL . 94.2 mt -64.77 -46.74 80.85 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.394 -0.821 . . . . 74.12 110.524 176.548 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 35.0 t -55.17 -51.45 66.47 Favored 'General case' 0 C--O 1.238 0.495 0 CA-C-O 121.347 0.594 . . . . 74.4 110.437 179.244 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.418 ' O ' HG23 ' A' ' 65' ' ' VAL . . . -58.92 -39.61 82.07 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.722 -0.672 . . . . 64.15 110.1 177.461 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' MET . . . . . 0.712 ' HA ' ' HE2' ' A' ' 62' ' ' MET . 2.9 tpt -60.51 -38.24 83.72 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-N 115.989 -0.55 . . . . 61.32 110.387 177.203 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.518 ' NZ ' ' HA ' ' B' ' 16' ' ' ASP . 2.4 mptm? -61.61 -51.91 66.54 Favored 'General case' 0 N--CA 1.468 0.434 0 N-CA-C 109.888 -0.412 . . . . 62.32 109.888 175.373 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 53.7 t80 -58.79 -44.86 90.82 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 115.905 -0.589 . . . . 70.35 110.738 -178.716 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.418 HG23 ' O ' ' A' ' 61' ' ' ALA . 54.9 t -56.83 -49.7 77.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.164 -0.471 . . . . 51.41 110.172 177.421 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -57.92 -32.65 67.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.073 0.463 . . . . 55.45 110.48 177.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -68.59 -32.22 74.55 Favored Glycine 0 N--CA 1.451 -0.332 0 CA-C-N 115.23 -0.896 . . . . 65.01 111.929 -177.326 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -97.96 -13.13 21.31 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.46 -0.57 . . . . 73.33 109.46 -179.386 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -95.4 -0.8 52.12 Favored 'General case' 0 CA--C 1.517 -0.306 0 CA-C-N 115.351 -0.841 . . . . 73.35 110.909 176.832 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 23.1 mmtm 61.3 24.54 14.63 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.455 -0.793 . . . . 70.5 111.118 171.722 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.507 HE22 HD22 ' A' ' 73' ' ' LEU . 1.1 pt20 -116.6 163.98 15.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.3 -0.409 . . . . 65.11 110.542 -176.628 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 29.8 p -110.84 134.31 52.64 Favored 'General case' 0 C--O 1.237 0.422 0 CA-C-O 121.159 0.504 . . . . 71.13 111.89 -174.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.507 HD22 HE22 ' A' ' 71' ' ' GLN . 71.0 mt -109.58 140.4 22.1 Favored Pre-proline 0 C--N 1.327 -0.383 0 CA-C-N 115.53 -0.759 . . . . 64.52 110.429 176.674 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.552 ' HD2' HD13 ' A' ' 103' ' ' LEU . 23.3 Cg_exo -66.3 132.65 30.15 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.365 2.044 . . . . 75.32 111.21 173.451 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -77.03 -8.44 57.43 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 112.246 0.461 . . . . 74.43 112.246 -175.796 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -90.56 11.98 20.23 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.25 0.548 . . . . 72.44 111.276 -177.429 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.516 ' HB ' HD12 ' A' ' 103' ' ' LEU . 8.3 t -73.58 160.62 31.37 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.011 -0.54 . . . . 74.0 111.514 -178.349 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.552 HG22 ' HA ' ' B' ' 12' ' ' THR . 1.3 p -151.75 150.17 29.88 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.626 -0.716 . . . . 72.13 111.245 -174.815 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.523 HG22 HD23 ' A' ' 59' ' ' LEU . 97.8 t -133.54 135.08 56.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.679 -0.691 . . . . 73.54 109.185 174.885 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 25.5 m -117.88 109.42 16.51 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.682 0.277 . . . . 61.0 110.472 179.58 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.592 ' HB3' ' HB3' ' A' ' 55' ' ' SER . . . -94.73 108.95 20.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 75.0 109.919 178.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.425 ' HA ' ' HA ' ' B' ' 8' ' ' ALA . 24.6 tt0 -105.9 107.67 18.79 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.134 -0.691 . . . . 75.53 109.134 178.712 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.659 HG23 HG22 ' A' ' 97' ' ' VAL . 6.0 p -107.51 137.46 38.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.971 -0.559 . . . . 74.25 111.165 -172.272 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.43 ' HA2' ' HA ' ' B' ' 6' ' ' LYS . . . -134.02 162.2 24.46 Favored Glycine 0 N--CA 1.445 -0.754 0 C-N-CA 121.174 -0.536 . . . . 64.22 112.465 178.353 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -133.44 134.13 57.17 Favored 'Isoleucine or valine' 0 C--O 1.24 0.601 0 N-CA-C 109.132 -0.692 . . . . 71.32 109.132 179.155 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -155.35 169.85 33.33 Favored Glycine 0 N--CA 1.452 -0.27 0 N-CA-C 111.119 -0.792 . . . . 64.2 111.119 178.654 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . 0.457 ' HD3' ' HG ' ' B' ' 4' ' ' LEU . 51.8 Cg_endo -71.08 132.61 21.54 Favored 'Trans proline' 0 N--CA 1.459 -0.542 0 C-N-CA 122.034 1.822 . . . . 75.13 111.518 177.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . 0.467 ' HB2' ' HB2' ' A' ' 94' ' ' ALA . 51.9 t30 -78.82 158.74 28.1 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.452 -0.794 . . . . 63.43 109.618 -179.467 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -59.38 -25.25 64.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.038 0.447 . . . . 74.31 110.824 178.632 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -70.0 -22.36 63.13 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 115.821 -0.627 . . . . 62.35 111.003 177.052 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.54 3.43 43.64 Favored Glycine 0 CA--C 1.519 0.322 0 CA-C-N 115.898 -0.592 . . . . 52.42 112.489 -177.172 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -97.23 -148.96 24.81 Favored Glycine 0 C--N 1.332 0.359 0 N-CA-C 111.176 -0.77 . . . . 74.12 111.176 174.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 55.1 m-85 -111.19 160.48 16.9 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-N 117.07 0.435 . . . . 72.25 109.921 176.343 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.467 ' HB2' ' HB2' ' A' ' 88' ' ' ASN . . . -152.86 145.22 24.02 Favored 'General case' 0 C--O 1.238 0.448 0 CA-C-O 120.703 0.287 . . . . 73.43 110.881 -177.315 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -103.5 138.46 40.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.619 -0.719 . . . . 75.45 110.105 178.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.499 ' HB2' ' SD ' ' B' ' 1' ' ' MET . 35.5 t70 -133.82 110.61 9.88 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.364 -0.835 . . . . 62.1 109.114 -177.236 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.659 HG22 HG23 ' A' ' 83' ' ' VAL . 22.7 t -122.27 110.81 28.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 N-CA-C 112.216 0.451 . . . . 41.42 112.216 -171.698 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.47 ' CD ' ' HZ1' ' B' ' 6' ' ' LYS . 1.5 mp0 -79.22 103.09 8.91 Favored 'General case' 0 C--O 1.236 0.346 0 N-CA-C 109.01 -0.737 . . . . 52.25 109.01 170.617 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 21.3 tp -94.08 107.0 18.96 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.243 -0.651 . . . . 73.33 109.243 -179.806 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.575 ' HA ' ' O ' ' A' ' 137' ' ' VAL . 58.6 mtt180 -99.59 118.99 37.35 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.834 -0.621 . . . . 73.43 110.354 -174.357 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 48.5 t -107.72 105.31 18.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 N-CA-C 110.258 -0.275 . . . . 72.23 110.258 -177.785 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -106.5 101.63 11.08 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.941 0.4 . . . . 73.1 110.889 -178.669 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.654 HD22 HD22 ' A' ' 106' ' ' LEU . 37.4 tp -109.74 123.18 37.06 Favored Pre-proline 0 C--N 1.327 -0.371 0 N-CA-C 108.943 -0.762 . . . . 73.31 108.943 177.654 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . 0.497 ' HD2' HD12 ' A' ' 103' ' ' LEU . 57.3 Cg_endo -71.19 146.84 52.47 Favored 'Trans proline' 0 N--CA 1.461 -0.441 0 C-N-CA 122.266 1.978 . . . . 73.52 112.209 -177.3 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 69.03 14.91 68.88 Favored Glycine 0 CA--C 1.519 0.31 0 CA-C-N 115.304 -0.862 . . . . 54.45 112.73 -178.019 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.654 HD22 HD22 ' A' ' 103' ' ' LEU . 33.3 tp -114.15 141.68 47.2 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-O 121.172 0.51 . . . . 65.03 111.24 -178.346 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 33.9 m-20 -84.27 146.44 27.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.517 -0.765 . . . . 72.42 110.486 172.678 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . 0.439 ' O ' ' HG3' ' A' ' 112' ' ' LYS . . . -63.47 -35.16 79.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.982 0.42 . . . . 74.35 110.491 178.385 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -56.89 -49.78 74.5 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.865 -0.607 . . . . 64.13 110.826 179.257 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . 0.506 ' O ' HG22 ' A' ' 113' ' ' THR . . . -73.45 -35.09 65.7 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-O 121.168 0.508 . . . . 73.25 110.162 177.798 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -55.08 -36.21 65.38 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.684 -0.689 . . . . 54.13 110.682 178.549 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . 0.439 ' HG3' ' O ' ' A' ' 108' ' ' ALA . 98.7 mttt -53.71 -43.87 69.37 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 116.114 -0.494 . . . . 74.23 111.221 177.531 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' THR . . . . . 0.506 HG22 ' O ' ' A' ' 110' ' ' ALA . 1.2 t -80.11 -35.3 37.02 Favored 'General case' 0 CA--C 1.529 0.141 0 CA-C-O 120.643 0.259 . . . . 74.22 110.309 -177.435 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 44.1 mt -64.48 -45.45 87.28 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-O 120.852 0.358 . . . . 61.01 110.353 -179.64 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . 0.504 HG21 HG12 ' A' ' 138' ' ' VAL . 92.3 t -68.01 -32.7 57.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.99 -0.55 . . . . 72.22 110.054 176.79 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . 0.461 ' HA ' ' HD1' ' A' ' 119' ' ' HIS . 13.4 t70 -58.55 -61.49 2.55 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.449 -0.341 . . . . 65.51 110.514 177.548 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . 0.447 ' HG2' ' O ' ' A' ' 113' ' ' THR . 15.5 ptm180 -61.18 -41.38 96.69 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-N 115.524 -0.762 . . . . 65.24 110.759 -178.594 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -59.54 -41.78 90.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.998 -0.546 . . . . 63.41 111.1 179.013 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . 0.536 ' HB2' ' HB2' ' A' ' 125' ' ' SER . 3.0 p-80 -89.54 13.47 13.85 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-O 121.069 0.461 . . . . 74.13 110.861 178.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 54.8 t-80 -108.55 -34.8 6.63 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 116.007 -0.542 . . . . 75.14 110.57 174.314 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . 0.424 HG22 ' SG ' ' A' ' 122' ' ' CYS . 35.3 m -77.36 -32.99 19.23 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.24 0 CA-C-N 116.119 -0.491 . . . . 74.54 112.094 -176.168 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' CYS . . . . . 0.538 ' HB2' ' OG ' ' A' ' 125' ' ' SER . 33.3 m -91.82 131.12 36.38 Favored Pre-proline 0 CA--C 1.535 0.378 0 CA-C-O 120.516 0.198 . . . . 72.12 110.846 -176.12 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -59.86 -37.82 83.64 Favored 'Trans proline' 0 C--N 1.352 0.72 0 C-N-CA 122.412 2.075 . . . . 75.04 111.744 179.536 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . 0.416 ' HE1' ' CG ' ' B' ' 50' ' ' PHE . 92.3 m-85 -61.34 -34.19 74.86 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 115.937 -0.574 . . . . 65.44 110.727 179.596 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' SER . . . . . 0.538 ' OG ' ' HB2' ' A' ' 122' ' ' CYS . 29.4 p -89.0 -24.59 22.34 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.109 -0.496 . . . . 65.33 111.244 -176.01 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' ASN . . . . . 0.52 ' O ' ' HG2' ' A' ' 129' ' ' ARG . 80.4 m-20 -66.53 -31.63 72.48 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.734 0.778 . . . . 73.42 109.067 168.842 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . 0.575 ' HB1' ' HB2' ' B' ' 127' ' ' ALA . . . -71.32 -17.33 62.45 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.03 -0.986 . . . . 54.1 110.979 174.507 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' THR . . . . . 0.586 ' OG1' HG21 ' A' ' 134' ' ' VAL . 0.5 OUTLIER -87.96 -5.88 58.31 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.643 0.735 . . . . 73.21 109.272 -170.088 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . 0.52 ' HG2' ' O ' ' A' ' 126' ' ' ASN . 13.5 ptm180 -119.72 -60.03 1.75 Allowed 'General case' 0 N--CA 1.444 -0.746 0 CA-C-N 115.13 -0.941 . . . . 72.04 110.288 -172.181 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 88.3 m-20 -79.28 -24.69 42.74 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.242 -0.436 . . . . 71.52 111.964 -176.324 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . 0.474 ' HB3' ' O ' ' A' ' 127' ' ' ALA . 0.2 OUTLIER -103.93 -42.08 5.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 72.12 110.934 -174.476 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . 0.404 HG13 ' N ' ' A' ' 133' ' ' ALA . 29.2 t -120.87 158.52 23.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.278 -0.419 . . . . 70.22 110.467 -169.665 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . 0.404 ' N ' HG13 ' A' ' 132' ' ' VAL . . . -93.52 97.54 10.59 Favored 'General case' 0 C--O 1.238 0.482 0 CA-C-O 121.692 0.758 . . . . 45.42 110.391 178.568 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . 0.608 HG23 ' HB ' ' A' ' 97' ' ' VAL . 84.9 t -125.62 116.38 46.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.307 -0.861 . . . . 75.02 110.543 -178.171 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . 0.401 HH11 ' HD3' ' A' ' 135' ' ' ARG . 6.6 tpt180 -76.76 105.0 7.57 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 115.726 -0.67 . . . . 74.34 109.697 178.395 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . 0.411 HD22 ' HA ' ' A' ' 136' ' ' LEU . 43.5 mt -75.38 103.37 5.49 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.281 0.562 . . . . 50.04 110.51 177.765 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . 0.575 ' O ' ' HA ' ' A' ' 100' ' ' ARG . 0.2 OUTLIER -113.9 114.61 47.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 115.096 -0.956 . . . . 74.42 109.767 -178.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . 0.504 HG12 HG21 ' A' ' 115' ' ' VAL . 3.3 m -94.78 138.95 19.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 115.678 -0.692 . . . . 71.15 109.72 -177.378 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.315 -0.907 0 CA-C-N 115.805 -0.634 . . . . 73.13 110.755 -175.701 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.499 ' SD ' ' HB2' ' A' ' 96' ' ' ASP . 27.1 ptm . . . . . 0 C--O 1.234 0.28 0 CA-C-O 120.96 0.41 . . . . 72.42 110.714 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 19.0 t30 -99.38 85.47 3.18 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.612 -0.722 . . . . 61.35 109.732 -179.442 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . 0.509 HG22 ' HB2' ' B' ' 6' ' ' LYS . 31.6 mm -68.37 135.27 28.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 115.176 -0.92 . . . . 72.42 112.564 -177.769 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . 0.457 ' HG ' ' HD3' ' A' ' 87' ' ' PRO . 92.1 mt -85.02 -45.06 12.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.599 -0.728 . . . . 75.25 110.128 174.546 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 5' ' ' TYR . . . . . . . . . . . . . 42.9 t80 -140.86 129.65 22.99 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 116.514 -0.312 . . . . 75.45 110.736 -178.073 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . 0.509 ' HB2' HG22 ' B' ' 3' ' ' ILE . 35.2 ttmt -137.28 136.87 38.42 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-O 120.971 0.415 . . . . 65.01 110.781 178.576 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 9.0 t -131.39 148.11 52.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.944 -0.571 . . . . 73.02 109.942 179.68 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . 0.425 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . . . -107.04 144.05 34.26 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-O 120.904 0.383 . . . . 64.22 111.107 -176.606 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . 0.5 ' HA ' ' HA ' ' B' ' 21' ' ' SER . . . -130.4 122.06 27.08 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.132 -0.485 . . . . 71.2 110.284 177.103 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 8.9 t -100.46 125.32 46.75 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.335 -0.393 . . . . 64.31 110.182 179.336 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 11' ' ' SER . . . . . 0.562 ' HA ' ' O ' ' B' ' 18' ' ' ARG . 13.5 p -124.36 119.51 29.45 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.823 0.344 . . . . 74.14 110.961 -179.877 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 12' ' ' THR . . . . . 0.552 ' HA ' HG22 ' A' ' 78' ' ' THR . 4.0 m -86.92 165.74 15.67 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.928 -0.578 . . . . 73.24 109.76 175.888 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -78.47 -1.92 83.27 Favored Glycine 0 N--CA 1.449 -0.493 0 CA-C-O 119.114 -0.826 . . . . 71.12 113.866 -178.579 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 28.81 -140.84 0.01 OUTLIER Glycine 0 C--N 1.348 1.216 0 O-C-N 124.074 0.514 . . . . 73.4 113.244 -174.474 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 94.7 mtt180 -67.65 -47.73 68.69 Favored 'General case' 0 C--O 1.234 0.24 0 N-CA-C 107.025 -1.472 . . . . 65.14 107.025 159.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 16' ' ' ASP . . . . . 0.526 ' HB3' ' HA ' ' B' ' 31' ' ' SER . 25.5 t0 -125.75 -43.1 1.88 Allowed 'General case' 0 C--O 1.235 0.307 0 CA-C-N 114.684 -1.144 . . . . 65.33 111.068 177.624 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 17' ' ' GLY . . . . . 0.424 ' O ' ' HG3' ' B' ' 29' ' ' LYS . . . -167.4 159.92 33.4 Favored Glycine 0 C--N 1.341 0.834 0 C-N-CA 119.606 -1.283 . . . . 74.22 112.578 170.136 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 18' ' ' ARG . . . . . 0.638 ' HA ' ' HA ' ' B' ' 29' ' ' LYS . 5.2 tmm_? -145.67 100.87 3.49 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 108.702 -0.851 . . . . 74.4 108.702 179.116 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -102.43 124.06 47.32 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.88 0.372 . . . . 64.31 111.093 -171.699 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 91.6 m -134.56 116.17 14.73 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.936 -0.574 . . . . 75.11 110.091 178.6 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 21' ' ' SER . . . . . 0.589 ' HB2' ' OE1' ' A' ' 48' ' ' GLN . 30.0 t -76.61 112.72 13.47 Favored 'General case' 0 C--O 1.246 0.903 0 N-CA-C 107.965 -1.124 . . . . 74.21 107.965 175.115 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 22' ' ' HIS . . . . . 0.435 ' C ' ' H ' ' B' ' 24' ' ' GLN . 49.1 t-80 -55.5 -27.71 50.2 Favored 'General case' 0 C--N 1.344 0.339 0 O-C-N 126.484 2.365 . . . . 73.12 112.307 -169.405 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 41.3 t0 -80.61 18.44 0.95 Allowed 'General case' 0 CA--C 1.536 0.412 0 CA-C-O 121.67 0.748 . . . . 63.54 109.419 178.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . 0.435 ' H ' ' C ' ' B' ' 22' ' ' HIS . 31.0 mm-40 66.45 22.86 10.64 Favored 'General case' 0 CA--C 1.52 -0.179 0 CA-C-N 114.608 -1.178 . . . . 71.43 110.295 176.689 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -80.55 -26.08 38.22 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.482 -0.781 . . . . 41.25 109.889 176.794 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . 0.527 ' N ' ' HB3' ' B' ' 21' ' ' SER . 55.7 tp -152.35 150.1 29.35 Favored 'General case' 0 C--N 1.344 0.33 0 C-N-CA 119.85 -0.74 . . . . 73.34 111.512 -177.892 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -162.33 91.01 0.76 Allowed 'General case' 0 N--CA 1.467 0.377 0 O-C-N 123.602 0.564 . . . . 53.33 110.675 175.422 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . 0.435 HG21 HD13 ' B' ' 26' ' ' LEU . 3.7 m -150.8 178.16 0.6 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.681 0 CA-C-O 121.22 0.533 . . . . 74.12 111.647 178.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.638 ' HA ' ' HA ' ' B' ' 18' ' ' ARG . 13.7 ttmt -128.34 145.61 51.02 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.381 -0.827 . . . . 74.12 109.801 177.316 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . 0.828 ' HA ' ' H ' ' B' ' 44' ' ' THR . 0.0 OUTLIER -128.79 157.86 40.29 Favored 'General case' 0 C--O 1.26 1.646 0 CA-C-O 121.567 0.699 . . . . 72.32 111.41 179.066 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 31' ' ' SER . . . . . 0.526 ' HA ' ' HB3' ' B' ' 16' ' ' ASP . 48.1 m -156.08 124.55 5.86 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 114.098 -1.41 . . . . 62.35 110.498 -178.713 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.22 128.92 82.73 Favored Pre-proline 0 C--O 1.239 0.503 0 CA-C-N 115.707 -0.679 . . . . 75.13 110.548 179.588 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 33' ' ' PRO . . . . . 0.685 ' HG3' HD22 ' B' ' 45' ' ' ASN . 18.4 Cg_endo -55.35 131.25 45.15 Favored 'Trans proline' 0 C--N 1.351 0.672 0 C-N-CA 122.782 2.321 . . . . 72.21 111.092 -179.122 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 34' ' ' ARG . . . . . 0.745 ' HB2' ' HA3' ' B' ' 40' ' ' GLY . 9.4 ttt180 -74.15 -3.13 27.83 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.601 -0.272 . . . . 71.43 111.102 -173.28 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -57.01 -31.04 64.71 Favored 'General case' 0 CA--C 1.532 0.25 0 CA-C-N 115.932 -0.576 . . . . 72.42 110.625 179.671 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . 0.513 ' HG ' HD13 ' B' ' 85' ' ' ILE . 1.4 mm? -98.18 7.88 45.62 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 115.705 -0.68 . . . . 63.52 110.619 -177.196 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 79.47 59.31 2.71 Favored Glycine 0 N--CA 1.452 -0.24 0 N-CA-C 110.901 -0.88 . . . . 51.22 110.901 -172.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -122.72 -129.41 3.53 Favored Glycine 0 C--N 1.331 0.28 0 C-N-CA 121.581 -0.342 . . . . 64.12 112.436 -174.67 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -94.47 -50.38 5.24 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.982 0.42 . . . . 71.25 110.123 -174.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 40' ' ' GLY . . . . . 0.745 ' HA3' ' HB2' ' B' ' 34' ' ' ARG . . . 62.34 85.02 0.05 OUTLIER Glycine 0 N--CA 1.447 -0.62 0 CA-C-N 115.526 -0.761 . . . . 53.13 112.39 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . 0.421 ' HB1' ' CB ' ' B' ' 31' ' ' SER . . . -144.62 -171.97 3.72 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.887 0.375 . . . . 75.21 111.216 -176.88 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -81.93 9.22 8.62 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-N 115.62 -0.718 . . . . 74.14 111.43 -179.384 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -83.78 -175.4 50.87 Favored Glycine 0 C--N 1.335 0.476 0 C-N-CA 121.349 -0.453 . . . . 72.12 112.493 179.27 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 44' ' ' THR . . . . . 0.828 ' H ' ' HA ' ' B' ' 30' ' ' LEU . 18.1 p -102.02 173.9 6.18 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 122.499 0.319 . . . . 70.51 111.626 -177.511 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 45' ' ' ASN . . . . . 0.685 HD22 ' HG3' ' B' ' 33' ' ' PRO . 3.0 m120 -86.59 122.18 71.88 Favored Pre-proline 0 CA--C 1.538 0.508 0 CA-C-N 116.062 -0.517 . . . . 71.14 110.761 -179.826 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 46' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -56.21 -54.13 4.4 Favored 'Trans proline' 0 CA--C 1.54 0.785 0 C-N-CA 123.036 2.491 . . . . 54.41 113.315 178.368 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.68 -37.79 87.83 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-O 120.811 0.338 . . . . 73.03 110.308 -179.728 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . 0.675 HE22 ' HG3' ' A' ' 25' ' ' LYS . 35.2 tt0 -58.15 -42.8 86.68 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.859 -0.61 . . . . 65.22 110.282 174.599 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 49' ' ' LEU . . . . . 0.487 HD13 ' HA3' ' A' ' 53' ' ' GLY . 3.3 tm? -60.62 -49.19 78.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.362 -0.835 . . . . 73.15 109.676 179.257 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 50' ' ' PHE . . . . . 0.416 ' CG ' ' HE1' ' A' ' 124' ' ' TYR . 66.3 t80 -58.24 -45.13 88.32 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-N 116.418 -0.355 . . . . 74.53 110.671 176.563 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . 0.405 ' HB3' ' CG1' ' B' ' 83' ' ' VAL . . . -54.66 -52.96 60.72 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.212 -0.449 . . . . 63.22 111.342 178.294 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -57.8 -46.97 83.89 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.951 -0.568 . . . . 74.31 111.167 179.566 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . 0.515 ' HA3' HD13 ' A' ' 49' ' ' LEU . . . -65.09 -38.35 95.24 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.98 -0.629 . . . . 73.22 112.212 179.69 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 54' ' ' TYR . . . . . 0.738 ' HA ' ' SG ' ' B' ' 57' ' ' CYS . 2.5 t80 -71.33 -41.49 69.75 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 122.418 0.287 . . . . 73.43 110.519 -177.768 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 55' ' ' SER . . . . . 0.5 ' HB3' ' HB2' ' B' ' 81' ' ' ALA . 21.1 p -65.08 -43.36 92.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.05 0.452 . . . . 71.55 110.124 177.785 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.05 -49.24 76.78 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.771 -0.649 . . . . 72.32 110.801 177.019 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 57' ' ' CYS . . . . . 0.738 ' SG ' ' HA ' ' B' ' 54' ' ' TYR . 21.9 p -65.81 -36.03 82.34 Favored 'General case' 0 C--O 1.225 -0.206 0 CA-C-N 116.282 -0.417 . . . . 72.4 110.5 -178.59 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 32.5 t80 -63.16 -41.1 99.19 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-O 121.197 0.522 . . . . 61.11 109.613 -179.499 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 6.5 tt -64.65 -45.83 85.1 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 115.635 -0.711 . . . . 73.31 109.252 176.65 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 60' ' ' SER . . . . . 0.511 ' HA ' ' HG2' ' B' ' 63' ' ' LYS . 21.3 t -61.09 -34.78 75.47 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-O 121.475 0.655 . . . . 73.23 110.048 177.14 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.03 -42.92 88.99 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.88 -0.6 . . . . 44.1 110.057 178.398 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 62' ' ' MET . . . . . 0.434 ' HE2' HD11 ' B' ' 73' ' ' LEU . 62.7 mmm -63.62 -42.65 98.18 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.373 -0.376 . . . . 71.0 111.688 179.08 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . 0.511 ' HG2' ' HA ' ' B' ' 60' ' ' SER . 21.3 ptmt -67.75 -37.55 82.28 Favored 'General case' 0 N--CA 1.465 0.29 0 C-N-CA 120.643 -0.423 . . . . 72.03 110.303 179.514 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 67.5 t80 -66.89 -46.02 76.23 Favored 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 110.056 -0.349 . . . . 73.11 110.056 177.268 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 25.4 t -55.46 -46.82 78.87 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.102 0 CA-C-N 116.106 -0.497 . . . . 75.05 110.123 175.585 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -57.54 -33.55 68.23 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.809 -0.632 . . . . 74.13 110.424 177.561 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -67.31 -32.0 78.55 Favored Glycine 0 N--CA 1.452 -0.262 0 CA-C-N 115.434 -0.803 . . . . 75.04 112.323 -178.299 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 13.5 pt20 -97.4 -14.86 20.96 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 121.362 0.601 . . . . 64.5 109.522 -179.46 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -89.72 -3.47 58.18 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.278 -0.874 . . . . 65.21 110.145 175.521 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 62.01 35.37 16.09 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 115.662 -0.699 . . . . 73.12 110.991 176.54 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -128.9 166.25 19.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.19 -0.913 . . . . 74.24 109.815 177.209 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 64.0 p -123.31 144.05 49.68 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.014 0.435 . . . . 74.12 110.588 178.107 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . 0.434 HD11 ' HE2' ' B' ' 62' ' ' MET . 96.6 mt -109.56 144.44 29.86 Favored Pre-proline 0 C--N 1.324 -0.537 0 CA-C-N 115.66 -0.7 . . . . 75.15 110.358 178.122 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 74' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_endo -57.06 138.23 85.39 Favored 'Trans proline' 0 C--N 1.348 0.551 0 C-N-CA 122.951 2.434 . . . . 74.32 112.525 178.166 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -71.82 -20.25 61.87 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 121.485 0.66 . . . . 71.53 111.458 -179.284 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -87.69 18.25 4.15 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.246 -0.888 . . . . 60.22 111.603 -171.295 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 77' ' ' THR . . . . . 0.533 ' HG1' HD22 ' B' ' 103' ' ' LEU . 3.5 t -84.67 167.47 16.16 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.017 0.436 . . . . 73.25 111.922 -177.585 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 78' ' ' THR . . . . . 0.436 ' HA ' ' O ' ' A' ' 11' ' ' SER . 1.1 p -151.7 149.29 28.92 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 115.533 -0.758 . . . . 71.23 110.439 177.793 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 73.7 t -131.98 118.22 36.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 N-CA-C 109.489 -0.56 . . . . 54.24 109.489 175.242 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 19.0 m -105.68 113.2 26.62 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-O 120.837 0.351 . . . . 75.2 110.89 -177.472 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 81' ' ' ALA . . . . . 0.5 ' HB2' ' HB3' ' B' ' 55' ' ' SER . . . -93.18 110.74 22.25 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.323 -0.621 . . . . 73.43 109.323 176.082 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 82' ' ' GLU . . . . . 0.527 ' HA ' ' HA ' ' A' ' 8' ' ' ALA . 28.6 tt0 -108.13 109.07 20.39 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.77 -0.455 . . . . 71.23 109.77 -178.758 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . 0.405 ' CG1' ' HB3' ' B' ' 51' ' ' ALA . 18.3 m -101.79 145.9 10.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.025 -0.534 . . . . 71.44 110.813 -177.079 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 84' ' ' GLY . . . . . . . . . . . . . . . -139.16 155.44 23.93 Favored Glycine 0 N--CA 1.442 -0.961 0 N-CA-C 111.252 -0.739 . . . . 52.45 111.252 178.037 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 85' ' ' ILE . . . . . 0.537 HD11 ' CD2' ' B' ' 93' ' ' PHE . 0.0 OUTLIER -132.86 130.72 59.03 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 N-CA-C 109.133 -0.692 . . . . 73.1 109.133 -178.674 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -134.81 169.85 23.04 Favored Glycine 0 N--CA 1.452 -0.249 0 CA-C-N 115.25 -0.886 . . . . 52.3 111.009 179.063 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 87' ' ' PRO . . . . . 0.674 ' HD3' ' HG ' ' A' ' 4' ' ' LEU . 79.4 Cg_endo -89.97 139.18 3.09 Favored 'Trans proline' 0 N--CA 1.452 -0.929 0 C-N-CA 122.577 2.185 . . . . 70.05 112.756 -175.282 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 88' ' ' ASN . . . . . . . . . . . . . 55.0 t-20 -102.42 133.22 47.71 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 108.445 -0.946 . . . . 72.3 108.445 174.728 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -58.67 -21.37 54.21 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.148 0.499 . . . . 71.21 110.879 -178.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -67.21 -20.03 65.64 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.554 -0.748 . . . . 74.05 110.789 179.634 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.67 35.33 3.3 Favored Glycine 0 N--CA 1.454 -0.107 0 CA-C-N 115.77 -0.65 . . . . 72.2 112.678 178.246 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . -143.63 175.78 23.4 Favored Glycine 0 N--CA 1.446 -0.678 0 N-CA-C 111.236 -0.746 . . . . 70.13 111.236 177.299 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 93' ' ' PHE . . . . . 0.537 ' CD2' HD11 ' B' ' 85' ' ' ILE . 34.7 m-85 -98.19 138.62 35.19 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.666 -0.494 . . . . 73.12 109.666 178.851 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 94' ' ' ALA . . . . . 0.486 ' HB3' ' HE2' ' A' ' 1' ' ' MET . . . -118.49 136.93 53.53 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.869 -0.605 . . . . 62.21 109.501 -176.16 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -103.48 144.18 31.75 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.371 0.605 . . . . 74.21 111.572 -174.131 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 96' ' ' ASP . . . . . 0.442 ' CB ' HD12 ' A' ' 3' ' ' ILE . 30.5 t70 -136.48 110.36 8.19 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 114.667 -1.151 . . . . 73.53 108.642 179.816 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 97' ' ' VAL . . . . . 0.508 ' O ' ' HA ' ' B' ' 134' ' ' VAL . 2.4 p -125.05 123.67 65.97 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.007 0 CA-C-O 121.305 0.574 . . . . 65.34 111.175 -174.19 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 98' ' ' GLU . . . . . 0.407 ' CG ' ' HB3' ' B' ' 82' ' ' GLU . 9.2 pt-20 -108.64 124.78 51.04 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.715 -0.675 . . . . 74.42 109.919 178.318 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 94.0 mt -94.98 107.58 19.62 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.626 -0.715 . . . . 75.14 109.493 178.591 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 100' ' ' ARG . . . . . 0.562 ' HA ' ' O ' ' B' ' 137' ' ' VAL . 80.0 ttt180 -99.53 111.51 23.85 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.072 -0.513 . . . . 70.24 110.036 -176.599 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 101' ' ' VAL . . . . . 0.445 HG21 HG21 ' B' ' 115' ' ' VAL . 96.7 t -103.62 109.44 27.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.045 -0.525 . . . . 60.12 110.902 -173.018 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 102' ' ' ALA . . . . . 0.508 ' HA ' ' HB3' ' B' ' 139' ' ' ALA . . . -107.32 101.14 10.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.037 0.446 . . . . 53.32 110.468 178.482 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 103' ' ' LEU . . . . . 0.533 HD22 ' HG1' ' B' ' 77' ' ' THR . 2.3 mm? -113.6 120.23 39.92 Favored Pre-proline 0 C--N 1.326 -0.452 0 CA-C-N 115.705 -0.679 . . . . 72.24 109.307 177.323 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 104' ' ' PRO . . . . . 0.434 ' HD2' HD13 ' B' ' 103' ' ' LEU . 55.7 Cg_endo -71.47 147.42 52.12 Favored 'Trans proline' 0 N--CA 1.457 -0.627 0 C-N-CA 122.093 1.862 . . . . 74.24 111.817 179.272 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 105' ' ' GLY . . . . . . . . . . . . . . . 67.59 15.22 66.0 Favored Glycine 0 CA--C 1.522 0.521 0 CA-C-N 115.44 -0.8 . . . . 72.34 113.243 -178.459 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 106' ' ' LEU . . . . . 0.426 HD22 ' HB2' ' B' ' 103' ' ' LEU . 28.7 tp -118.71 137.52 53.27 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-O 121.041 0.448 . . . . 65.44 111.037 -178.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -79.05 140.56 37.88 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.475 -0.784 . . . . 63.12 110.682 176.319 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 108' ' ' ALA . . . . . 0.44 ' O ' ' HG3' ' B' ' 112' ' ' LYS . . . -57.49 -37.44 72.95 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.476 -0.329 . . . . 74.55 111.144 178.37 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -57.54 -51.66 68.56 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.099 -0.501 . . . . 64.51 111.001 -179.71 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -69.22 -37.61 78.13 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.16 -0.473 . . . . 72.03 110.32 177.735 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 111' ' ' ALA . . . . . 0.475 ' O ' HG23 ' B' ' 115' ' ' VAL . . . -56.54 -38.95 72.59 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.477 -0.783 . . . . 64.14 110.945 -178.89 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 112' ' ' LYS . . . . . 0.44 ' HG3' ' O ' ' B' ' 108' ' ' ALA . 57.0 mtpt -57.01 -43.35 81.71 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.382 0.61 . . . . 74.45 110.216 178.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 113' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -73.83 -35.15 64.8 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.259 -0.882 . . . . 72.03 110.791 -178.055 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 114' ' ' LEU . . . . . 0.413 HD12 HD21 ' B' ' 106' ' ' LEU . 82.7 mt -65.77 -45.71 81.47 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-O 120.932 0.396 . . . . 72.05 109.964 179.358 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 115' ' ' VAL . . . . . 0.488 HG22 HG12 ' B' ' 138' ' ' VAL . 62.1 t -67.06 -36.79 77.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.997 -0.547 . . . . 63.55 110.037 177.677 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -55.76 -57.69 10.95 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.032 -0.531 . . . . 75.43 110.412 178.255 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 117' ' ' ARG . . . . . . . . . . . . . 10.3 ptm180 -66.99 -39.07 87.05 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.929 -0.578 . . . . 70.2 110.827 -177.067 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 118' ' ' ALA . . . . . 0.428 ' O ' HG22 ' B' ' 121' ' ' VAL . . . -62.81 -31.81 72.88 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.159 0.504 . . . . 61.11 110.766 178.312 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 119' ' ' HIS . . . . . 0.451 ' NE2' HG23 ' B' ' 128' ' ' THR . 44.7 t60 -77.84 5.63 9.19 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 116.015 -0.539 . . . . 74.31 110.652 -179.874 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 62.8 m80 -102.58 -31.73 10.26 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 116.08 -0.509 . . . . 73.32 110.576 174.342 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 121' ' ' VAL . . . . . 0.428 HG22 ' O ' ' B' ' 118' ' ' ALA . 24.7 m -83.1 -10.7 11.94 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.288 0 CA-C-N 116.486 -0.325 . . . . 73.14 111.267 -176.25 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 122' ' ' CYS . . . . . 0.626 ' SG ' HG22 ' B' ' 128' ' ' THR . 18.3 p -65.42 118.68 52.89 Favored Pre-proline 0 CA--C 1.533 0.321 0 N-CA-C 109.875 -0.417 . . . . 74.53 109.875 176.556 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 123' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -53.6 -33.2 67.69 Favored 'Trans proline' 0 C--N 1.353 0.776 0 C-N-CA 123.116 2.544 . . . . 65.25 113.212 -174.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 124' ' ' TYR . . . . . 0.421 ' N ' ' CD2' ' B' ' 124' ' ' TYR . 4.3 m-30 -88.03 46.23 1.36 Allowed 'General case' 0 CA--C 1.536 0.432 0 CA-C-O 121.663 0.745 . . . . 65.35 109.089 -178.494 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 125' ' ' SER . . . . . 0.648 ' O ' HG21 ' B' ' 128' ' ' THR . 12.0 p -58.45 -56.17 25.53 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 114.59 -1.186 . . . . 64.23 113.396 -170.72 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 126' ' ' ASN . . . . . . . . . . . . . 73.3 m-20 -57.44 -42.99 83.54 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.469 0.652 . . . . 74.24 110.033 -175.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 127' ' ' ALA . . . . . 0.575 ' HB2' ' HB1' ' A' ' 127' ' ' ALA . . . -83.1 -0.12 47.63 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 114.909 -1.041 . . . . 74.33 112.086 -174.894 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 128' ' ' THR . . . . . 0.648 HG21 ' O ' ' B' ' 125' ' ' SER . 1.7 t -106.24 7.11 31.3 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.288 0.566 . . . . 64.4 109.503 -176.138 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 129' ' ' ARG . . . . . 0.437 ' HG2' ' O ' ' B' ' 125' ' ' SER . 14.7 ptm180 -150.16 -60.11 0.2 Allowed 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 115.862 -0.608 . . . . 75.21 112.367 178.38 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 130' ' ' ASN . . . . . . . . . . . . . 88.5 m-20 -78.88 -32.76 46.0 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 112.044 0.387 . . . . 74.14 112.044 -169.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 131' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -90.98 -36.8 13.87 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.458 -0.337 . . . . 75.43 110.469 -179.106 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 132' ' ' VAL . . . . . . . . . . . . . 55.1 t -121.02 131.71 72.32 Favored 'Isoleucine or valine' 0 C--O 1.233 0.21 0 N-CA-C 110.087 -0.338 . . . . 62.31 110.087 -174.022 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 133' ' ' ALA . . . . . . . . . . . . . . . -70.9 103.38 2.62 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 116.093 -0.503 . . . . 72.23 110.629 -178.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 134' ' ' VAL . . . . . 0.508 ' HA ' ' O ' ' B' ' 97' ' ' VAL . 31.4 t -114.3 123.83 70.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.756 -0.656 . . . . 64.53 110.729 -179.522 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 12.2 tpt180 -98.84 124.75 43.95 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.638 -0.504 . . . . 74.32 109.638 175.669 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 71.4 mt -90.67 112.91 24.84 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.227 0.537 . . . . 72.41 110.64 178.123 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 137' ' ' VAL . . . . . 0.562 ' O ' ' HA ' ' B' ' 100' ' ' ARG . 0.3 OUTLIER -119.77 113.83 42.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.17 -0.923 . . . . 74.23 110.075 -178.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 138' ' ' VAL . . . . . 0.488 HG12 HG22 ' B' ' 115' ' ' VAL . 4.0 m -103.15 138.67 26.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.623 -0.717 . . . . 70.52 110.151 -177.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 139' ' ' ALA . . . . . 0.508 ' HB3' ' HA ' ' B' ' 102' ' ' ALA . . . . . . . . 0 C--O 1.251 1.134 0 CA-C-O 118.589 -0.72 . . . . 71.35 110.966 -175.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.435 ' SD ' ' HB2' ' B' ' 96' ' ' ASP . 28.7 ptm . . . . . 0 N--CA 1.483 1.187 0 CA-C-O 120.804 0.335 . . . . 71.43 110.408 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.459 ' O ' ' HD2' ' B' ' 87' ' ' PRO . 38.7 t30 -101.91 84.74 2.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.11 -0.495 . . . . 75.52 109.713 178.572 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.498 HG21 ' HB2' ' A' ' 6' ' ' LYS . 26.3 mm -69.01 127.27 30.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.801 -0.636 . . . . 51.02 111.24 178.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.558 ' HG ' ' HD3' ' B' ' 87' ' ' PRO . 85.8 mt -86.17 -41.67 14.49 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.628 -0.715 . . . . 74.21 110.068 175.677 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 41.1 t80 -139.4 131.08 27.34 Favored 'General case' 0 C--O 1.221 -0.442 0 CA-C-N 116.168 -0.469 . . . . 73.42 110.447 -178.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.498 ' HB2' HG21 ' A' ' 3' ' ' ILE . 31.4 ttmt -140.8 137.1 33.08 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.845 0.355 . . . . 62.42 110.676 176.071 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.462 HG23 ' NE2' ' B' ' 48' ' ' GLN . 15.0 t -141.6 143.49 33.71 Favored 'General case' 0 C--O 1.24 0.584 0 CA-C-N 115.868 -0.605 . . . . 73.02 110.383 179.363 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.524 ' HA ' ' HA ' ' B' ' 82' ' ' GLU . . . -110.19 140.51 44.23 Favored 'General case' 0 N--CA 1.466 0.356 0 N-CA-C 112.401 0.519 . . . . 64.34 112.401 -173.116 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.422 ' HA ' ' H ' ' A' ' 22' ' ' HIS . . . -122.1 125.43 46.18 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.624 -0.716 . . . . 73.03 110.458 178.33 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 69.2 m -98.13 123.39 42.16 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.258 -0.428 . . . . 73.43 110.467 178.591 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 10.7 p -121.33 130.91 53.89 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.129 0.49 . . . . 74.42 110.674 177.297 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.5 m -113.41 154.96 26.1 Favored 'General case' 0 C--O 1.242 0.674 0 CA-C-N 116.3 -0.409 . . . . 72.12 110.65 -179.773 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -85.77 74.6 2.4 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 121.149 -0.548 . . . . 62.44 111.779 177.719 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -63.23 -107.72 0.01 OUTLIER Glycine 0 C--N 1.334 0.46 0 C-N-CA 121.482 -0.39 . . . . 62.02 112.42 178.143 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 47.5 mtt180 -85.87 -55.66 3.85 Favored 'General case' 0 C--N 1.329 -0.284 0 O-C-N 122.238 -0.566 . . . . 73.04 109.678 172.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.554 ' HB3' ' HA ' ' A' ' 31' ' ' SER . 20.1 t70 -125.85 -42.76 1.88 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.118 -0.492 . . . . 74.22 110.289 175.801 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -164.49 143.99 9.01 Favored Glycine 0 C--N 1.345 1.03 0 C-N-CA 119.589 -1.291 . . . . 73.12 112.598 165.755 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 3.0 tmt_? -129.55 111.1 12.4 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.013 -0.736 . . . . 73.24 109.013 175.714 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.602 ' HB2' ' HB3' ' B' ' 52' ' ' ALA . . . -113.58 124.17 51.71 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.731 0.3 . . . . 71.12 111.118 -174.049 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 63.4 m -134.55 117.72 16.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 65.23 110.967 -177.684 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.572 ' HB3' ' N ' ' A' ' 26' ' ' LEU . 25.4 t -68.51 106.96 2.74 Favored 'General case' 0 C--O 1.244 0.79 0 N-CA-C 106.509 -1.663 . . . . 62.3 106.509 172.247 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.437 ' C ' ' H ' ' A' ' 24' ' ' GLN . 48.6 t60 -68.11 -11.8 59.74 Favored 'General case' 0 CA--C 1.519 -0.23 0 O-C-N 125.197 1.561 . . . . 71.44 111.159 -165.272 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.496 ' HB3' ' HE2' ' A' ' 25' ' ' LYS . 23.5 t70 -80.23 14.13 2.06 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.025 -0.731 . . . . 73.43 109.025 174.133 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.437 ' H ' ' C ' ' A' ' 22' ' ' HIS . 28.6 mm-40 69.92 25.31 4.95 Favored 'General case' 0 C--N 1.341 0.222 0 CA-C-N 114.853 -1.067 . . . . 72.53 110.787 175.716 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.496 ' HE2' ' HB3' ' A' ' 23' ' ' ASP . 53.9 mtmt -98.5 -19.25 17.75 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.697 -0.683 . . . . 73.44 111.917 -179.421 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.572 ' N ' ' HB3' ' A' ' 21' ' ' SER . 48.5 tp -151.22 145.59 25.49 Favored 'General case' 0 C--O 1.22 -0.468 0 C-N-CA 120.055 -0.658 . . . . 74.42 110.898 178.023 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -156.21 97.39 1.77 Allowed 'General case' 0 C--O 1.234 0.263 0 O-C-N 123.516 0.51 . . . . 74.5 109.917 175.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 3.7 m -144.33 178.11 1.8 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.375 0 CA-C-O 121.566 0.698 . . . . 62.12 112.057 179.581 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 20.1 ttmt -141.67 140.28 33.18 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 114.834 -1.076 . . . . 62.42 109.686 -178.762 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.721 ' HA ' ' H ' ' A' ' 44' ' ' THR . 0.0 OUTLIER -126.09 162.86 24.36 Favored 'General case' 0 C--O 1.257 1.494 0 CA-C-N 116.251 -0.431 . . . . 73.21 110.751 179.546 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.554 ' HA ' ' HB3' ' A' ' 16' ' ' ASP . 52.5 m -157.77 134.17 9.64 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 115.126 -0.943 . . . . 75.34 110.998 -176.488 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.91 125.72 87.23 Favored Pre-proline 0 C--O 1.239 0.526 0 CA-C-N 115.761 -0.654 . . . . 52.21 110.497 175.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.595 ' HG2' HD23 ' A' ' 36' ' ' LEU . 18.7 Cg_endo -59.43 143.27 99.75 Favored 'Trans proline' 0 C--N 1.35 0.617 0 C-N-CA 122.811 2.341 . . . . 73.33 111.761 -179.344 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.443 ' HG2' ' HA3' ' A' ' 40' ' ' GLY . 0.7 OUTLIER -74.92 -9.45 58.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.319 -0.401 . . . . 64.52 110.661 -176.876 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -60.52 -27.55 67.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.06 -0.518 . . . . 75.14 110.519 178.124 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.595 HD23 ' HG2' ' A' ' 33' ' ' PRO . 2.4 mm? -104.92 13.02 31.78 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 116.08 -0.509 . . . . 73.53 110.437 178.759 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 75.08 31.95 57.0 Favored Glycine 0 C--N 1.332 0.345 0 C-N-CA 121.09 -0.576 . . . . 72.22 111.719 -175.488 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -82.09 -130.5 1.32 Allowed Glycine 0 C--N 1.334 0.42 0 C-N-CA 121.486 -0.388 . . . . 73.44 112.878 -178.287 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -95.87 -39.87 9.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.099 0.476 . . . . 63.22 110.344 -174.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.443 ' HA3' ' HG2' ' A' ' 34' ' ' ARG . . . 70.72 90.24 0.09 OUTLIER Glycine 0 N--CA 1.447 -0.624 0 CA-C-N 115.564 -0.744 . . . . 45.53 112.465 -177.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -163.15 153.17 15.76 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.776 -0.454 . . . . 51.12 109.776 -178.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -73.73 76.04 1.56 Allowed 'General case' 0 CA--C 1.533 0.3 0 CA-C-O 121.75 0.786 . . . . 71.23 110.484 179.526 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -132.31 -152.92 7.19 Favored Glycine 0 N--CA 1.453 -0.208 0 CA-C-N 115.134 -0.939 . . . . 55.55 111.764 179.467 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.721 ' H ' ' HA ' ' A' ' 30' ' ' LEU . 83.3 m -117.24 156.83 27.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.627 0.214 . . . . 74.01 110.533 -177.906 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 46.2 m-80 -84.22 119.5 73.3 Favored Pre-proline 0 C--O 1.235 0.309 0 N-CA-C 109.739 -0.467 . . . . 72.33 109.739 173.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -53.58 -44.24 50.75 Favored 'Trans proline' 0 C--N 1.349 0.596 0 C-N-CA 122.82 2.346 . . . . 63.04 112.361 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -65.48 -34.44 78.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.839 -0.619 . . . . 62.13 110.277 -177.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.455 ' HA ' HG13 ' A' ' 83' ' ' VAL . 1.0 OUTLIER -67.49 -35.81 79.86 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.828 -0.624 . . . . 74.41 109.358 175.423 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.5 HD12 ' HA3' ' B' ' 53' ' ' GLY . 3.3 tm? -63.16 -46.55 86.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.42 -0.809 . . . . 71.11 109.722 179.724 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 74.3 t80 -63.51 -46.13 87.5 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 116.57 -0.286 . . . . 65.21 110.884 176.45 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.464 ' HB3' ' HB2' ' A' ' 81' ' ' ALA . . . -55.13 -53.21 58.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.349 -0.387 . . . . 52.03 111.103 -179.861 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.98 -35.87 81.77 Favored 'General case' 0 C--O 1.237 0.435 0 CA-C-N 116.004 -0.544 . . . . 73.32 110.643 -179.011 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -66.66 -40.46 94.0 Favored Glycine 0 N--CA 1.447 -0.586 0 CA-C-N 115.602 -0.726 . . . . 45.35 112.115 178.312 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -70.77 -40.96 72.31 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 110.072 -0.344 . . . . 74.55 110.072 -178.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 17.9 p -64.41 -47.62 78.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.924 0.392 . . . . 73.1 110.326 178.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.456 ' HB2' ' HB1' ' B' ' 19' ' ' ALA . . . -65.57 -39.48 91.71 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 116.118 -0.492 . . . . 72.41 110.846 178.378 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 54.0 t -66.89 -36.37 82.14 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.768 -0.651 . . . . 74.4 110.637 178.56 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 37.6 t80 -71.76 -33.87 69.0 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-O 121.024 0.44 . . . . 74.24 110.027 -178.213 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.417 HD21 HG23 ' A' ' 77' ' ' THR . 1.5 tm? -63.55 -51.81 63.78 Favored 'General case' 0 C--O 1.234 0.28 0 N-CA-C 109.127 -0.694 . . . . 74.12 109.127 177.4 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.417 ' HA ' ' HE3' ' A' ' 63' ' ' LYS . 7.8 p -65.5 -36.06 82.73 Favored 'General case' 0 C--O 1.237 0.424 0 CA-C-N 115.794 -0.639 . . . . 74.4 110.75 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -62.99 -51.51 66.56 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 115.998 -0.547 . . . . 64.15 110.699 177.341 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 52.9 mmm -59.17 -33.02 70.43 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 120.794 0.331 . . . . 61.32 110.823 177.631 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.54 ' HE2' ' HA ' ' B' ' 16' ' ' ASP . 22.1 ttpp -64.17 -43.4 95.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 62.32 110.18 175.397 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 90.8 t80 -63.84 -43.59 95.7 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-O 121.056 0.455 . . . . 70.35 109.978 176.147 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 53.9 t -56.82 -45.37 83.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.894 -0.594 . . . . 51.41 110.145 175.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -61.9 -29.05 69.95 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.774 -0.648 . . . . 55.45 109.875 177.543 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -72.55 -31.74 62.68 Favored Glycine 0 N--CA 1.452 -0.267 0 CA-C-N 115.326 -0.852 . . . . 65.01 112.268 -178.145 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -92.52 -19.56 21.84 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 121.59 0.709 . . . . 73.33 109.156 -179.062 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 17.7 m-80 -93.07 -1.79 56.18 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.054 -0.975 . . . . 73.35 110.449 175.395 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 21.4 mmtm 63.34 20.73 12.43 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 114.919 -1.037 . . . . 70.5 111.22 173.041 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -107.25 169.01 8.83 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.67 -0.695 . . . . 65.11 110.013 -179.39 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 20.6 p -127.56 132.13 49.91 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.047 0.451 . . . . 71.13 110.594 178.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -109.33 139.26 20.89 Favored Pre-proline 0 C--N 1.324 -0.541 0 CA-C-N 115.787 -0.642 . . . . 64.52 109.469 175.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.511 ' O ' HG21 ' A' ' 77' ' ' THR . 52.1 Cg_exo -55.39 118.94 5.75 Favored 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 122.425 2.084 . . . . 75.32 112.213 -178.567 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -71.18 -0.16 9.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.419 0.628 . . . . 74.43 111.212 179.554 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -89.82 10.33 24.03 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.376 -0.829 . . . . 72.44 110.401 178.142 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.511 HG21 ' O ' ' A' ' 74' ' ' PRO . 7.7 t -84.23 152.84 23.97 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 116.016 -0.538 . . . . 74.0 110.773 178.62 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.411 HG22 ' HG1' ' B' ' 12' ' ' THR . 1.4 p -128.14 149.21 50.52 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-O 121.135 0.493 . . . . 72.13 110.908 174.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 72.6 t -124.64 110.5 25.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 115.365 -0.834 . . . . 73.54 108.83 173.795 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.533 ' HB ' ' HB2' ' A' ' 100' ' ' ARG . 6.9 m -98.06 113.82 25.8 Favored 'General case' 0 C--N 1.314 -0.967 0 CA-C-N 115.164 -0.925 . . . . 61.0 110.708 -173.083 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.464 ' HB2' ' HB3' ' A' ' 51' ' ' ALA . . . -100.21 105.32 16.89 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.172 -0.467 . . . . 75.0 109.932 -179.306 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.608 ' HG2' ' HD3' ' B' ' 6' ' ' LYS . 29.3 tt0 -107.74 107.58 18.42 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.044 -0.725 . . . . 75.53 109.044 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.455 HG13 ' HA ' ' A' ' 48' ' ' GLN . 7.3 p -111.95 137.2 45.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.11 -0.496 . . . . 74.25 111.391 -170.313 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.46 ' HA2' ' HA ' ' B' ' 6' ' ' LYS . . . -137.07 175.73 20.94 Favored Glycine 0 N--CA 1.446 -0.68 0 CA-C-N 116.034 -0.53 . . . . 64.22 112.421 179.164 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -143.77 136.14 23.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 N-CA-C 109.392 -0.595 . . . . 71.32 109.392 -179.709 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -149.07 169.95 29.45 Favored Glycine 0 CA--C 1.519 0.328 0 N-CA-C 111.137 -0.785 . . . . 64.2 111.137 177.481 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . 0.588 ' HD3' ' HG ' ' B' ' 4' ' ' LEU . 71.6 Cg_endo -75.53 140.44 24.06 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.418 2.079 . . . . 75.13 112.013 -178.651 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . 0.498 ' HB2' ' HB3' ' A' ' 94' ' ' ALA . 51.2 t-20 -96.02 137.74 34.66 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.365 -0.605 . . . . 63.43 109.365 179.585 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -65.02 -10.97 33.95 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 121.003 0.43 . . . . 74.31 111.216 -179.047 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -67.4 -19.16 65.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.861 -0.608 . . . . 62.35 110.417 173.766 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.52 35.28 3.35 Favored Glycine 0 N--CA 1.453 -0.173 0 CA-C-N 115.748 -0.66 . . . . 52.42 112.471 -179.654 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -153.89 -141.58 3.28 Favored Glycine 0 N--CA 1.453 -0.233 0 N-CA-C 111.845 -0.502 . . . . 74.12 111.845 178.802 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 61.7 m-85 -107.94 166.96 10.32 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.829 0.347 . . . . 72.25 110.403 178.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.498 ' HB3' ' HB2' ' A' ' 88' ' ' ASN . . . -149.06 121.36 8.41 Favored 'General case' 0 C--O 1.238 0.49 0 N-CA-C 109.517 -0.549 . . . . 73.43 109.517 178.074 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -94.43 130.1 40.92 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.998 -0.546 . . . . 75.45 110.456 179.727 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -117.69 140.0 50.26 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 114.746 -1.116 . . . . 62.1 108.934 -179.417 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.577 HG11 HG12 ' A' ' 134' ' ' VAL . 3.2 p -140.85 110.72 3.24 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.813 0 CA-C-O 121.873 0.844 . . . . 41.42 110.455 173.033 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -91.6 107.2 19.04 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 114.721 -1.127 . . . . 52.25 109.112 -179.284 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 18.5 tp -99.63 111.64 23.96 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.868 -0.606 . . . . 73.33 110.25 -174.061 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.533 ' HB2' ' HB ' ' A' ' 80' ' ' THR . 70.7 mtt85 -98.97 132.11 44.53 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.746 -0.661 . . . . 73.43 109.966 -178.008 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 47.6 t -115.23 102.58 13.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.245 -0.434 . . . . 72.23 110.66 -178.143 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -99.4 100.9 12.02 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.884 -0.413 . . . . 73.1 109.884 177.081 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.611 HD13 ' HB2' ' A' ' 106' ' ' LEU . 2.5 tm? -111.67 115.42 51.38 Favored Pre-proline 0 C--O 1.235 0.333 0 N-CA-C 108.454 -0.943 . . . . 73.31 108.454 179.651 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . 0.496 ' HD2' HD21 ' A' ' 103' ' ' LEU . 37.0 Cg_endo -65.27 144.56 81.21 Favored 'Trans proline' 0 N--CA 1.464 -0.228 0 C-N-CA 122.829 2.353 . . . . 73.52 112.947 -176.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 69.48 14.41 69.38 Favored Glycine 0 CA--C 1.521 0.426 0 CA-C-N 115.319 -0.855 . . . . 54.45 112.911 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.611 ' HB2' HD13 ' A' ' 103' ' ' LEU . 33.1 tp -117.55 136.98 52.88 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-O 120.791 0.329 . . . . 65.03 111.254 -178.445 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -73.32 164.83 26.12 Favored 'General case' 0 CA--C 1.512 -0.489 0 CA-C-N 115.717 -0.674 . . . . 72.42 110.856 -178.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . 0.543 ' O ' ' HG3' ' A' ' 112' ' ' LYS . . . -68.63 -45.81 70.87 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.44 -0.8 . . . . 74.35 109.674 170.541 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -61.58 -45.28 94.77 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 115.538 -0.755 . . . . 64.13 110.761 -176.175 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . 0.471 ' O ' HG22 ' A' ' 113' ' ' THR . . . -71.43 -45.16 63.39 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.719 -0.673 . . . . 73.25 110.052 178.847 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -54.56 -40.91 69.19 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-N 116.078 -0.51 . . . . 54.13 111.686 -178.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . 0.543 ' HG3' ' O ' ' A' ' 108' ' ' ALA . 97.3 mttt -56.73 -39.59 74.22 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 120.583 0.23 . . . . 74.23 111.486 -178.414 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' THR . . . . . 0.471 HG22 ' O ' ' A' ' 110' ' ' ALA . 1.2 t -82.03 -35.86 28.37 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-O 120.709 0.29 . . . . 74.22 110.801 -178.471 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.441 ' HG ' ' O ' ' A' ' 110' ' ' ALA . 45.1 mt -66.38 -44.25 83.64 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-O 121.139 0.495 . . . . 61.01 110.083 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . 0.542 HG22 HG11 ' A' ' 138' ' ' VAL . 55.9 t -61.59 -41.19 89.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.655 -0.702 . . . . 72.22 110.148 176.361 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -57.7 -61.46 2.5 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.802 -0.635 . . . . 65.51 110.585 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . 0.485 ' O ' HG21 ' A' ' 121' ' ' VAL . 12.2 ptm180 -61.27 -44.94 96.41 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.659 -0.701 . . . . 65.24 111.079 -175.882 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -58.1 -51.11 71.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.97 0.414 . . . . 63.41 111.076 -178.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . 0.439 ' CE1' HG12 ' A' ' 115' ' ' VAL . 72.4 m80 -75.28 -12.02 60.19 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 116.275 -0.42 . . . . 74.13 111.449 -176.759 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 12.4 t-160 -94.71 -35.87 11.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.231 -0.44 . . . . 75.14 110.913 -178.584 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . 0.485 HG21 ' O ' ' A' ' 117' ' ' ARG . 21.6 m -91.88 -19.79 6.87 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.338 0 CA-C-N 116.691 -0.231 . . . . 74.54 111.588 -177.708 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 49.7 t -135.13 72.28 67.15 Favored Pre-proline 0 CA--C 1.535 0.373 0 CA-C-O 121.103 0.477 . . . . 72.12 111.237 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 92.4 Cg_endo -97.83 137.72 0.42 Allowed 'Trans proline' 0 N--CA 1.452 -0.941 0 C-N-CA 123.033 2.489 . . . . 75.04 111.679 171.548 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . 0.401 ' HE1' ' CG ' ' B' ' 50' ' ' PHE . 12.5 t80 -57.81 -25.13 60.18 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-O 121.65 0.738 . . . . 65.44 109.467 176.529 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' SER . . . . . 0.525 ' O ' HG23 ' A' ' 128' ' ' THR . 47.4 t -162.84 140.39 7.99 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 107.653 -1.24 . . . . 65.33 107.653 173.105 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 64.2 t30 -72.21 -31.82 66.21 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.966 0.889 . . . . 73.42 108.959 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . 0.674 ' O ' ' HB3' ' A' ' 131' ' ' ASN . . . -76.84 6.95 5.28 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 114.563 -1.199 . . . . 54.1 111.568 178.408 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' THR . . . . . 0.525 HG23 ' O ' ' A' ' 125' ' ' SER . 1.6 t -93.42 -10.16 36.11 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 108.656 -0.868 . . . . 73.21 108.656 -179.753 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 6.3 ptp180 -127.25 -42.56 1.68 Allowed 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 115.315 -0.857 . . . . 72.04 111.343 -178.016 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 12.1 m120 -71.9 -25.48 61.94 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.334 -0.394 . . . . 71.52 110.471 176.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . 0.674 ' HB3' ' O ' ' A' ' 127' ' ' ALA . 7.5 t30 -103.79 -40.34 6.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.09 -0.505 . . . . 72.12 110.689 -179.712 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . 0.484 ' HB ' ' O ' ' A' ' 128' ' ' THR . 22.8 t -103.59 144.2 14.43 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.206 0 CA-C-N 116.05 -0.523 . . . . 70.22 110.112 -177.111 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -80.25 103.94 10.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.073 0.463 . . . . 45.42 111.48 -175.37 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . 0.577 HG12 HG11 ' A' ' 97' ' ' VAL . 11.0 t -115.08 113.83 44.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.828 -0.624 . . . . 75.02 110.172 174.694 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.48 97.4 10.46 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.402 -0.592 . . . . 74.34 109.402 -179.878 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 53.0 mt -75.13 122.27 23.34 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 121.13 0.491 . . . . 50.04 110.673 178.567 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . 0.459 ' O ' ' HA ' ' A' ' 100' ' ' ARG . 0.1 OUTLIER -133.73 133.73 56.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.448 -0.796 . . . . 74.42 110.052 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . 0.542 HG11 HG22 ' A' ' 115' ' ' VAL . 3.3 m -101.22 139.05 23.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.03 -0.532 . . . . 71.15 110.351 -177.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.314 -0.945 0 CA-C-N 115.744 -0.662 . . . . 73.13 110.898 -177.136 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.449 ' HE1' ' HB2' ' A' ' 94' ' ' ALA . 28.5 ptm . . . . . 0 C--O 1.235 0.317 0 CA-C-O 120.912 0.387 . . . . 72.42 110.734 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 2' ' ' ASN . . . . . 0.434 ' O ' ' HD2' ' A' ' 87' ' ' PRO . 43.2 t30 -100.36 86.71 3.24 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.791 -0.641 . . . . 61.35 109.579 178.674 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . 0.495 HG21 ' HB2' ' B' ' 6' ' ' LYS . 29.0 mm -65.41 123.84 19.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 115.705 -0.68 . . . . 72.42 111.267 178.688 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . 0.588 ' HG ' ' HD3' ' A' ' 87' ' ' PRO . 91.8 mt -80.71 -43.71 19.86 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.616 -0.72 . . . . 75.25 110.168 176.872 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 5' ' ' TYR . . . . . . . . . . . . . 52.9 t80 -142.25 132.44 24.77 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 116.157 -0.474 . . . . 75.45 110.714 -178.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . 0.608 ' HD3' ' HG2' ' A' ' 82' ' ' GLU . 32.1 ttmt -138.62 145.84 41.0 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.941 0.401 . . . . 65.01 111.019 178.217 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 9.3 t -137.51 161.08 37.33 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.484 -0.78 . . . . 73.02 108.979 176.779 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . 0.452 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . . . -126.09 149.25 49.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.306 0.574 . . . . 64.22 112.031 -173.082 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . 0.539 ' HA ' ' H ' ' B' ' 22' ' ' HIS . . . -140.78 155.96 46.28 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.272 -0.876 . . . . 71.2 108.93 175.509 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 10' ' ' THR . . . . . 0.524 ' HA ' ' HA ' ' A' ' 80' ' ' THR . 9.0 t -138.68 128.43 24.98 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 108.65 -0.871 . . . . 64.31 108.65 -178.029 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 50.6 m -119.09 113.72 21.37 Favored 'General case' 0 C--N 1.314 -0.967 0 CA-C-N 115.892 -0.595 . . . . 74.14 111.001 -173.634 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 12' ' ' THR . . . . . 0.426 ' HB ' ' HE ' ' B' ' 18' ' ' ARG . 3.5 m -95.84 157.7 15.78 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 116.03 -0.532 . . . . 73.24 110.546 -179.495 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -92.24 74.15 1.44 Allowed Glycine 0 N--CA 1.448 -0.543 0 N-CA-C 111.425 -0.67 . . . . 71.12 111.425 174.152 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -58.02 -99.44 0.01 OUTLIER Glycine 0 C--N 1.339 0.745 0 C-N-CA 121.03 -0.605 . . . . 73.4 112.548 179.459 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 16.1 tpp180 -88.8 -55.1 3.84 Favored 'General case' 0 C--N 1.329 -0.313 0 O-C-N 122.49 -0.418 . . . . 65.14 109.941 174.207 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 16' ' ' ASP . . . . . 0.54 ' HA ' ' HE2' ' A' ' 63' ' ' LYS . 12.8 t70 -125.56 -42.8 1.92 Allowed 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.72 -0.474 . . . . 65.33 109.72 177.816 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -164.86 154.86 25.92 Favored Glycine 0 C--N 1.337 0.61 0 C-N-CA 120.294 -0.955 . . . . 74.22 111.952 164.401 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 18' ' ' ARG . . . . . 0.481 ' HA ' ' HA ' ' B' ' 29' ' ' LYS . 14.8 ttp180 -137.73 148.18 45.39 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.94 -0.393 . . . . 74.4 109.94 176.195 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 19' ' ' ALA . . . . . 0.456 ' HB1' ' HB2' ' A' ' 56' ' ' ALA . . . -137.7 123.93 20.5 Favored 'General case' 0 C--O 1.236 0.364 0 N-CA-C 109.968 -0.382 . . . . 64.31 109.968 178.789 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 23.3 m -131.3 114.66 15.3 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.461 -0.336 . . . . 75.11 110.927 -175.177 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 21' ' ' SER . . . . . 0.513 ' HB3' ' N ' ' B' ' 26' ' ' LEU . 36.7 t -68.92 110.72 4.55 Favored 'General case' 0 C--O 1.248 1.017 0 N-CA-C 107.537 -1.283 . . . . 74.21 107.537 175.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 22' ' ' HIS . . . . . 0.539 ' H ' ' HA ' ' B' ' 9' ' ' ALA . 37.9 t60 -51.09 -28.34 10.35 Favored 'General case' 0 N--CA 1.467 0.418 0 O-C-N 125.926 2.016 . . . . 73.12 112.453 -167.521 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -80.51 23.91 0.49 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.225 0.536 . . . . 63.54 110.089 -176.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . 0.441 ' H ' ' C ' ' B' ' 22' ' ' HIS . 27.8 mm-40 62.33 21.27 12.42 Favored 'General case' 0 C--N 1.341 0.237 0 CA-C-N 115.339 -0.846 . . . . 71.43 110.202 178.466 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.433 ' HA ' ' HD3' ' B' ' 25' ' ' LYS . 29.7 mmtp -93.52 -20.53 20.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.242 -0.89 . . . . 41.25 111.658 -177.415 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . 0.513 ' N ' ' HB3' ' B' ' 21' ' ' SER . 58.1 tp -148.38 145.11 27.92 Favored 'General case' 0 C--O 1.221 -0.401 0 C-N-CA 119.806 -0.758 . . . . 73.34 110.838 175.877 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -156.17 91.83 1.29 Allowed 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.076 -0.713 . . . . 53.33 109.076 174.638 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 4.9 m -132.88 175.43 11.42 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.315 0 CA-C-N 116.004 -0.543 . . . . 74.12 111.28 -178.127 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.481 ' HA ' ' HA ' ' B' ' 18' ' ' ARG . 15.1 tttm -143.25 138.91 29.96 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.754 -0.657 . . . . 74.12 110.782 -174.507 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . 0.687 ' HA ' ' H ' ' B' ' 44' ' ' THR . 0.0 OUTLIER -124.93 166.84 15.58 Favored 'General case' 0 C--O 1.254 1.313 0 CA-C-O 121.17 0.51 . . . . 72.32 110.988 179.478 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 31' ' ' SER . . . . . 0.516 ' HA ' ' HB3' ' B' ' 16' ' ' ASP . 46.4 m -155.41 123.79 5.92 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 115.158 -0.928 . . . . 62.35 110.707 -175.263 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.44 118.28 35.64 Favored Pre-proline 0 C--O 1.239 0.547 0 CA-C-N 116.02 -0.537 . . . . 75.13 110.409 177.273 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 33' ' ' PRO . . . . . . . . . . . . . 82.1 Cg_exo -49.14 128.85 20.62 Favored 'Trans proline' 0 C--N 1.351 0.674 0 C-N-CA 122.784 2.322 . . . . 72.21 111.543 177.82 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 51.3 ttt180 -64.07 -12.45 39.08 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.369 -0.378 . . . . 71.43 111.207 -173.185 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 43.9 mm-40 -47.98 -39.8 20.57 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 121.443 0.64 . . . . 72.42 110.845 174.824 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 24.1 mt -97.98 11.04 38.82 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 114.977 -1.01 . . . . 63.52 111.108 -171.155 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 88.3 58.19 1.79 Allowed Glycine 0 N--CA 1.452 -0.277 0 CA-C-N 115.91 -0.587 . . . . 51.22 111.68 -177.077 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -130.68 -136.44 3.97 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 121.177 -0.535 . . . . 64.12 111.999 -177.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -111.65 -24.23 10.2 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.676 0.274 . . . . 71.25 111.475 -176.802 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 55.58 29.19 53.4 Favored Glycine 0 CA--C 1.522 0.515 0 C-N-CA 121.365 -0.445 . . . . 53.13 113.164 -175.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -74.44 171.85 13.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.856 0.36 . . . . 75.21 111.169 -178.776 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -72.49 82.29 1.08 Allowed 'General case' 0 C--O 1.235 0.309 0 CA-C-O 121.908 0.861 . . . . 74.14 110.272 177.386 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -145.4 -170.98 14.67 Favored Glycine 0 C--N 1.316 -0.546 0 CA-C-N 114.953 -1.021 . . . . 72.12 111.226 175.736 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 44' ' ' THR . . . . . 0.687 ' H ' ' HA ' ' B' ' 30' ' ' LEU . 15.3 t -114.29 -179.1 3.53 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.865 -0.42 . . . . 70.51 109.865 178.564 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 45' ' ' ASN . . . . . 0.479 ' HB3' ' OE1' ' B' ' 47' ' ' GLU . 5.0 m120 -94.96 135.94 23.2 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 71.14 110.99 -177.211 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 46' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_endo -68.6 -44.93 2.71 Favored 'Trans proline' 0 C--N 1.348 0.551 0 C-N-CA 122.627 2.218 . . . . 54.41 112.345 179.764 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 47' ' ' GLU . . . . . 0.479 ' OE1' ' HB3' ' B' ' 45' ' ' ASN . 0.5 OUTLIER -72.06 -30.22 64.93 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-O 121.058 0.456 . . . . 73.03 109.9 -178.352 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . 0.656 ' HA ' HE21 ' B' ' 48' ' ' GLN . 0.0 OUTLIER -66.37 -40.73 89.94 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 115.939 -0.573 . . . . 65.22 110.046 172.534 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -59.06 -47.92 83.48 Favored 'General case' 0 C--O 1.238 0.467 0 CA-C-N 115.592 -0.731 . . . . 73.15 109.206 177.726 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 50' ' ' PHE . . . . . 0.401 ' CG ' ' HE1' ' A' ' 124' ' ' TYR . 78.5 t80 -59.73 -45.32 92.54 Favored 'General case' 0 C--O 1.226 -0.141 0 CA-C-N 115.832 -0.622 . . . . 74.53 110.556 175.583 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -53.28 -52.87 57.68 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.171 -0.468 . . . . 63.22 111.003 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 52' ' ' ALA . . . . . 0.602 ' HB3' ' HB2' ' A' ' 19' ' ' ALA . . . -59.84 -50.37 74.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.716 -0.674 . . . . 74.31 111.088 179.688 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . 0.5 ' HA3' HD12 ' A' ' 49' ' ' LEU . . . -62.63 -39.44 97.9 Favored Glycine 0 C--N 1.332 0.326 0 C-N-CA 121.119 -0.562 . . . . 73.22 112.705 -178.449 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -70.25 -48.17 58.08 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 122.965 0.506 . . . . 73.43 110.562 -178.427 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 57.3 p -61.98 -41.02 97.56 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.794 0.331 . . . . 71.55 110.228 -179.381 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 56' ' ' ALA . . . . . 0.403 ' HB1' ' HB1' ' A' ' 19' ' ' ALA . . . -65.05 -45.12 86.67 Favored 'General case' 0 CA--C 1.528 0.1 0 CA-C-N 116.16 -0.473 . . . . 72.32 110.272 175.346 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 57' ' ' CYS . . . . . . . . . . . . . 53.7 t -57.97 -36.56 72.77 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.989 -0.551 . . . . 72.4 110.187 177.611 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 19.9 t80 -64.17 -32.8 74.51 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 116.135 -0.484 . . . . 61.11 109.821 -179.668 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . 0.413 HD22 HG22 ' B' ' 79' ' ' VAL . 95.2 mt -69.0 -45.92 69.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.736 -0.665 . . . . 73.31 109.997 175.749 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 16.2 m -60.56 -35.33 75.78 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 116.029 -0.532 . . . . 73.23 110.416 176.665 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.44 -45.91 81.98 Favored 'General case' 0 C--N 1.333 -0.114 0 CA-C-N 115.981 -0.554 . . . . 44.1 110.14 176.768 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 62' ' ' MET . . . . . 0.891 ' HE1' ' HB2' ' B' ' 73' ' ' LEU . 0.0 OUTLIER -53.15 -53.17 54.37 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 121.716 0.769 . . . . 71.0 110.188 174.212 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . 0.598 ' N ' ' SD ' ' B' ' 62' ' ' MET . 27.3 tptp -52.83 -51.91 59.07 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 114.315 -1.312 . . . . 72.03 111.452 178.79 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 73.0 t80 -62.65 -43.33 99.09 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-O 120.81 0.338 . . . . 73.11 110.126 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 2.6 t -50.73 -54.1 10.99 Favored 'Isoleucine or valine' 0 C--O 1.234 0.286 0 CA-C-N 115.73 -0.668 . . . . 75.05 110.464 175.812 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 66' ' ' ALA . . . . . 0.543 ' HA ' ' HG3' ' B' ' 71' ' ' GLN . . . -62.39 -32.71 73.57 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.595 -0.729 . . . . 74.13 109.772 -178.56 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -70.91 -27.84 71.59 Favored Glycine 0 N--CA 1.448 -0.52 0 CA-C-N 114.891 -1.05 . . . . 75.04 112.646 -178.2 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 68' ' ' GLN . . . . . 0.407 HE21 ' HB2' ' B' ' 68' ' ' GLN . 2.2 pt20 -96.26 -22.89 16.96 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-O 121.189 0.518 . . . . 64.5 109.812 -177.856 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 69' ' ' ASN . . . . . 0.436 ' CB ' ' HG2' ' B' ' 71' ' ' GLN . 25.5 m-80 -94.41 3.48 55.12 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.426 -0.806 . . . . 65.21 111.245 -179.374 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 8.1 mptt 59.78 29.0 18.56 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-O 121.284 0.564 . . . . 73.12 110.821 176.192 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . 0.543 ' HG3' ' HA ' ' B' ' 66' ' ' ALA . 2.6 pt20 -124.13 169.88 11.26 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.652 -0.703 . . . . 74.24 110.385 -174.851 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 14.6 p -128.25 128.22 44.27 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.382 -0.372 . . . . 74.12 110.854 176.095 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . 0.891 ' HB2' ' HE1' ' B' ' 62' ' ' MET . 35.8 mt -102.59 155.11 36.94 Favored Pre-proline 0 C--N 1.328 -0.364 0 N-CA-C 108.833 -0.803 . . . . 75.15 108.833 177.396 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 74' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_exo -55.66 105.74 0.17 Allowed 'Trans proline' 0 C--N 1.348 0.541 0 C-N-CA 122.391 2.061 . . . . 74.32 112.347 -177.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -77.01 -5.4 48.58 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.336 -0.393 . . . . 71.53 111.896 -177.148 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -87.52 14.54 8.04 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-O 121.752 0.787 . . . . 60.22 110.291 -178.308 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 77' ' ' THR . . . . . 0.477 ' HB ' HD11 ' B' ' 103' ' ' LEU . 4.2 t -78.71 169.56 18.04 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.29 -0.868 . . . . 73.25 112.027 -177.016 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 23.3 m -150.4 149.24 29.78 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-N 115.622 -0.717 . . . . 71.23 109.36 177.088 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 79' ' ' VAL . . . . . 0.413 HG22 HD22 ' B' ' 59' ' ' LEU . 93.6 t -124.83 147.26 29.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 N-CA-C 109.66 -0.496 . . . . 54.24 109.66 179.665 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 31.5 m -132.02 111.73 11.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.864 0.364 . . . . 75.2 110.3 173.624 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -95.21 104.61 16.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.899 -0.591 . . . . 73.43 110.262 179.486 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 82' ' ' GLU . . . . . 0.524 ' HA ' ' HA ' ' A' ' 8' ' ' ALA . 34.0 tt0 -103.52 109.59 21.3 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.862 -0.422 . . . . 71.23 109.862 -179.658 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . 0.42 HG22 ' HG2' ' B' ' 47' ' ' GLU . 18.6 m -104.55 143.19 16.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.866 0.365 . . . . 71.44 111.038 -175.684 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 84' ' ' GLY . . . . . . . . . . . . . . . -140.52 161.67 26.57 Favored Glycine 0 N--CA 1.441 -1.03 0 N-CA-C 111.524 -0.63 . . . . 52.45 111.524 178.07 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -140.64 132.01 29.81 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.84 0 N-CA-C 109.625 -0.509 . . . . 73.1 109.625 -177.663 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -144.03 169.84 26.08 Favored Glycine 0 CA--C 1.518 0.24 0 N-CA-C 110.948 -0.861 . . . . 52.3 110.948 178.723 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 87' ' ' PRO . . . . . 0.558 ' HD3' ' HG ' ' A' ' 4' ' ' LEU . 73.3 Cg_endo -75.11 138.87 23.33 Favored 'Trans proline' 0 C--O 1.234 0.3 0 C-N-CA 122.18 1.92 . . . . 70.05 112.211 -177.888 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 88' ' ' ASN . . . . . . . . . . . . . 53.7 t-20 -94.46 137.52 33.49 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.022 -0.732 . . . . 72.3 109.022 178.383 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -66.25 -12.59 57.21 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 121.149 0.499 . . . . 71.21 110.867 -177.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -67.44 -19.88 65.43 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-O 121.659 0.742 . . . . 74.05 110.235 173.129 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.43 35.12 3.42 Favored Glycine 0 N--CA 1.452 -0.24 0 CA-C-N 115.144 -0.934 . . . . 72.2 112.283 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . -145.93 -140.59 3.52 Favored Glycine 0 N--CA 1.451 -0.308 0 N-CA-C 111.091 -0.804 . . . . 70.13 111.091 177.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 93' ' ' PHE . . . . . . . . . . . . . 27.3 m-85 -117.17 166.89 11.71 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.933 -0.395 . . . . 73.12 109.933 175.417 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -145.72 130.8 18.34 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.639 -0.71 . . . . 62.21 109.503 -178.802 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -99.91 127.06 46.13 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-O 121.095 0.474 . . . . 74.21 111.066 -175.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 96' ' ' ASP . . . . . 0.435 ' HB2' ' SD ' ' A' ' 1' ' ' MET . 32.5 t70 -114.69 110.27 19.49 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.174 -0.921 . . . . 73.53 109.021 177.109 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 97' ' ' VAL . . . . . 0.518 ' O ' ' HA ' ' B' ' 134' ' ' VAL . 0.2 OUTLIER -121.3 119.19 58.43 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.956 0 CA-C-O 121.407 0.622 . . . . 65.34 110.574 -176.681 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 98' ' ' GLU . . . . . 0.49 ' HG2' HG12 ' B' ' 137' ' ' VAL . 34.2 tt0 -107.15 118.76 37.57 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.192 -0.913 . . . . 74.42 109.818 -174.896 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 77.1 mt -103.88 112.1 24.92 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 120.647 0.261 . . . . 75.14 110.387 -177.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 100' ' ' ARG . . . . . 0.521 ' HA ' ' O ' ' B' ' 137' ' ' VAL . 70.3 mtt180 -99.54 120.48 39.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.135 -0.484 . . . . 70.24 110.717 -177.332 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 101' ' ' VAL . . . . . . . . . . . . . 94.8 t -109.72 103.37 15.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.955 -0.566 . . . . 60.12 110.922 -176.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 102' ' ' ALA . . . . . 0.518 ' HA ' ' HB1' ' B' ' 139' ' ' ALA . . . -92.51 101.17 13.61 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.735 -0.839 . . . . 53.32 108.735 172.867 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 103' ' ' LEU . . . . . 0.512 HD11 ' HD2' ' B' ' 104' ' ' PRO . 17.1 tp -120.19 107.86 38.95 Favored Pre-proline 0 C--N 1.33 -0.271 0 N-CA-C 109.182 -0.673 . . . . 72.24 109.182 -173.505 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 104' ' ' PRO . . . . . 0.512 ' HD2' HD11 ' B' ' 103' ' ' LEU . 80.9 Cg_endo -73.59 156.67 49.33 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 123.201 2.601 . . . . 74.24 113.109 -171.823 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 105' ' ' GLY . . . . . . . . . . . . . . . 71.74 15.67 75.87 Favored Glycine 0 C--N 1.334 0.434 0 CA-C-N 115.951 -0.568 . . . . 72.34 112.326 179.398 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 106' ' ' LEU . . . . . 0.499 HD23 ' HA ' ' B' ' 111' ' ' ALA . 23.9 tp -138.16 141.12 40.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.688 0.28 . . . . 65.44 111.195 -172.626 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -76.63 147.14 37.73 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 115.913 -0.585 . . . . 63.12 110.207 174.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -64.35 -36.3 83.69 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.824 0.345 . . . . 74.55 110.932 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -59.02 -51.64 69.18 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 116.132 -0.485 . . . . 64.51 110.779 179.799 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 110' ' ' ALA . . . . . 0.463 ' O ' HG22 ' B' ' 113' ' ' THR . . . -68.98 -37.5 78.8 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-O 121.12 0.486 . . . . 72.03 110.309 177.373 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 111' ' ' ALA . . . . . 0.499 ' HA ' HD23 ' B' ' 106' ' ' LEU . . . -55.53 -36.15 66.43 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.745 -0.661 . . . . 64.14 110.689 179.084 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 112' ' ' LYS . . . . . . . . . . . . . 50.6 mttm -54.45 -49.26 70.46 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.2 -0.454 . . . . 74.45 110.893 176.352 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 113' ' ' THR . . . . . 0.463 HG22 ' O ' ' B' ' 110' ' ' ALA . 1.1 t -74.87 -33.84 62.14 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 121.105 -0.238 . . . . 72.03 110.766 -175.614 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 46.0 mt -67.11 -48.74 67.21 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 116.581 -0.281 . . . . 72.05 110.368 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 115' ' ' VAL . . . . . 0.523 ' O ' ' HB2' ' B' ' 119' ' ' HIS . 86.4 t -65.26 -34.51 70.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.198 -0.455 . . . . 63.55 109.94 176.671 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -62.22 -53.63 52.41 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 116.385 -0.37 . . . . 75.43 111.269 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 117' ' ' ARG . . . . . 0.448 ' HG2' ' O ' ' B' ' 113' ' ' THR . 5.2 ptm180 -68.36 -38.2 81.18 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 116.13 -0.486 . . . . 70.2 110.267 -177.372 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -61.12 -39.66 90.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.338 0.589 . . . . 61.11 109.522 174.6 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 119' ' ' HIS . . . . . 0.523 ' HB2' ' O ' ' B' ' 115' ' ' VAL . 2.8 t-80 -78.69 10.88 2.89 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 115.241 -0.89 . . . . 74.31 110.574 178.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 15.8 m170 -108.56 -40.32 5.14 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-O 120.684 0.278 . . . . 73.32 110.433 173.243 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 35.0 m -84.54 -37.56 12.78 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.292 0 N-CA-C 112.023 0.379 . . . . 73.14 112.023 -175.193 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 122' ' ' CYS . . . . . . . . . . . . . 81.9 m -65.49 143.24 98.62 Favored Pre-proline 0 CA--C 1.534 0.361 0 CA-C-N 116.703 -0.226 . . . . 74.53 111.514 -174.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 123' ' ' PRO . . . . . 0.426 ' C ' ' H ' ' B' ' 125' ' ' SER . 38.6 Cg_endo -65.51 166.51 19.46 Favored 'Trans proline' 0 C--N 1.354 0.851 0 C-N-CA 122.671 2.247 . . . . 65.25 111.179 176.755 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 124' ' ' TYR . . . . . 0.404 ' HB2' ' O ' ' B' ' 123' ' ' PRO . 85.3 m-85 72.25 -45.91 0.63 Allowed 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 123.163 0.585 . . . . 65.35 110.747 -175.487 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 125' ' ' SER . . . . . 0.508 ' O ' HG23 ' B' ' 128' ' ' THR . 25.7 t -53.86 -43.49 69.57 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 115.727 -0.67 . . . . 64.23 112.394 -174.144 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 126' ' ' ASN . . . . . 0.437 HD22 ' ND2' ' A' ' 131' ' ' ASN . 24.8 p-10 -59.34 -40.22 85.66 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.258 0.552 . . . . 74.24 110.219 -179.064 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 127' ' ' ALA . . . . . 0.501 ' O ' ' HB3' ' B' ' 131' ' ' ASN . . . -83.13 -3.27 57.16 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.31 -0.859 . . . . 74.33 111.611 -177.369 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 128' ' ' THR . . . . . 0.532 HG22 HG21 ' B' ' 134' ' ' VAL . 1.4 t -114.4 -17.49 11.76 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 120.883 -0.327 . . . . 64.4 110.37 -173.523 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 129' ' ' ARG . . . . . 0.431 ' HG2' ' O ' ' B' ' 125' ' ' SER . 15.6 ptm180 -109.85 -41.72 4.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.76 0.314 . . . . 75.21 110.329 -177.392 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 130' ' ' ASN . . . . . . . . . . . . . 43.5 m-80 -78.48 -46.79 18.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.186 0.517 . . . . 74.14 109.981 176.457 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 131' ' ' ASN . . . . . 0.501 ' HB3' ' O ' ' B' ' 127' ' ' ALA . 0.2 OUTLIER -82.83 -43.94 16.07 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 115.546 -0.752 . . . . 75.43 110.61 -176.656 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 132' ' ' VAL . . . . . 0.457 HG12 ' N ' ' B' ' 133' ' ' ALA . 21.3 t -112.08 167.93 5.27 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.459 0 CA-C-N 116.307 -0.406 . . . . 62.31 110.112 -174.186 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 133' ' ' ALA . . . . . 0.457 ' N ' HG12 ' B' ' 132' ' ' VAL . . . -98.44 88.98 4.27 Favored 'General case' 0 C--O 1.243 0.715 0 CA-C-O 121.533 0.682 . . . . 72.23 112.043 -176.805 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 134' ' ' VAL . . . . . 0.532 HG21 HG22 ' B' ' 128' ' ' THR . 86.8 t -103.03 126.85 57.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.062 -0.972 . . . . 64.53 110.613 173.252 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 26.3 ttp-105 -101.39 110.75 22.81 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.804 -0.635 . . . . 74.32 109.561 176.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 136' ' ' LEU . . . . . 0.458 HD13 ' CG ' ' B' ' 119' ' ' HIS . 64.0 mt -80.47 117.36 21.13 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 121.291 0.567 . . . . 72.41 110.631 179.816 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 137' ' ' VAL . . . . . 0.521 ' O ' ' HA ' ' B' ' 100' ' ' ARG . 0.1 OUTLIER -121.88 115.52 46.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.296 -0.866 . . . . 74.23 109.592 179.863 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 138' ' ' VAL . . . . . . . . . . . . . 11.4 m -97.79 138.83 21.46 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-N 115.72 -0.673 . . . . 70.52 109.857 -178.054 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 139' ' ' ALA . . . . . 0.518 ' HB1' ' HA ' ' B' ' 102' ' ' ALA . . . . . . . . 0 C--N 1.309 -1.158 0 CA-C-O 118.325 -0.845 . . . . 71.35 110.256 -173.018 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.5 ptt? . . . . . 0 N--CA 1.484 1.246 0 CA-C-O 120.478 0.18 . . . . 71.43 110.681 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 50.9 t30 -77.68 71.39 4.16 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 121.249 0.547 . . . . 75.52 110.744 -179.014 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.491 HG21 ' HB2' ' A' ' 6' ' ' LYS . 34.2 mm -59.54 119.8 4.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 115.762 -0.654 . . . . 51.02 111.218 174.533 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.598 ' HG ' ' HD3' ' B' ' 87' ' ' PRO . 93.0 mt -78.79 -45.22 21.48 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.329 -0.851 . . . . 74.21 110.239 177.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 27.7 t80 -137.37 133.82 35.26 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.139 -0.482 . . . . 73.42 109.83 -179.561 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.491 ' HB2' HG21 ' A' ' 3' ' ' ILE . 36.4 ttmt -136.91 144.63 43.57 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.15 -0.477 . . . . 62.42 110.724 178.767 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 9.3 t -145.35 145.14 31.08 Favored 'General case' 0 C--O 1.237 0.422 0 N-CA-C 109.209 -0.663 . . . . 73.02 109.209 177.434 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -120.58 136.27 54.85 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-O 121.122 0.487 . . . . 64.34 111.178 -174.585 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -127.93 129.41 46.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.982 -0.554 . . . . 73.03 110.394 179.329 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 7.9 t -96.1 121.38 37.81 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.169 0.509 . . . . 73.43 109.643 179.36 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.685 ' HG ' ' HB ' ' B' ' 79' ' ' VAL . 33.0 p -112.3 115.2 28.38 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.02 -0.536 . . . . 74.42 110.728 -179.317 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.9 m -88.29 166.95 13.95 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.622 -0.511 . . . . 72.12 109.622 176.713 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -80.62 8.34 55.22 Favored Glycine 0 CA--C 1.522 0.522 0 C-N-CA 120.807 -0.711 . . . . 62.44 113.171 179.058 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 33.23 -133.32 0.27 Allowed Glycine 0 C--N 1.344 1.006 0 O-C-N 123.576 0.221 . . . . 62.02 112.717 -174.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 29.2 ttm180 -88.93 -34.49 16.9 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 108.098 -1.075 . . . . 73.04 108.098 162.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.443 ' HB3' ' HA ' ' A' ' 31' ' ' SER . 40.6 t0 -125.9 -42.44 1.9 Allowed 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 115.474 -0.784 . . . . 74.22 109.726 170.641 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -164.3 162.62 35.48 Favored Glycine 0 C--N 1.344 1.009 0 C-N-CA 120.129 -1.034 . . . . 73.12 112.338 169.012 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.664 ' HA ' ' HA ' ' A' ' 29' ' ' LYS . 57.5 ttp180 -149.38 144.51 26.44 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.482 -0.562 . . . . 73.24 109.482 175.771 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.68 ' HB2' ' HB2' ' B' ' 52' ' ' ALA . . . -134.66 123.57 23.95 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 110.167 -0.308 . . . . 71.12 110.167 179.337 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 47.1 m -135.93 112.46 9.99 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.177 -0.465 . . . . 65.23 110.163 -178.559 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.545 ' HB3' ' N ' ' A' ' 26' ' ' LEU . 23.3 t -70.44 107.24 3.73 Favored 'General case' 0 C--O 1.242 0.663 0 N-CA-C 106.793 -1.558 . . . . 62.3 106.793 176.008 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.41 ' C ' ' H ' ' A' ' 24' ' ' GLN . 80.0 t60 -55.95 -29.08 59.62 Favored 'General case' 0 N--CA 1.472 0.659 0 O-C-N 125.756 1.91 . . . . 71.44 112.772 -164.442 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -80.39 17.82 1.01 Allowed 'General case' 0 C--N 1.317 -0.837 0 CA-C-O 121.375 0.607 . . . . 73.43 110.221 178.889 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.41 ' H ' ' C ' ' A' ' 22' ' ' HIS . 25.0 mm-40 72.08 23.75 3.36 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 114.495 -1.229 . . . . 72.53 110.488 172.653 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.623 ' HB2' ' HZ1' ' A' ' 25' ' ' LYS . 7.8 mtmp? -86.96 -16.59 35.38 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-N 115.662 -0.699 . . . . 73.44 111.499 175.512 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.545 ' N ' ' HB3' ' A' ' 21' ' ' SER . 42.8 tp -157.44 146.61 19.93 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 119.906 -0.718 . . . . 74.42 111.556 177.617 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -156.54 98.17 1.79 Allowed 'General case' 0 N--CA 1.465 0.298 0 O-C-N 123.61 0.569 . . . . 74.5 110.627 173.271 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.435 ' O ' ' HG3' ' A' ' 18' ' ' ARG . 2.7 m -147.52 174.6 1.78 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.265 0 CA-C-O 121.027 0.441 . . . . 62.12 110.801 174.684 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.664 ' HA ' ' HA ' ' A' ' 18' ' ' ARG . 0.6 OUTLIER -137.9 144.72 41.45 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.76 -0.655 . . . . 62.42 110.077 -179.39 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.546 ' HB2' ' O ' ' A' ' 44' ' ' THR . 0.0 OUTLIER -131.4 173.7 10.82 Favored 'General case' 0 C--O 1.255 1.348 0 CA-C-O 121.646 0.736 . . . . 73.21 112.216 -175.755 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.443 ' HA ' ' HB3' ' A' ' 16' ' ' ASP . 35.7 t -162.96 138.14 6.69 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 114.296 -1.32 . . . . 75.34 109.706 -177.716 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.58 149.28 95.72 Favored Pre-proline 0 C--N 1.327 -0.41 0 CA-C-N 116.085 -0.507 . . . . 52.21 110.405 177.12 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.572 ' HD3' ' HB2' ' A' ' 45' ' ' ASN . 21.1 Cg_endo -60.89 116.3 3.27 Favored 'Trans proline' 0 C--N 1.348 0.547 0 C-N-CA 122.298 1.998 . . . . 73.33 111.61 -176.337 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.419 ' HG2' ' N ' ' A' ' 40' ' ' GLY . 0.0 OUTLIER -58.09 -20.65 41.39 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 116.43 -0.35 . . . . 64.52 110.333 -179.669 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 26.3 mm-40 -46.42 -47.68 18.95 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.651 -0.704 . . . . 75.14 110.847 174.728 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 7.7 mp -103.88 24.43 11.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.503 -0.771 . . . . 73.53 110.545 -177.063 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 79.18 32.0 40.62 Favored Glycine 0 C--N 1.333 0.382 0 CA-C-N 115.984 -0.553 . . . . 72.22 112.924 178.173 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -53.73 -70.59 0.89 Allowed Glycine 0 CA--C 1.523 0.554 0 C-N-CA 121.53 -0.366 . . . . 73.44 113.542 -179.612 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.459 ' HB2' ' HE3' ' B' ' 63' ' ' LYS . . . -167.69 -61.1 0.03 OUTLIER 'General case' 0 C--O 1.232 0.158 0 CA-C-O 120.876 0.369 . . . . 63.22 111.207 178.543 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.419 ' N ' ' HG2' ' A' ' 34' ' ' ARG . . . 126.32 57.69 0.15 Allowed Glycine 0 N--CA 1.458 0.11 0 C-N-CA 121.046 -0.597 . . . . 45.53 112.462 -175.097 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -149.75 140.37 22.56 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 110.107 -0.331 . . . . 51.12 110.107 177.375 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -73.23 88.18 1.49 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.761 0.791 . . . . 71.23 109.688 176.546 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -139.56 -167.81 11.09 Favored Glycine 0 C--N 1.315 -0.631 0 CA-C-N 115.5 -0.773 . . . . 55.55 111.928 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.546 ' O ' ' HB2' ' A' ' 30' ' ' LEU . 53.6 m -92.83 135.63 33.96 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.61 -0.515 . . . . 74.01 109.61 179.405 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.572 ' HB2' ' HD3' ' A' ' 33' ' ' PRO . 7.4 p-10 -79.02 129.25 73.68 Favored Pre-proline 0 C--O 1.237 0.419 0 N-CA-C 109.215 -0.661 . . . . 72.33 109.215 177.181 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 77.2 Cg_exo -49.44 -36.58 39.51 Favored 'Trans proline' 0 C--N 1.349 0.591 0 C-N-CA 123.214 2.609 . . . . 63.04 112.913 -174.324 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.449 ' CD ' ' H ' ' A' ' 47' ' ' GLU . 4.6 mp0 -56.84 -48.62 77.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.735 -0.666 . . . . 62.13 109.919 -179.736 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.514 ' OE1' ' HB2' ' B' ' 21' ' ' SER . 1.0 OUTLIER -67.96 -41.46 82.41 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.858 -0.61 . . . . 74.41 110.194 -178.956 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -54.88 -48.85 72.44 Favored 'General case' 0 C--O 1.238 0.479 0 CA-C-N 115.973 -0.558 . . . . 71.11 109.533 -178.356 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.478 ' CG ' ' HE1' ' B' ' 124' ' ' TYR . 73.1 t80 -67.87 -43.54 79.18 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.638 -0.71 . . . . 65.21 111.022 179.31 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -51.17 -53.6 33.16 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.813 0.339 . . . . 52.03 111.023 176.108 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.505 ' HB1' ' HB3' ' B' ' 19' ' ' ALA . . . -61.66 -50.11 73.81 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-N 115.908 -0.587 . . . . 73.32 111.132 -178.712 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.485 ' O ' ' SG ' ' A' ' 57' ' ' CYS . . . -58.44 -56.19 26.61 Favored Glycine 0 C--O 1.226 -0.364 0 CA-C-N 115.656 -0.702 . . . . 45.35 111.973 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 7.0 t80 -60.91 -37.04 80.88 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 122.988 0.515 . . . . 74.55 110.898 -178.722 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.401 ' HB2' ' HB2' ' A' ' 81' ' ' ALA . 8.6 t -60.74 -53.58 55.63 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.223 0.535 . . . . 73.1 109.726 179.081 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.463 ' HB2' HD21 ' B' ' 30' ' ' LEU . . . -67.35 -33.7 75.77 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.772 -0.649 . . . . 72.41 110.738 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.629 ' SG ' ' HB3' ' B' ' 46' ' ' PRO . 80.5 m -66.57 -36.42 82.61 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.998 -0.546 . . . . 74.4 110.024 177.713 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 36.1 t80 -69.7 -37.71 76.68 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.097 -0.705 . . . . 74.24 109.097 -179.589 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.463 ' O ' ' HG3' ' A' ' 63' ' ' LYS . 49.6 tp -65.31 -45.85 82.7 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 115.589 -0.732 . . . . 74.12 110.29 176.346 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 32.8 t -62.06 -48.6 79.53 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 116.045 -0.525 . . . . 74.4 110.234 178.779 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.443 ' O ' HG22 ' A' ' 65' ' ' VAL . . . -59.57 -40.62 87.93 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.047 -0.524 . . . . 64.15 110.229 177.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' MET . . . . . 0.515 ' HE1' ' HA ' ' A' ' 62' ' ' MET . 5.5 tpt -58.76 -35.61 73.05 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.962 -0.563 . . . . 61.32 110.182 177.658 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.531 ' NZ ' ' HA ' ' B' ' 16' ' ' ASP . 97.2 mttt -67.57 -51.95 44.47 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-O 120.903 0.382 . . . . 62.32 110.249 176.345 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.408 ' CZ ' ' HE1' ' B' ' 93' ' ' PHE . 58.9 t80 -59.87 -35.03 73.95 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 115.986 -0.552 . . . . 70.35 110.054 -178.6 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.443 HG22 ' O ' ' A' ' 61' ' ' ALA . 54.6 t -64.22 -44.13 97.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.947 -0.57 . . . . 51.41 109.767 173.46 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.59 -30.79 68.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.099 0.476 . . . . 55.45 110.087 175.159 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -70.12 -34.28 70.03 Favored Glycine 0 C--N 1.33 0.228 0 CA-C-N 115.292 -0.867 . . . . 65.01 112.108 -177.549 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -88.0 -20.35 25.94 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.642 0.734 . . . . 73.33 109.046 178.337 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.475 ' HB3' ' HG2' ' A' ' 71' ' ' GLN . 8.6 m-80 -86.95 -3.36 59.08 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 114.792 -1.095 . . . . 73.35 110.915 176.042 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 9.8 mptt 55.06 30.68 14.7 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-O 121.467 0.651 . . . . 70.5 110.903 177.711 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.501 HE22 HD22 ' A' ' 73' ' ' LEU . 2.0 pt20 -119.22 158.15 26.59 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 114.945 -1.025 . . . . 65.11 109.287 176.579 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 17.1 p -118.45 137.26 53.29 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.945 0.402 . . . . 71.13 111.297 -177.348 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.501 HD22 HE22 ' A' ' 71' ' ' GLN . 79.8 mt -109.39 138.05 20.43 Favored Pre-proline 0 CA--C 1.535 0.378 0 CA-C-N 115.939 -0.573 . . . . 64.52 109.946 179.687 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.507 ' HD2' HD13 ' A' ' 103' ' ' LEU . 35.4 Cg_exo -59.57 141.77 97.78 Favored 'Trans proline' 0 C--N 1.351 0.693 0 C-N-CA 123.164 2.576 . . . . 75.32 113.099 -179.331 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -77.25 -9.89 59.08 Favored 'General case' 0 N--CA 1.467 0.386 0 N-CA-C 112.166 0.432 . . . . 74.43 112.166 -179.3 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -89.93 17.47 6.74 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.653 0.74 . . . . 72.44 110.903 -177.625 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.514 ' HB ' HD12 ' A' ' 103' ' ' LEU . 10.0 t -86.33 168.48 13.83 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.552 -0.749 . . . . 74.0 111.372 -178.097 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.491 HG22 ' HA ' ' B' ' 12' ' ' THR . 1.0 OUTLIER -153.75 149.36 27.38 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 115.766 -0.652 . . . . 72.13 110.742 -179.164 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 74.2 t -131.92 121.99 48.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 N-CA-C 109.124 -0.695 . . . . 73.54 109.124 173.47 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.535 ' HA ' ' HA ' ' B' ' 10' ' ' THR . 16.5 m -106.18 112.54 25.62 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.602 -0.272 . . . . 61.0 110.756 -179.814 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.401 ' HB2' ' HB2' ' A' ' 55' ' ' SER . . . -93.19 105.87 17.91 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.575 -0.528 . . . . 75.0 109.575 176.424 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.457 ' HA ' ' HA ' ' B' ' 8' ' ' ALA . 31.2 tt0 -104.67 107.58 18.6 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 108.677 -0.86 . . . . 75.53 108.677 -179.745 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 30.7 m -112.14 144.94 18.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 121.118 0.485 . . . . 74.25 111.811 -171.181 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -136.43 160.51 24.77 Favored Glycine 0 N--CA 1.438 -1.179 0 CA-C-N 115.392 -0.822 . . . . 64.22 111.712 177.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -129.81 132.55 65.77 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.777 0 N-CA-C 108.563 -0.903 . . . . 71.32 108.563 178.23 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . 0.413 ' HA2' ' HG ' ' B' ' 4' ' ' LEU . . . -149.75 169.81 29.9 Favored Glycine 0 C--N 1.329 0.15 0 O-C-N 123.689 0.618 . . . . 64.2 111.575 -176.182 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . 0.669 ' HD3' ' HG ' ' B' ' 4' ' ' LEU . 90.9 Cg_endo -81.97 140.95 11.62 Favored 'Trans proline' 0 N--CA 1.458 -0.591 0 C-N-CA 122.297 1.998 . . . . 75.13 112.816 -177.266 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -79.07 159.39 27.56 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.422 -0.808 . . . . 63.43 109.279 175.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -57.24 -26.0 60.04 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-O 120.753 0.311 . . . . 74.31 111.486 -178.585 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -73.37 -24.41 60.32 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-O 121.186 0.517 . . . . 62.35 111.092 179.535 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.3 25.15 7.16 Favored Glycine 0 N--CA 1.453 -0.221 0 CA-C-N 115.813 -0.631 . . . . 52.42 112.029 -176.098 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . 0.46 ' O ' ' HA ' ' A' ' 87' ' ' PRO . . . -108.01 -160.65 20.67 Favored Glycine 0 C--N 1.332 0.322 0 N-CA-C 110.657 -0.977 . . . . 74.12 110.657 173.673 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 59.2 m-85 -108.83 152.28 25.1 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 117.413 0.606 . . . . 72.25 110.622 177.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -147.83 145.5 28.75 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 115.865 -0.607 . . . . 73.43 110.205 -177.792 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -104.91 149.28 25.84 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 121.175 0.512 . . . . 75.45 111.456 -176.333 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -135.26 125.58 26.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 114.961 -1.018 . . . . 62.1 109.31 -177.319 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.509 ' HB ' HG23 ' A' ' 134' ' ' VAL . 53.9 t -125.88 111.01 25.43 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.29 0 CA-C-O 120.742 0.306 . . . . 41.42 111.366 -177.258 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -93.54 108.64 20.32 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.676 -0.491 . . . . 52.25 109.676 176.471 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 71.3 mt -94.32 107.14 19.11 Favored 'General case' 0 C--O 1.237 0.423 0 CA-C-O 121.313 0.577 . . . . 73.33 110.396 179.71 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.514 ' HA ' HG13 ' A' ' 137' ' ' VAL . 34.9 ttm180 -99.64 118.44 36.18 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.021 -0.991 . . . . 73.43 110.231 -177.183 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 45.5 t -112.82 104.92 17.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 120.479 0.181 . . . . 72.23 111.233 -173.062 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -102.94 101.37 11.39 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.965 -0.383 . . . . 73.1 109.965 176.456 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.778 HD22 HD22 ' A' ' 106' ' ' LEU . 28.9 tp -114.18 120.97 37.43 Favored Pre-proline 0 C--N 1.33 -0.276 0 N-CA-C 109.302 -0.629 . . . . 73.31 109.302 179.274 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . 0.515 ' HD2' HD12 ' A' ' 103' ' ' LEU . 45.9 Cg_endo -72.23 148.99 50.72 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.522 2.148 . . . . 73.52 112.313 -177.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 74.88 15.28 80.99 Favored Glycine 0 C--N 1.332 0.327 0 CA-C-N 115.862 -0.608 . . . . 54.45 112.269 -178.695 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.778 HD22 HD22 ' A' ' 103' ' ' LEU . 44.4 tp -129.97 143.27 50.71 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 122.618 0.367 . . . . 65.03 111.356 -174.482 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -80.8 166.7 20.72 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 116.205 -0.452 . . . . 72.42 110.802 178.324 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -68.63 -44.11 74.89 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.606 -0.724 . . . . 74.35 110.37 171.182 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -64.42 -47.79 77.81 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 115.762 -0.654 . . . . 64.13 110.791 -176.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . 0.57 ' O ' HG23 ' A' ' 113' ' ' THR . . . -69.15 -41.2 77.6 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.847 -0.615 . . . . 73.25 109.919 178.786 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . 0.518 ' HA ' HD23 ' A' ' 106' ' ' LEU . . . -54.53 -43.84 72.27 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.134 -0.484 . . . . 54.13 111.226 177.77 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . 0.417 ' HA ' HG13 ' A' ' 138' ' ' VAL . 44.8 mttp -53.7 -43.52 69.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.456 -0.338 . . . . 74.23 111.334 177.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' THR . . . . . 0.57 HG23 ' O ' ' A' ' 110' ' ' ALA . 1.0 OUTLIER -74.54 -35.24 63.12 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 120.809 -0.356 . . . . 74.22 110.634 -177.231 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.401 ' HG ' ' O ' ' A' ' 110' ' ' ALA . 53.4 mt -69.35 -47.01 65.62 Favored 'General case' 0 C--O 1.231 0.119 0 CA-C-O 120.776 0.322 . . . . 61.01 110.554 -178.625 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 66.4 t -65.4 -35.25 74.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.112 -0.494 . . . . 72.22 110.016 177.706 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -59.32 -57.29 13.67 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 115.623 -0.717 . . . . 65.51 110.531 178.511 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 11.3 ptm180 -66.03 -39.47 90.2 Favored 'General case' 0 CA--C 1.528 0.115 0 CA-C-N 115.987 -0.551 . . . . 65.24 110.909 -177.263 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -60.17 -49.79 76.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.239 0.542 . . . . 63.41 110.554 178.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 83.1 t60 -71.68 -9.73 58.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.584 -0.735 . . . . 74.13 110.659 -179.738 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 4.9 t-80 -91.45 -39.67 11.84 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 115.686 -0.688 . . . . 75.14 111.04 177.436 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 31.1 m -79.4 -44.04 23.74 Favored 'Isoleucine or valine' 0 C--O 1.237 0.396 0 N-CA-C 111.974 0.361 . . . . 74.54 111.974 -173.512 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 44.9 t -150.15 84.94 5.61 Favored Pre-proline 0 CA--C 1.533 0.326 0 CA-C-O 120.826 0.346 . . . . 72.12 111.879 -175.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 95.6 Cg_endo -87.91 -178.74 2.31 Favored 'Trans proline' 0 CA--C 1.535 0.57 0 C-N-CA 122.818 2.346 . . . . 75.04 110.883 169.006 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -76.92 -8.71 57.87 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-O 121.179 0.514 . . . . 65.44 110.231 -179.697 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' SER . . . . . 0.616 ' HB3' ' HB ' ' A' ' 128' ' ' THR . 29.2 t 179.44 153.91 0.46 Allowed 'General case' 0 C--O 1.234 0.253 0 N-CA-C 108.495 -0.928 . . . . 65.33 108.495 179.466 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' ASN . . . . . 0.407 ' OD1' ' N ' ' A' ' 127' ' ' ALA . 36.6 p30 -69.22 -31.83 70.69 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.602 0.715 . . . . 73.42 109.214 177.04 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . 0.685 ' HB3' ' HB2' ' B' ' 127' ' ' ALA . . . -88.07 4.77 44.05 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.173 -0.922 . . . . 54.1 112.069 -178.461 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' THR . . . . . 0.616 ' HB ' ' HB3' ' A' ' 125' ' ' SER . 2.8 t -87.19 -3.75 59.07 Favored 'General case' 0 CA--C 1.513 -0.446 0 N-CA-C 107.752 -1.203 . . . . 73.21 107.752 -176.308 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 21.0 ptt180 -127.3 -42.99 1.65 Allowed 'General case' 0 N--CA 1.438 -1.036 0 CA-C-N 113.952 -1.476 . . . . 72.04 110.087 178.77 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 82.3 m-20 -78.6 -29.31 45.99 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 115.504 -0.771 . . . . 71.52 111.897 -178.062 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . 0.471 ' HB3' ' O ' ' A' ' 127' ' ' ALA . 2.5 t-20 -101.32 -40.47 7.1 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 121.266 0.555 . . . . 72.12 109.871 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 39.4 t -97.26 125.85 50.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.3 -0.864 . . . . 70.22 109.833 -178.444 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -69.16 104.01 2.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.049 0.452 . . . . 45.42 110.748 -178.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . 0.509 HG23 ' HB ' ' A' ' 97' ' ' VAL . 74.2 t -114.16 125.16 71.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.813 -0.631 . . . . 75.02 110.858 -179.616 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 12.9 mmt180 -92.54 117.89 30.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.668 -0.696 . . . . 74.34 109.201 178.741 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 45.8 mt -88.31 113.0 23.47 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.204 0.526 . . . . 50.04 110.279 176.662 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . 0.514 HG13 ' HA ' ' A' ' 100' ' ' ARG . 0.2 OUTLIER -126.66 113.53 33.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 115.33 -0.85 . . . . 74.42 109.978 -179.227 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . 0.417 HG13 ' HA ' ' A' ' 112' ' ' LYS . 4.4 m -98.38 138.87 21.75 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-N 115.756 -0.656 . . . . 71.15 110.337 -178.3 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.313 -0.994 0 CA-C-N 115.118 -0.946 . . . . 73.13 110.83 -175.633 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 17.2 ptt? . . . . . 0 C--O 1.234 0.25 0 CA-C-O 120.858 0.361 . . . . 72.42 110.9 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 2' ' ' ASN . . . . . 0.56 ' O ' ' HD2' ' A' ' 87' ' ' PRO . 38.9 t30 -75.29 80.03 2.39 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-O 121.12 0.486 . . . . 61.35 110.667 176.557 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . 0.504 HG21 ' HB2' ' B' ' 6' ' ' LYS . 29.2 mm -73.95 136.55 25.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 115.981 -0.554 . . . . 72.42 111.26 174.872 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . 0.669 ' HG ' ' HD3' ' A' ' 87' ' ' PRO . 92.4 mt -88.76 -46.13 9.23 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.762 -0.654 . . . . 75.25 110.1 174.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 5' ' ' TYR . . . . . . . . . . . . . 38.2 t80 -136.42 126.41 26.0 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 116.116 -0.493 . . . . 75.45 110.546 -177.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . 0.504 ' HB2' HG21 ' B' ' 3' ' ' ILE . 30.5 ttmt -136.19 141.37 44.01 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 121.13 0.49 . . . . 65.01 111.211 178.309 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 6.2 t -138.9 156.71 47.06 Favored 'General case' 0 C--O 1.238 0.448 0 CA-C-N 115.421 -0.809 . . . . 73.02 109.45 178.41 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . 0.457 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . . . -118.29 134.7 54.81 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-O 121.06 0.457 . . . . 64.22 111.371 -177.329 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . 0.47 ' HA ' ' HA ' ' B' ' 21' ' ' SER . . . -129.14 121.29 27.44 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.924 -0.58 . . . . 71.2 109.805 176.597 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 10' ' ' THR . . . . . 0.535 ' HA ' ' HA ' ' A' ' 80' ' ' THR . 12.6 t -99.98 146.4 26.75 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.854 0.359 . . . . 64.31 110.032 -178.195 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 11' ' ' SER . . . . . 0.598 ' HA ' ' O ' ' B' ' 18' ' ' ARG . 77.2 p -128.71 114.36 16.52 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.203 -0.453 . . . . 74.14 110.188 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 12' ' ' THR . . . . . 0.491 ' HA ' HG22 ' A' ' 78' ' ' THR . 5.3 m -91.86 157.95 16.58 Favored 'General case' 0 C--O 1.238 0.49 0 CA-C-N 115.938 -0.574 . . . . 73.24 110.49 -179.43 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -82.07 73.55 2.62 Favored Glycine 0 N--CA 1.443 -0.891 0 C-N-CA 120.79 -0.719 . . . . 71.12 112.653 177.105 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -67.61 -134.28 0.04 OUTLIER Glycine 0 C--N 1.334 0.449 0 N-CA-C 110.992 -0.843 . . . . 73.4 110.992 173.093 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 12.3 mmm180 -60.36 -55.37 34.44 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 117.963 0.882 . . . . 65.14 109.245 173.787 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 16' ' ' ASP . . . . . 0.533 ' HB3' ' HA ' ' B' ' 31' ' ' SER . 37.6 t0 -126.63 -43.69 1.72 Allowed 'General case' 0 CA--C 1.518 -0.26 0 C-N-CA 120.77 -0.372 . . . . 65.33 111.176 167.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -151.79 140.81 8.04 Favored Glycine 0 N--CA 1.446 -0.651 0 C-N-CA 119.473 -1.346 . . . . 74.22 112.95 176.083 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 18' ' ' ARG . . . . . 0.598 ' O ' ' HA ' ' B' ' 11' ' ' SER . 11.7 tpt180 -123.46 105.21 9.6 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 108.605 -0.887 . . . . 74.4 108.605 174.677 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 19' ' ' ALA . . . . . 0.505 ' HB3' ' HB1' ' A' ' 52' ' ' ALA . . . -98.46 123.87 42.84 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 110.158 -0.312 . . . . 64.31 110.158 -175.262 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 32.0 m -141.13 115.29 9.28 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.322 -0.399 . . . . 75.11 110.669 -175.378 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 21' ' ' SER . . . . . 0.569 ' HB3' ' N ' ' B' ' 26' ' ' LEU . 31.4 t -71.32 110.69 6.1 Favored 'General case' 0 C--O 1.249 1.068 0 N-CA-C 108.063 -1.088 . . . . 74.21 108.063 176.78 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 22' ' ' HIS . . . . . 0.458 ' C ' ' H ' ' B' ' 24' ' ' GLN . 45.2 t60 -54.17 -20.74 7.29 Favored 'General case' 0 C--N 1.35 0.625 0 O-C-N 126.646 2.466 . . . . 73.12 112.247 -172.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -80.13 17.64 0.98 Allowed 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.509 -0.552 . . . . 63.54 109.509 176.731 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . 0.458 ' H ' ' C ' ' B' ' 22' ' ' HIS . 28.4 mm-40 63.13 21.92 13.12 Favored 'General case' 0 CA--C 1.519 -0.227 0 CA-C-N 115.291 -0.868 . . . . 71.43 109.935 178.87 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 32.5 mmtp -90.11 -26.8 20.03 Favored 'General case' 0 N--CA 1.45 -0.475 0 CA-C-N 115.061 -0.972 . . . . 41.25 111.074 -178.265 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . 0.569 ' N ' ' HB3' ' B' ' 21' ' ' SER . 55.2 tp -142.09 145.02 33.83 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 119.403 -0.919 . . . . 73.34 111.918 -176.318 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -156.48 100.32 1.95 Allowed 'General case' 0 CA--C 1.535 0.39 0 O-C-N 124.279 0.987 . . . . 53.33 110.098 177.481 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 3.2 m -148.66 178.16 0.81 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.503 0 CA-C-N 115.478 -0.783 . . . . 74.12 111.23 177.071 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 18.0 ttpt -139.03 141.48 38.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.552 -0.749 . . . . 74.12 110.126 -179.114 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . 0.544 ' N ' HD12 ' B' ' 30' ' ' LEU . 0.0 OUTLIER -132.67 173.82 10.95 Favored 'General case' 0 C--O 1.251 1.144 0 CA-C-O 120.65 0.262 . . . . 72.32 111.125 177.519 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 31' ' ' SER . . . . . 0.533 ' HA ' ' HB3' ' B' ' 16' ' ' ASP . 56.7 p -167.77 135.33 2.29 Favored 'General case' 0 N--CA 1.456 -0.17 0 CA-C-N 115.77 -0.65 . . . . 62.35 111.959 -178.886 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -75.21 131.35 78.41 Favored Pre-proline 0 C--O 1.241 0.641 0 CA-C-N 115.95 -0.568 . . . . 75.13 110.324 174.333 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 33' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -54.66 134.93 64.97 Favored 'Trans proline' 0 C--N 1.349 0.59 0 C-N-CA 123.015 2.477 . . . . 72.21 112.761 -179.127 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.99 -15.96 58.04 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 116.092 -0.504 . . . . 71.43 111.001 178.017 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -49.82 -33.33 16.41 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 115.895 -0.593 . . . . 72.42 111.504 179.428 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 16.9 mt -106.45 11.67 30.52 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.6 -0.727 . . . . 63.52 110.913 -173.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 85.05 31.65 22.64 Favored Glycine 0 C--N 1.331 0.301 0 CA-C-N 115.828 -0.624 . . . . 51.22 111.762 -175.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -87.91 -133.06 4.06 Favored Glycine 0 C--N 1.334 0.471 0 C-N-CA 121.327 -0.463 . . . . 64.12 112.134 -177.454 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -102.61 -42.45 5.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.741 0.305 . . . . 71.25 111.111 -176.549 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 78.24 95.09 0.25 Allowed Glycine 0 N--CA 1.446 -0.683 0 C-N-CA 120.73 -0.748 . . . . 53.13 111.493 -179.278 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . 0.406 ' HB3' ' CB ' ' B' ' 31' ' ' SER . . . -159.17 -170.35 2.96 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.893 0.378 . . . . 75.21 111.943 -177.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -91.75 5.97 47.79 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 115.295 -0.866 . . . . 74.14 111.761 -174.272 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -80.92 -168.46 39.59 Favored Glycine 0 CA--C 1.517 0.203 0 C-N-CA 120.894 -0.669 . . . . 72.12 113.057 -173.069 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 44' ' ' THR . . . . . 0.541 ' H ' ' HA ' ' B' ' 30' ' ' LEU . 6.7 t -108.28 166.88 10.42 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.331 -0.618 . . . . 70.51 109.331 178.725 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 45' ' ' ASN . . . . . 0.66 ' HB2' ' HB3' ' B' ' 48' ' ' GLN . 2.7 m-20 -78.08 138.84 60.74 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 120.446 0.165 . . . . 71.14 111.219 -175.295 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 46' ' ' PRO . . . . . 0.629 ' HB3' ' SG ' ' A' ' 57' ' ' CYS . 26.0 Cg_exo -63.67 -52.31 1.92 Allowed 'Trans proline' 0 C--O 1.241 0.629 0 C-N-CA 123.079 2.519 . . . . 54.41 112.613 179.146 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 47' ' ' GLU . . . . . 0.417 ' OE2' ' HB3' ' B' ' 45' ' ' ASN . 3.3 pm0 -66.8 -33.46 75.67 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 121.085 0.469 . . . . 73.03 109.869 -178.054 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . 0.66 ' HB3' ' HB2' ' B' ' 45' ' ' ASN . 0.7 OUTLIER -64.78 -35.83 82.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.61 -0.723 . . . . 65.22 110.315 173.555 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -65.08 -51.09 63.43 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-N 116.034 -0.53 . . . . 73.15 109.664 179.278 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 75.1 t80 -59.92 -46.72 88.47 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 116.51 -0.313 . . . . 74.53 110.333 177.234 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . 0.483 ' HB1' ' HB3' ' B' ' 81' ' ' ALA . . . -56.45 -53.45 57.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.232 -0.44 . . . . 63.22 111.393 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 52' ' ' ALA . . . . . 0.68 ' HB2' ' HB2' ' A' ' 19' ' ' ALA . . . -61.65 -48.46 80.74 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 116.313 -0.403 . . . . 74.31 110.737 -177.893 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -61.42 -44.1 98.47 Favored Glycine 0 C--N 1.331 0.273 0 CA-C-N 115.877 -0.601 . . . . 73.22 112.198 -179.638 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -68.59 -36.2 78.39 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 122.496 0.318 . . . . 73.43 110.741 -179.335 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 55' ' ' SER . . . . . 0.53 ' OG ' ' HB2' ' B' ' 81' ' ' ALA . 66.3 m -66.93 -44.47 80.6 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.757 0.313 . . . . 71.55 110.626 179.768 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 56' ' ' ALA . . . . . 0.423 ' HB1' HD23 ' A' ' 30' ' ' LEU . . . -67.59 -41.77 83.55 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.164 0.507 . . . . 72.32 109.914 175.618 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 57' ' ' CYS . . . . . . . . . . . . . 41.2 t -59.64 -36.17 75.84 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.418 -0.81 . . . . 72.4 110.504 177.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 28.1 t80 -57.03 -34.7 68.47 Favored 'General case' 0 CA--C 1.529 0.148 0 CA-C-N 116.004 -0.544 . . . . 61.11 110.204 -177.654 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -68.06 -47.87 67.16 Favored 'General case' 0 CA--C 1.53 0.176 0 N-CA-C 109.319 -0.623 . . . . 73.31 109.319 177.63 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 15.1 m -56.31 -51.28 68.79 Favored 'General case' 0 C--O 1.243 0.763 0 CA-C-N 116.107 -0.497 . . . . 73.23 110.694 178.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . 0.524 ' HB2' ' SG ' ' B' ' 122' ' ' CYS . . . -58.84 -50.59 73.43 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.441 -0.799 . . . . 44.1 110.39 179.435 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 62' ' ' MET . . . . . 0.443 ' HE1' HD11 ' B' ' 73' ' ' LEU . 10.4 mtp -66.67 -23.11 66.1 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.458 -0.337 . . . . 71.0 111.318 179.477 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . 0.595 ' HB3' ' HZ1' ' B' ' 63' ' ' LYS . 6.3 ttpm? -67.57 -47.68 69.08 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 108.878 -0.786 . . . . 72.03 108.878 175.883 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 77.9 t80 -60.51 -48.46 81.65 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 115.454 -0.794 . . . . 73.11 110.101 175.191 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 44.0 t -57.35 -47.9 83.66 Favored 'Isoleucine or valine' 0 C--O 1.233 0.192 0 CA-C-N 115.629 -0.714 . . . . 75.05 111.304 179.461 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -58.15 -33.17 68.9 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.125 -0.489 . . . . 74.13 110.531 179.719 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -70.1 -28.71 71.26 Favored Glycine 0 N--CA 1.449 -0.439 0 CA-C-N 115.506 -0.77 . . . . 75.04 112.157 -176.483 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -98.9 -14.49 19.55 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.068 0.461 . . . . 64.5 110.313 179.203 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 7.4 m-80 -92.08 2.42 56.59 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 115.833 -0.621 . . . . 65.21 111.002 177.324 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 2.5 mptp? 64.15 25.3 13.66 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 115.788 -0.642 . . . . 73.12 111.518 175.753 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -119.87 165.67 14.3 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.743 -0.662 . . . . 74.24 110.273 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 19.4 p -125.24 139.54 53.64 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.385 -0.371 . . . . 74.12 110.582 179.389 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . 0.462 ' HA ' ' HD3' ' B' ' 74' ' ' PRO . 96.6 mt -109.46 139.34 21.03 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.271 -0.422 . . . . 75.15 110.493 179.202 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 74' ' ' PRO . . . . . 0.462 ' HD3' ' HA ' ' B' ' 73' ' ' LEU . 19.5 Cg_exo -67.42 129.67 20.72 Favored 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 122.941 2.427 . . . . 74.32 112.045 179.702 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -77.08 -12.24 59.91 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-O 121.014 0.435 . . . . 71.53 111.061 178.595 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -81.4 2.64 27.61 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-O 121.539 0.685 . . . . 60.22 111.093 -179.75 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 77' ' ' THR . . . . . 0.433 ' HA ' ' HD3' ' B' ' 104' ' ' PRO . 9.7 t -70.86 164.93 24.31 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.777 -0.647 . . . . 73.25 112.054 -175.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 28.2 m -145.65 149.38 34.38 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.49 -0.777 . . . . 71.23 109.746 176.646 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 79' ' ' VAL . . . . . 0.685 ' HB ' ' HG ' ' A' ' 11' ' ' SER . 57.4 t -128.42 151.95 35.9 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 N-CA-C 108.305 -0.998 . . . . 54.24 108.305 177.248 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 26.3 m -136.27 112.03 9.45 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.795 0.331 . . . . 75.2 110.619 176.596 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 81' ' ' ALA . . . . . 0.53 ' HB2' ' OG ' ' B' ' 55' ' ' SER . . . -93.44 104.79 16.91 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.061 -0.518 . . . . 73.43 110.027 177.334 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -101.66 107.55 18.82 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.248 -0.649 . . . . 71.23 109.248 178.663 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . 0.451 HG12 ' HB ' ' B' ' 97' ' ' VAL . 18.3 m -102.85 136.78 33.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 120.979 0.419 . . . . 71.44 111.039 -176.729 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 84' ' ' GLY . . . . . . . . . . . . . . . -134.52 151.52 20.37 Favored Glycine 0 N--CA 1.44 -1.053 0 N-CA-C 110.894 -0.882 . . . . 52.45 110.894 175.603 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -131.9 129.66 60.92 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.815 0 N-CA-C 108.996 -0.742 . . . . 73.1 108.996 -179.439 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 86' ' ' GLY . . . . . 0.405 ' HA2' ' HG ' ' A' ' 4' ' ' LEU . . . -150.54 169.71 30.43 Favored Glycine 0 C--N 1.329 0.147 0 O-C-N 124.239 0.962 . . . . 52.3 111.152 -178.485 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 87' ' ' PRO . . . . . 0.598 ' HD3' ' HG ' ' A' ' 4' ' ' LEU . 92.5 Cg_endo -81.61 141.74 12.52 Favored 'Trans proline' 0 N--CA 1.458 -0.583 0 C-N-CA 122.388 2.059 . . . . 70.05 112.095 -177.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 88' ' ' ASN . . . . . . . . . . . . . 32.9 p30 -95.24 168.19 10.89 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.883 -0.598 . . . . 72.3 109.889 177.411 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -63.86 -17.43 63.15 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.426 -0.352 . . . . 71.21 111.653 -178.114 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -75.4 -24.48 57.18 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 121.14 0.495 . . . . 74.05 110.485 177.44 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.41 8.3 38.32 Favored Glycine 0 C--O 1.237 0.297 0 CA-C-N 115.935 -0.575 . . . . 72.2 112.506 178.79 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . -105.09 -166.95 24.03 Favored Glycine 0 N--CA 1.451 -0.337 0 N-CA-C 110.904 -0.879 . . . . 70.13 110.904 176.437 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 93' ' ' PHE . . . . . 0.408 ' HE1' ' CZ ' ' A' ' 64' ' ' PHE . 40.9 m-85 -98.04 149.61 22.29 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.027 0.441 . . . . 73.12 110.555 179.31 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -135.84 132.66 36.92 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.538 -0.755 . . . . 62.21 109.651 -178.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -101.9 118.37 36.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.986 -0.552 . . . . 74.21 110.649 -178.517 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 96' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -110.21 110.27 21.05 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.395 -0.82 . . . . 73.53 109.123 176.477 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 97' ' ' VAL . . . . . 0.476 ' O ' ' HA ' ' B' ' 134' ' ' VAL . 1.5 p -112.34 110.82 33.62 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-O 121.572 0.701 . . . . 65.34 110.178 179.23 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -93.53 108.0 19.76 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.261 -0.881 . . . . 74.42 109.112 -178.743 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 22.4 tp -98.22 112.46 24.43 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.793 -0.639 . . . . 75.14 110.338 -173.132 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 100' ' ' ARG . . . . . 0.512 ' HA ' HG13 ' B' ' 137' ' ' VAL . 65.7 ttt180 -99.24 121.71 41.42 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.184 -0.462 . . . . 70.24 110.513 -176.741 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 101' ' ' VAL . . . . . . . . . . . . . 91.3 t -105.1 101.74 12.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.824 -0.626 . . . . 60.12 110.715 -177.409 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 102' ' ' ALA . . . . . 0.501 ' HA ' ' HB2' ' B' ' 139' ' ' ALA . . . -96.32 101.16 12.76 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.909 0.385 . . . . 53.32 110.017 177.371 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 103' ' ' LEU . . . . . 0.412 ' HB2' HD22 ' B' ' 106' ' ' LEU . 19.5 mt -111.02 118.75 47.44 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 115.92 -0.582 . . . . 72.24 109.715 179.764 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 104' ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' B' ' 77' ' ' THR . 57.7 Cg_endo -71.21 146.16 50.68 Favored 'Trans proline' 0 N--CA 1.461 -0.397 0 C-N-CA 122.497 2.132 . . . . 74.24 112.449 -177.496 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 105' ' ' GLY . . . . . . . . . . . . . . . 69.66 15.0 70.58 Favored Glycine 0 CA--C 1.521 0.429 0 CA-C-N 115.045 -0.979 . . . . 72.34 112.667 -179.019 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 106' ' ' LEU . . . . . 0.412 HD22 ' HB2' ' B' ' 103' ' ' LEU . 31.9 tp -123.36 135.82 54.35 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.264 0.554 . . . . 65.44 111.353 -177.599 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -76.44 148.54 37.2 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.092 -0.958 . . . . 63.12 110.643 177.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 108' ' ' ALA . . . . . 0.463 ' O ' ' HG3' ' B' ' 112' ' ' LYS . . . -64.46 -40.73 96.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.487 -0.324 . . . . 74.55 110.573 178.524 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -55.64 -50.52 69.97 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 115.933 -0.576 . . . . 64.51 110.808 179.647 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 110' ' ' ALA . . . . . 0.501 ' O ' HG23 ' B' ' 113' ' ' THR . . . -68.81 -41.99 77.89 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-O 121.127 0.489 . . . . 72.03 110.367 178.524 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 111' ' ' ALA . . . . . 0.405 ' O ' HG21 ' B' ' 115' ' ' VAL . . . -55.62 -35.86 66.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.741 -0.663 . . . . 64.14 111.173 -178.612 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 112' ' ' LYS . . . . . 0.463 ' HG3' ' O ' ' B' ' 108' ' ' ALA . 55.9 mtpt -54.07 -43.53 70.37 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 116.331 -0.395 . . . . 74.45 111.438 178.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 113' ' ' THR . . . . . 0.501 HG23 ' O ' ' B' ' 110' ' ' ALA . 1.5 t -81.64 -34.71 30.67 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.872 0.367 . . . . 72.03 110.251 -178.883 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 114' ' ' LEU . . . . . 0.45 ' HG ' ' O ' ' B' ' 110' ' ' ALA . 39.4 mt -63.27 -42.53 99.14 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-N 116.207 -0.451 . . . . 72.05 110.931 -179.57 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 115' ' ' VAL . . . . . 0.451 HG23 HG12 ' B' ' 138' ' ' VAL . 85.4 t -70.08 -32.68 52.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.378 -0.374 . . . . 63.55 110.332 178.445 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -61.06 -61.08 2.83 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 121.144 0.497 . . . . 75.43 110.013 177.417 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 117' ' ' ARG . . . . . 0.465 ' HG2' ' O ' ' B' ' 113' ' ' THR . 7.8 ptm180 -59.41 -43.66 92.96 Favored 'General case' 0 C--O 1.224 -0.253 0 CA-C-N 115.456 -0.793 . . . . 70.2 110.8 -178.916 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 118' ' ' ALA . . . . . 0.416 ' HB1' ' SD ' ' B' ' 62' ' ' MET . . . -58.8 -54.0 52.04 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-O 120.948 0.404 . . . . 61.11 111.24 -179.87 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 119' ' ' HIS . . . . . 0.518 ' NE2' HG21 ' B' ' 128' ' ' THR . 33.4 t60 -71.46 -0.85 11.37 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 116.016 -0.538 . . . . 74.31 110.895 -177.181 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 24.9 t60 -108.4 -40.01 5.27 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 116.209 -0.45 . . . . 73.32 111.71 178.235 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 35.0 m -80.03 -36.31 16.72 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.313 0 N-CA-C 111.394 0.146 . . . . 73.14 111.394 -174.381 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 122' ' ' CYS . . . . . 0.524 ' SG ' ' HB2' ' B' ' 61' ' ' ALA . 52.4 t -140.51 67.5 30.63 Favored Pre-proline 0 C--O 1.234 0.288 0 CA-C-O 121.003 0.43 . . . . 74.53 111.474 -178.42 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 123' ' ' PRO . . . . . . . . . . . . . 68.7 Cg_endo -91.45 155.24 3.64 Favored 'Trans proline' 0 N--CA 1.452 -0.942 0 C-N-CA 122.786 2.324 . . . . 65.25 110.792 171.246 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 124' ' ' TYR . . . . . 0.478 ' HE1' ' CG ' ' A' ' 50' ' ' PHE . 5.0 t80 -61.47 -29.73 70.15 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-O 121.357 0.598 . . . . 65.35 109.548 178.504 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 125' ' ' SER . . . . . 0.438 ' O ' HG22 ' B' ' 128' ' ' THR . 51.1 m -156.67 140.9 16.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.226 -0.897 . . . . 64.23 108.797 174.445 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 126' ' ' ASN . . . . . 0.466 ' O ' ' HG2' ' B' ' 129' ' ' ARG . 51.4 m-80 -56.51 -31.35 64.0 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-O 121.618 0.723 . . . . 74.24 110.517 177.397 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 127' ' ' ALA . . . . . 0.685 ' HB2' ' HB3' ' A' ' 127' ' ' ALA . . . -64.19 -1.67 1.71 Allowed 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.264 -0.88 . . . . 74.33 112.369 179.712 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 128' ' ' THR . . . . . 0.518 HG21 ' NE2' ' B' ' 119' ' ' HIS . 6.2 t -88.88 4.08 49.07 Favored 'General case' 0 CA--C 1.508 -0.639 0 N-CA-C 108.189 -1.041 . . . . 64.4 108.189 -168.552 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 129' ' ' ARG . . . . . 0.466 ' HG2' ' O ' ' B' ' 126' ' ' ASN . 13.2 ptt180 -128.61 -58.15 1.18 Allowed 'General case' 0 N--CA 1.435 -1.199 0 CA-C-N 115.127 -0.942 . . . . 75.21 111.961 178.109 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 130' ' ' ASN . . . . . 0.711 HD21 ' N ' ' B' ' 131' ' ' ASN . 0.2 OUTLIER -78.75 -33.15 46.75 Favored 'General case' 0 CA--C 1.512 -0.505 0 CA-C-O 122.176 0.989 . . . . 74.14 112.347 -176.342 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 131' ' ' ASN . . . . . 0.711 ' N ' HD21 ' B' ' 130' ' ' ASN . 3.7 t-20 -90.41 -44.16 9.82 Favored 'General case' 0 C--N 1.302 -1.47 0 CA-C-N 113.981 -1.463 . . . . 75.43 111.292 -176.628 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 132' ' ' VAL . . . . . 0.45 HG21 ' O ' ' B' ' 127' ' ' ALA . 48.0 t -108.07 121.08 60.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.886 -0.597 . . . . 62.31 109.494 -174.565 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 133' ' ' ALA . . . . . . . . . . . . . . . -69.4 88.71 0.48 Allowed 'General case' 0 C--O 1.237 0.404 0 CA-C-O 121.503 0.668 . . . . 72.23 111.691 -174.501 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 134' ' ' VAL . . . . . 0.476 ' HA ' ' O ' ' B' ' 97' ' ' VAL . 21.9 t -104.8 104.07 16.3 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.668 0 CA-C-N 115.028 -0.987 . . . . 64.53 109.82 174.467 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 6.3 tpp180 -74.17 101.31 3.92 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.702 -0.681 . . . . 74.32 109.248 -178.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 72.6 mt -76.62 121.62 23.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.017 0.437 . . . . 72.41 111.23 -177.323 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 137' ' ' VAL . . . . . 0.512 HG13 ' HA ' ' B' ' 100' ' ' ARG . 0.2 OUTLIER -130.94 129.63 63.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.441 -0.799 . . . . 74.23 109.598 179.369 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 138' ' ' VAL . . . . . 0.451 HG12 HG23 ' B' ' 115' ' ' VAL . 4.1 m -103.77 138.39 28.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 121.455 0.645 . . . . 70.52 110.529 -177.088 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 139' ' ' ALA . . . . . 0.501 ' HB2' ' HA ' ' B' ' 102' ' ' ALA . . . . . . . . 0 C--O 1.247 0.946 0 CA-C-N 115.192 -0.913 . . . . 71.35 110.294 -176.107 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.6 ptt? . . . . . 0 N--CA 1.484 1.234 0 CA-C-O 120.732 0.301 . . . . 71.43 110.703 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 46.5 t30 -73.5 76.96 1.44 Allowed 'General case' 0 CA--C 1.53 0.201 0 CA-C-O 121.351 0.596 . . . . 75.52 110.694 178.111 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.503 HG21 ' HB2' ' A' ' 6' ' ' LYS . 40.5 mm -73.95 130.61 35.82 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-N 115.769 -0.65 . . . . 51.02 112.154 177.139 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.636 ' HG ' ' HD3' ' B' ' 87' ' ' PRO . 90.5 mt -82.53 -50.14 9.13 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.252 -0.885 . . . . 74.21 109.962 174.357 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 27.4 t80 -136.49 132.02 34.75 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.016 -0.538 . . . . 73.42 109.645 -178.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.503 ' HB2' HG21 ' A' ' 3' ' ' ILE . 32.3 ttmt -131.92 146.54 52.17 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.999 0.428 . . . . 62.42 111.081 178.908 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.469 HG23 ' HB2' ' B' ' 48' ' ' GLN . 10.3 t -147.01 -179.51 6.86 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.363 -0.835 . . . . 73.02 108.91 172.077 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.406 ' O ' ' ND1' ' A' ' 22' ' ' HIS . . . -151.62 161.73 42.18 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.927 0.394 . . . . 64.34 110.661 -176.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -141.52 153.98 45.22 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.001 -0.545 . . . . 73.03 109.716 176.067 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 87.0 m -122.43 109.94 15.01 Favored 'General case' 0 N--CA 1.437 -1.098 0 N-CA-C 109.007 -0.738 . . . . 73.43 109.007 -172.457 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.504 ' HA ' ' O ' ' A' ' 18' ' ' ARG . 70.0 m -109.39 113.15 25.72 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 115.504 -0.771 . . . . 74.42 110.216 -179.209 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 4.0 m -95.47 157.27 15.97 Favored 'General case' 0 C--O 1.239 0.507 0 CA-C-N 115.692 -0.685 . . . . 72.12 110.829 -177.633 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -86.23 75.79 2.21 Favored Glycine 0 N--CA 1.447 -0.572 0 CA-C-N 115.815 -0.63 . . . . 62.44 111.586 175.38 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -65.88 -107.48 0.01 OUTLIER Glycine 0 C--N 1.332 0.356 0 C-N-CA 121.269 -0.491 . . . . 62.02 112.054 177.26 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.42 ' HD3' ' HA ' ' A' ' 15' ' ' ARG . 33.4 mmt180 -88.79 -51.73 5.49 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.86 -0.422 . . . . 73.04 109.86 174.251 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.53 ' HB3' ' HA ' ' A' ' 31' ' ' SER . 20.8 t70 -125.89 -42.48 1.9 Allowed 'General case' 0 N--CA 1.464 0.234 0 N-CA-C 109.831 -0.433 . . . . 74.22 109.831 171.754 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.408 ' O ' ' HG3' ' A' ' 29' ' ' LYS . . . -164.95 153.6 23.89 Favored Glycine 0 C--N 1.338 0.684 0 C-N-CA 120.284 -0.96 . . . . 73.12 111.961 165.846 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.541 ' HA ' ' HA ' ' A' ' 29' ' ' LYS . 0.8 OUTLIER -139.16 110.1 6.78 Favored 'General case' 0 C--O 1.221 -0.414 0 N-CA-C 109.48 -0.563 . . . . 73.24 109.48 178.848 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -109.61 124.13 50.63 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 120.708 0.29 . . . . 71.12 111.14 -174.458 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.442 HG22 ' O ' ' A' ' 26' ' ' LEU . 88.9 m -131.69 116.81 17.8 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.22 -0.446 . . . . 65.23 110.658 -179.118 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.517 ' CB ' ' HB3' ' A' ' 26' ' ' LEU . 28.3 t -69.35 115.06 8.19 Favored 'General case' 0 C--O 1.251 1.157 0 N-CA-C 107.707 -1.22 . . . . 62.3 107.707 176.247 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.424 ' C ' ' H ' ' A' ' 24' ' ' GLN . 3.4 p-80 -55.29 -27.19 45.05 Favored 'General case' 0 N--CA 1.472 0.673 0 O-C-N 126.459 2.349 . . . . 71.44 112.94 -162.083 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -80.45 14.97 1.79 Allowed 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.456 0.646 . . . . 73.43 109.676 -179.05 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.424 ' H ' ' C ' ' A' ' 22' ' ' HIS . 33.4 mm-40 71.41 17.27 5.84 Favored 'General case' 0 CA--C 1.514 -0.436 0 CA-C-N 114.397 -1.274 . . . . 72.53 110.347 173.342 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.446 ' NZ ' ' OD1' ' B' ' 45' ' ' ASN . 47.2 mtmt -89.0 -16.18 32.33 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 115.63 -0.714 . . . . 73.44 110.967 179.369 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.517 ' HB3' ' CB ' ' A' ' 21' ' ' SER . 62.2 tp -143.15 142.37 31.45 Favored 'General case' 0 C--O 1.218 -0.6 0 C-N-CA 119.232 -0.987 . . . . 74.42 110.578 174.047 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -155.65 97.43 1.85 Allowed 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.22 -0.659 . . . . 74.5 109.22 175.183 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 3.6 m -141.49 177.91 3.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 121.376 0.607 . . . . 62.12 111.482 179.367 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.541 ' HA ' ' HA ' ' A' ' 18' ' ' ARG . 17.2 ttmt -138.02 139.5 39.65 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 114.895 -1.048 . . . . 62.42 109.602 179.811 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.533 HD11 ' N ' ' A' ' 30' ' ' LEU . 0.0 OUTLIER -123.44 161.24 25.19 Favored 'General case' 0 C--O 1.251 1.182 0 CA-C-O 121.397 0.618 . . . . 73.21 110.812 179.196 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.53 ' HA ' ' HB3' ' A' ' 16' ' ' ASP . 56.1 m -157.88 119.13 3.54 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 114.518 -1.219 . . . . 75.34 109.414 -176.194 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.27 135.62 96.32 Favored Pre-proline 0 C--N 1.323 -0.548 0 CA-C-N 116.06 -0.518 . . . . 52.21 110.242 -179.547 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_exo -51.55 128.98 27.82 Favored 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 122.244 1.962 . . . . 73.33 111.206 176.546 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.405 ' HB2' ' N ' ' A' ' 40' ' ' GLY . 25.0 tpt180 -66.06 -12.94 58.82 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.941 -0.392 . . . . 64.52 109.941 -177.718 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.446 ' HB3' HD23 ' A' ' 36' ' ' LEU . 11.4 tp10 -51.55 -39.86 58.59 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-N 115.718 -0.674 . . . . 75.14 110.38 173.487 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.446 HD23 ' HB3' ' A' ' 35' ' ' GLU . 1.6 mm? -97.57 12.51 33.25 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 116.129 -0.487 . . . . 73.53 110.416 -179.239 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.52 23.81 38.46 Favored Glycine 0 CA--C 1.518 0.235 0 C-N-CA 121.222 -0.513 . . . . 72.22 112.329 -177.479 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -79.52 -126.86 0.57 Allowed Glycine 0 C--N 1.334 0.431 0 C-N-CA 121.32 -0.467 . . . . 73.44 112.067 179.521 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -121.3 -13.74 8.42 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.796 0.298 . . . . 63.22 111.768 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.405 ' N ' ' HB2' ' A' ' 34' ' ' ARG . . . 50.5 35.06 28.4 Favored Glycine 0 CA--C 1.524 0.615 0 C-N-CA 121.468 -0.396 . . . . 45.53 113.449 -176.809 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -99.45 -170.48 1.91 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.907 0.384 . . . . 51.12 111.248 -177.435 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -91.8 83.36 5.25 Favored 'General case' 0 CA--C 1.51 -0.581 0 CA-C-O 122.101 0.953 . . . . 71.23 110.648 -178.059 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -155.88 -162.81 11.64 Favored Glycine 0 C--N 1.306 -1.1 0 CA-C-N 113.709 -1.587 . . . . 55.55 111.516 174.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.464 HG21 ' HB3' ' A' ' 30' ' ' LEU . 9.0 t -113.44 179.05 4.07 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.81 -0.441 . . . . 74.01 109.81 175.839 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -104.56 129.1 25.59 Favored Pre-proline 0 C--N 1.33 -0.261 0 N-CA-C 109.475 -0.565 . . . . 72.33 109.475 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.454 ' HB3' ' HB2' ' B' ' 57' ' ' CYS . 88.5 Cg_exo -48.01 -45.49 24.94 Favored 'Trans proline' 0 CA--C 1.535 0.555 0 C-N-CA 123.134 2.556 . . . . 63.04 113.593 -174.724 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.9 mp0 -66.02 -35.83 81.61 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 121.024 0.44 . . . . 62.13 110.343 -177.134 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.401 ' NE2' ' HG ' ' B' ' 21' ' ' SER . 13.2 tt0 -67.08 -40.83 87.07 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.809 -0.632 . . . . 74.41 109.535 176.841 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -58.52 -50.48 73.6 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 115.467 -0.788 . . . . 71.11 109.844 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.453 ' CZ ' ' HE1' ' B' ' 124' ' ' TYR . 58.9 t80 -59.72 -52.34 65.9 Favored 'General case' 0 N--CA 1.462 0.142 0 CA-C-N 116.333 -0.394 . . . . 65.21 110.63 177.821 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.464 ' HB3' ' HB3' ' A' ' 81' ' ' ALA . . . -51.7 -50.86 59.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.893 -0.594 . . . . 52.03 111.596 -179.627 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.76 -47.39 86.55 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-O 120.946 0.403 . . . . 73.32 110.685 -179.609 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -62.61 -44.0 98.18 Favored Glycine 0 N--CA 1.451 -0.357 0 CA-C-N 115.714 -0.675 . . . . 45.35 112.594 -178.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -71.14 -36.26 72.02 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 122.172 0.189 . . . . 74.55 110.544 -178.272 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.492 ' OG ' ' HB2' ' A' ' 81' ' ' ALA . 67.7 m -65.95 -45.31 82.25 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.607 0.241 . . . . 73.1 110.42 178.688 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.34 -43.66 93.9 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-O 121.372 0.606 . . . . 72.41 109.895 175.324 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 51.5 t -57.62 -36.28 71.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.196 -0.911 . . . . 74.4 110.644 176.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 12.0 t80 -55.18 -37.98 67.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.015 -0.539 . . . . 74.24 110.524 -177.778 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -73.37 -32.6 64.59 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.246 -0.434 . . . . 74.12 110.626 178.27 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.458 ' O ' ' HB3' ' A' ' 63' ' ' LYS . 29.9 t -67.6 -43.58 80.13 Favored 'General case' 0 C--O 1.236 0.369 0 N-CA-C 109.503 -0.554 . . . . 74.4 109.503 177.071 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -60.4 -47.88 84.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.717 -0.674 . . . . 64.15 110.089 175.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 83.5 mmm -64.88 -26.68 68.43 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 115.963 -0.562 . . . . 61.32 110.919 177.299 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.488 ' HE3' ' HA ' ' B' ' 16' ' ' ASP . 19.0 ttmm -64.54 -49.36 71.55 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.156 -0.683 . . . . 62.32 109.156 175.654 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 76.3 t80 -65.3 -43.53 90.84 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 115.257 -0.883 . . . . 70.35 110.51 178.271 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 42.0 t -57.9 -49.59 80.61 Favored 'Isoleucine or valine' 0 C--O 1.233 0.192 0 CA-C-N 116.074 -0.512 . . . . 51.41 110.566 177.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -57.44 -33.82 68.33 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.132 -0.485 . . . . 55.45 110.244 178.738 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -66.53 -33.2 83.9 Favored Glycine 0 CA--C 1.518 0.238 0 CA-C-N 115.36 -0.837 . . . . 65.01 112.327 -178.171 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 8.0 pt20 -94.56 -16.18 23.48 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 121.256 0.55 . . . . 73.33 109.806 -179.73 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 11.1 m-80 -93.18 4.68 53.59 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.393 -0.821 . . . . 73.35 110.817 178.113 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.7 mptp? 57.19 34.54 24.96 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-O 121.36 0.6 . . . . 70.5 111.213 174.115 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -130.77 164.14 25.79 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.323 -0.853 . . . . 65.11 110.161 -179.755 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 24.8 p -127.9 136.97 52.11 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.261 -0.427 . . . . 71.13 110.11 177.166 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -109.42 142.98 26.83 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.403 -0.362 . . . . 64.52 110.5 -179.769 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.465 ' O ' HG22 ' A' ' 77' ' ' THR . 76.9 Cg_exo -53.51 132.91 51.17 Favored 'Trans proline' 0 C--N 1.349 0.598 0 C-N-CA 123.122 2.548 . . . . 75.32 112.778 179.024 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -76.99 1.83 16.63 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 121.311 0.577 . . . . 74.43 111.195 177.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -90.5 0.73 57.21 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.528 -0.76 . . . . 72.44 111.09 -178.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.499 ' OG1' HD23 ' A' ' 103' ' ' LEU . 4.3 t -72.96 152.42 41.39 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.451 -0.795 . . . . 74.0 110.799 -179.067 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 33.7 m -150.25 149.32 30.0 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.916 -0.584 . . . . 72.13 110.074 179.356 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.497 HG21 ' HA ' ' A' ' 101' ' ' VAL . 87.1 t -130.65 123.79 55.54 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 115.902 -0.59 . . . . 73.54 109.492 176.685 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 87.9 m -104.43 115.21 29.97 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.289 -0.414 . . . . 61.0 110.32 -179.466 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.492 ' HB2' ' OG ' ' A' ' 55' ' ' SER . . . -93.45 113.97 26.25 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.843 -0.617 . . . . 75.0 110.074 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.44 ' HG2' ' HD3' ' B' ' 6' ' ' LYS . 23.0 tt0 -114.86 107.74 15.81 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.241 -0.651 . . . . 75.53 109.241 -176.409 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 54.9 t -100.17 126.63 53.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.502 -0.772 . . . . 74.25 111.443 -171.799 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.443 ' HA2' ' HA ' ' B' ' 6' ' ' LYS . . . -123.9 157.72 18.35 Favored Glycine 0 N--CA 1.442 -0.906 0 N-CA-C 111.723 -0.551 . . . . 64.22 111.723 177.43 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.504 HD13 ' CD2' ' A' ' 93' ' ' PHE . 0.0 OUTLIER -142.59 130.63 20.27 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.787 0 N-CA-C 109.238 -0.653 . . . . 71.32 109.238 179.519 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . 0.54 ' HA2' ' HG ' ' B' ' 4' ' ' LEU . . . -139.96 169.91 24.5 Favored Glycine 0 CA--C 1.518 0.271 0 O-C-N 124.229 0.955 . . . . 64.2 111.336 179.679 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . 0.744 ' HD3' ' HG ' ' B' ' 4' ' ' LEU . 85.2 Cg_endo -87.62 141.75 5.66 Favored 'Trans proline' 0 N--CA 1.456 -0.681 0 C-N-CA 122.527 2.152 . . . . 75.13 112.39 -175.76 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 22.2 t-20 -103.35 146.27 28.72 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.732 -0.667 . . . . 63.43 109.39 177.465 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -60.79 -16.01 35.98 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 116.414 -0.357 . . . . 74.31 111.867 -177.06 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -67.57 -24.37 65.51 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 121.069 0.461 . . . . 62.35 110.716 178.133 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.16 34.93 3.54 Favored Glycine 0 N--CA 1.453 -0.198 0 CA-C-N 116.006 -0.543 . . . . 52.42 111.89 -178.034 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -146.8 -171.95 16.59 Favored Glycine 0 N--CA 1.449 -0.45 0 N-CA-C 110.93 -0.868 . . . . 74.12 110.93 178.317 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.504 ' CD2' HD13 ' A' ' 85' ' ' ILE . 47.0 m-85 -97.93 151.73 19.97 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.033 0.444 . . . . 72.25 110.451 179.715 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -132.84 127.83 35.35 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.429 -0.805 . . . . 73.43 109.085 -178.253 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -98.24 139.96 33.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.165 0.507 . . . . 75.45 111.43 -174.191 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -125.42 110.26 13.72 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 114.712 -1.131 . . . . 62.1 108.392 175.744 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 60.6 t -111.81 110.42 32.12 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.057 0 C-N-CA 120.904 -0.318 . . . . 41.42 110.81 -176.096 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.62 ' HG2' ' HD3' ' A' ' 135' ' ' ARG . 45.0 mt-10 -90.38 123.69 34.32 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.21 -0.45 . . . . 52.25 110.307 -178.867 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 75.0 mt -107.93 107.16 17.75 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 108.976 -0.75 . . . . 73.33 108.976 173.553 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.486 ' O ' ' HA ' ' A' ' 79' ' ' VAL . 90.3 mtt-85 -99.05 105.55 17.69 Favored 'General case' 0 CA--C 1.513 -0.478 0 N-CA-C 109.506 -0.553 . . . . 73.43 109.506 -175.877 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.497 ' HA ' HG21 ' A' ' 79' ' ' VAL . 47.1 t -100.2 106.37 19.11 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 CA-C-N 115.34 -0.845 . . . . 72.23 111.122 -171.235 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.517 ' HA ' ' HB3' ' A' ' 139' ' ' ALA . . . -103.16 101.33 11.28 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.934 0.397 . . . . 73.1 109.949 175.666 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.499 HD23 ' OG1' ' A' ' 77' ' ' THR . 0.5 OUTLIER -109.07 114.13 58.43 Favored Pre-proline 0 C--N 1.328 -0.349 0 N-CA-C 108.804 -0.813 . . . . 73.31 108.804 175.909 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . 0.472 ' HD2' HD13 ' A' ' 103' ' ' LEU . 45.1 Cg_endo -70.63 144.53 49.66 Favored 'Trans proline' 0 N--CA 1.456 -0.727 0 C-N-CA 121.952 1.768 . . . . 73.52 111.899 -177.107 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 70.42 15.13 72.57 Favored Glycine 0 CA--C 1.521 0.42 0 CA-C-N 115.337 -0.847 . . . . 54.45 112.977 -177.662 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 24.8 tp -117.36 137.67 52.3 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-O 121.014 0.435 . . . . 65.03 111.365 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -71.33 144.19 50.0 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-N 115.404 -0.816 . . . . 72.42 110.323 176.036 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -62.79 -43.9 97.59 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.85 0.357 . . . . 74.35 110.596 175.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . 0.419 ' HA ' ' HE2' ' A' ' 112' ' ' LYS . . . -55.6 -46.47 77.29 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 115.823 -0.626 . . . . 64.13 110.787 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . 0.415 ' O ' ' HG ' ' A' ' 114' ' ' LEU . . . -72.57 -39.88 67.06 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.959 -0.564 . . . . 73.25 110.25 179.296 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -55.37 -39.5 70.19 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.631 -0.713 . . . . 54.13 111.049 -178.591 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . 0.419 ' HE2' ' HA ' ' A' ' 109' ' ' ALA . 50.8 mtmt -51.29 -49.67 60.82 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.151 -0.477 . . . . 74.23 110.845 178.203 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' THR . . . . . 0.41 ' O ' ' HG2' ' A' ' 117' ' ' ARG . 0.7 OUTLIER -75.86 -39.62 56.24 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 116.132 -0.485 . . . . 74.22 110.65 -176.593 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.44 ' HA ' ' HD2' ' A' ' 117' ' ' ARG . 50.8 mt -60.48 -48.85 79.97 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 120.751 0.31 . . . . 61.01 110.538 -177.238 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 98.0 t -64.43 -32.64 58.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.846 -0.615 . . . . 72.22 110.187 177.579 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . 0.405 ' O ' ' HD2' ' A' ' 120' ' ' HIS . 26.5 t70 -65.56 -61.33 2.16 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 116.398 -0.364 . . . . 65.51 110.687 179.51 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . 0.44 ' HD2' ' HA ' ' A' ' 114' ' ' LEU . 2.0 ptp180 -58.59 -38.16 77.36 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-O 120.657 0.265 . . . . 65.24 110.88 -178.603 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -58.39 -44.51 88.96 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.238 0.542 . . . . 63.41 109.904 172.526 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 52.3 t60 -79.1 12.94 2.0 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-N 115.964 -0.562 . . . . 74.13 110.584 177.299 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . 0.405 ' HD2' ' O ' ' A' ' 116' ' ' ASP . 8.3 m-70 -108.12 -49.15 3.24 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 123.326 0.651 . . . . 75.14 109.43 169.89 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 32.0 m -92.38 -2.91 10.68 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.303 0 CA-C-N 115.762 -0.654 . . . . 74.54 111.739 -173.757 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' CYS . . . . . 0.514 ' N ' ' HD3' ' A' ' 123' ' ' PRO . 65.2 m -137.65 58.15 15.76 Favored Pre-proline 0 CA--C 1.536 0.433 0 CA-C-O 121.003 0.43 . . . . 72.12 110.921 176.536 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . 0.514 ' HD3' ' N ' ' A' ' 122' ' ' CYS . 43.0 Cg_endo -99.62 159.84 0.57 Allowed 'Trans proline' 0 N--CA 1.453 -0.896 0 C-N-CA 123.232 2.621 . . . . 75.04 112.398 176.736 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -90.13 -11.61 40.72 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.651 -0.5 . . . . 65.44 109.651 171.393 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 44.9 p 178.16 163.28 0.67 Allowed 'General case' 0 C--O 1.232 0.169 0 CA-C-N 115.308 -0.86 . . . . 65.33 109.34 177.363 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' ASN . . . . . 0.423 ' C ' ' H ' ' A' ' 128' ' ' THR . 1.7 m-20 -55.68 -31.23 62.24 Favored 'General case' 0 C--O 1.239 0.539 0 CA-C-O 121.972 0.891 . . . . 73.42 109.057 171.601 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . 0.889 ' HB3' ' HB1' ' B' ' 127' ' ' ALA . . . -67.72 6.49 0.65 Allowed 'General case' 0 C--O 1.221 -0.441 0 CA-C-N 114.253 -1.339 . . . . 54.1 112.472 -178.409 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' THR . . . . . 0.423 ' H ' ' C ' ' A' ' 126' ' ' ASN . 6.0 t -88.86 -7.74 55.57 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 108.099 -1.075 . . . . 73.21 108.099 -172.411 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 4.2 ptp180 -146.06 -46.64 0.2 Allowed 'General case' 0 N--CA 1.441 -0.924 0 CA-C-N 114.562 -1.199 . . . . 72.04 111.856 -179.215 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 53.0 m-80 -72.19 -51.3 21.8 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.121 -0.491 . . . . 71.52 110.654 -175.024 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -84.92 -39.79 17.77 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.769 -0.651 . . . . 72.12 111.899 -173.738 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 61.9 t -110.52 137.15 44.13 Favored 'Isoleucine or valine' 0 C--O 1.235 0.341 0 CA-C-O 120.839 0.352 . . . . 70.22 110.665 -170.807 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -74.1 89.81 1.99 Allowed 'General case' 0 C--O 1.238 0.475 0 CA-C-O 121.657 0.741 . . . . 45.42 111.591 -177.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 40.2 t -105.71 102.48 13.92 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.766 0 CA-C-N 115.089 -0.959 . . . . 75.02 109.649 172.648 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . 0.62 ' HD3' ' HG2' ' A' ' 98' ' ' GLU . 75.9 ttt180 -71.77 97.12 1.72 Allowed 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 114.495 -1.23 . . . . 74.34 110.228 -177.865 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 59.3 mt -74.09 116.01 14.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.761 -0.654 . . . . 50.04 110.553 177.725 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . 0.456 ' O ' ' HA ' ' A' ' 100' ' ' ARG . 0.1 OUTLIER -126.41 114.82 39.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 115.534 -0.757 . . . . 74.42 109.859 -178.914 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 10.5 m -102.21 138.68 25.58 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.552 0 CA-C-O 121.506 0.67 . . . . 71.15 111.32 -177.688 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . 0.517 ' HB3' ' HA ' ' A' ' 102' ' ' ALA . . . . . . . . 0 C--N 1.313 -1.016 0 CA-C-N 114.346 -1.297 . . . . 73.13 110.697 -177.562 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.456 ' HE3' ' HA3' ' A' ' 86' ' ' GLY . 28.7 ptm . . . . . 0 C--O 1.234 0.28 0 CA-C-O 120.956 0.407 . . . . 72.42 110.843 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 53.8 t30 -96.06 85.19 3.97 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.781 -0.645 . . . . 61.35 109.839 -179.645 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . 0.457 HG23 ' HB2' ' B' ' 6' ' ' LYS . 30.4 mm -69.01 124.23 24.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-N 115.829 -0.623 . . . . 72.42 111.893 -179.143 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . 0.744 ' HG ' ' HD3' ' A' ' 87' ' ' PRO . 87.2 mt -77.37 -40.78 42.69 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.072 -0.967 . . . . 75.25 109.97 174.263 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 5' ' ' TYR . . . . . . . . . . . . . 47.3 t80 -152.2 138.08 18.05 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 115.952 -0.567 . . . . 75.45 110.973 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . 0.457 ' HB2' HG23 ' B' ' 3' ' ' ILE . 31.0 ttmt -137.78 129.36 28.19 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.992 0.425 . . . . 65.01 110.755 176.317 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 9.9 t -118.34 164.07 15.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.42 -0.809 . . . . 73.02 109.194 178.528 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -133.21 150.11 51.99 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-O 121.3 0.571 . . . . 64.22 111.885 -175.078 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . 0.406 ' HA ' ' HA ' ' B' ' 21' ' ' SER . . . -145.03 116.99 8.28 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.691 -0.686 . . . . 71.2 109.898 177.128 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 9.3 t -92.66 118.07 30.65 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.102 0.477 . . . . 64.31 109.889 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 21.4 p -114.76 117.92 32.13 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.346 -0.388 . . . . 74.14 110.601 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 4.8 m -93.7 156.05 16.91 Favored 'General case' 0 C--O 1.24 0.599 0 CA-C-N 116.279 -0.419 . . . . 73.24 110.923 -178.378 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -83.13 72.29 2.87 Favored Glycine 0 N--CA 1.444 -0.789 0 N-CA-C 111.371 -0.692 . . . . 71.12 111.371 176.13 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -66.44 -154.89 0.31 Allowed Glycine 0 C--N 1.335 0.498 0 C-N-CA 121.042 -0.599 . . . . 73.4 112.408 177.403 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 39.7 ttm180 -53.85 -46.39 71.22 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 120.79 0.329 . . . . 65.14 110.145 -178.049 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 16' ' ' ASP . . . . . 0.495 ' HB3' ' HA ' ' B' ' 31' ' ' SER . 11.0 t70 -125.75 -43.34 1.86 Allowed 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 109.914 -0.402 . . . . 65.33 109.914 171.671 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 17' ' ' GLY . . . . . 0.501 ' O ' ' HG3' ' B' ' 29' ' ' LYS . . . -171.04 156.49 26.61 Favored Glycine 0 C--N 1.345 1.05 0 C-N-CA 120.465 -0.874 . . . . 74.22 111.446 164.25 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 18' ' ' ARG . . . . . 0.594 ' HA ' ' HA ' ' B' ' 29' ' ' LYS . 0.0 OUTLIER -139.78 134.66 32.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 117.339 0.57 . . . . 74.4 109.797 178.816 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -133.8 128.0 33.84 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 120.74 0.305 . . . . 64.31 111.44 -175.784 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 89.2 m -133.69 117.19 16.69 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.265 -0.425 . . . . 75.11 110.267 177.263 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 21' ' ' SER . . . . . 0.56 ' HB3' ' N ' ' B' ' 26' ' ' LEU . 14.9 t -73.77 113.58 11.08 Favored 'General case' 0 C--O 1.247 0.945 0 N-CA-C 108.467 -0.938 . . . . 74.21 108.467 175.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 22' ' ' HIS . . . . . 0.473 ' C ' ' H ' ' B' ' 24' ' ' GLN . 11.4 t-80 -49.98 -32.7 15.72 Favored 'General case' 0 N--CA 1.469 0.481 0 O-C-N 126.302 2.252 . . . . 73.12 112.984 -170.728 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -80.11 19.46 0.73 Allowed 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.194 0.521 . . . . 63.54 109.765 -175.404 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . 0.473 ' H ' ' C ' ' B' ' 22' ' ' HIS . 27.8 mm-40 65.77 21.91 11.51 Favored 'General case' 0 CA--C 1.519 -0.242 0 CA-C-N 115.029 -0.987 . . . . 71.43 109.43 178.832 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.514 ' HB2' ' OG ' ' B' ' 21' ' ' SER . 9.7 mmpt? -80.66 -30.87 36.51 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 114.794 -1.094 . . . . 41.25 109.89 178.439 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . 0.56 ' N ' ' HB3' ' B' ' 21' ' ' SER . 56.9 tp -149.59 148.61 29.55 Favored 'General case' 0 C--N 1.345 0.412 0 C-N-CA 119.92 -0.712 . . . . 73.34 111.191 -177.094 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -158.26 90.86 1.06 Allowed 'General case' 0 N--CA 1.465 0.288 0 O-C-N 123.61 0.569 . . . . 53.33 109.754 174.175 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . 0.443 HG21 HD13 ' B' ' 26' ' ' LEU . 5.9 m -146.53 178.1 1.19 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.436 0 CA-C-O 121.473 0.654 . . . . 74.12 111.783 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.594 ' HA ' ' HA ' ' B' ' 18' ' ' ARG . 21.5 tttm -126.29 140.93 52.14 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 114.72 -1.127 . . . . 74.12 109.513 176.863 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . 0.532 ' HA ' ' H ' ' B' ' 44' ' ' THR . 0.0 OUTLIER -121.74 165.16 16.24 Favored 'General case' 0 C--O 1.257 1.472 0 CA-C-O 121.089 0.471 . . . . 72.32 110.201 178.129 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 31' ' ' SER . . . . . 0.495 ' HA ' ' HB3' ' B' ' 16' ' ' ASP . 50.1 m -162.18 129.33 3.81 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 115.389 -0.823 . . . . 62.35 111.479 -171.412 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -66.18 145.66 99.0 Favored Pre-proline 0 N--CA 1.453 -0.305 0 CA-C-N 116.011 -0.54 . . . . 75.13 109.815 172.739 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 33' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -68.26 4.83 1.4 Allowed 'Trans proline' 0 C--N 1.348 0.543 0 C-N-CA 122.833 2.356 . . . . 72.21 113.001 -175.279 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 34' ' ' ARG . . . . . 0.534 ' HB2' ' CA ' ' B' ' 40' ' ' GLY . 0.0 OUTLIER 76.23 -42.35 0.44 Allowed 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 123.667 0.787 . . . . 71.43 111.255 177.541 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 16.3 tp10 -43.73 -31.45 0.8 Allowed 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 123.611 0.765 . . . . 72.42 112.969 -173.211 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . 0.528 ' HG ' HD13 ' B' ' 85' ' ' ILE . 1.6 mm? -95.88 -37.41 10.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.888 0.375 . . . . 63.52 110.31 -177.743 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 153.39 54.67 0.01 OUTLIER Glycine 0 C--N 1.331 0.275 0 CA-C-N 115.929 -0.578 . . . . 51.22 112.632 179.629 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -122.68 -139.01 5.44 Favored Glycine 0 N--CA 1.449 -0.477 0 N-CA-C 111.148 -0.781 . . . . 64.12 111.148 176.386 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -118.54 -11.34 9.93 Favored 'General case' 0 C--N 1.322 -0.629 0 C-N-CA 122.242 0.217 . . . . 71.25 111.557 -178.236 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 40' ' ' GLY . . . . . 0.534 ' CA ' ' HB2' ' B' ' 34' ' ' ARG . . . 54.3 64.08 4.61 Favored Glycine 0 C--N 1.334 0.42 0 CA-C-N 116.324 -0.398 . . . . 53.13 112.933 -178.281 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . 0.463 ' HB2' ' OG ' ' B' ' 31' ' ' SER . . . -114.75 172.15 7.21 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.019 0.437 . . . . 75.21 111.635 -177.056 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -66.55 77.29 0.11 Allowed 'General case' 0 CA--C 1.538 0.495 0 CA-C-N 115.441 -0.799 . . . . 74.14 111.226 177.541 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -159.57 -178.51 33.64 Favored Glycine 0 N--CA 1.453 -0.183 0 C-N-CA 120.533 -0.841 . . . . 72.12 113.107 177.701 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 44' ' ' THR . . . . . 0.532 ' H ' ' HA ' ' B' ' 30' ' ' LEU . 30.3 m -90.6 140.57 29.63 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 110.171 -0.307 . . . . 70.51 110.171 -178.763 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 45' ' ' ASN . . . . . 0.736 ' HB2' ' HB3' ' B' ' 48' ' ' GLN . 1.3 m-20 -61.07 138.66 94.3 Favored Pre-proline 0 C--N 1.328 -0.339 0 N-CA-C 109.63 -0.507 . . . . 71.14 109.63 178.325 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 46' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -58.03 -50.24 10.64 Favored 'Trans proline' 0 C--N 1.348 0.551 0 C-N-CA 122.655 2.237 . . . . 54.41 112.528 -179.541 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 47' ' ' GLU . . . . . 0.42 ' OE1' ' HB3' ' B' ' 45' ' ' ASN . 0.0 OUTLIER -64.05 -43.06 96.67 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-O 120.811 0.338 . . . . 73.03 110.148 179.693 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . 0.736 ' HB3' ' HB2' ' B' ' 45' ' ' ASN . 33.2 tt0 -59.1 -43.34 91.85 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.697 -0.683 . . . . 65.22 111.511 176.891 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -61.92 -48.25 81.3 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.43 -0.582 . . . . 73.15 109.43 179.709 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 20.1 t80 -60.8 -44.39 96.9 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.432 -0.804 . . . . 74.53 111.118 177.298 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . 0.422 ' HB1' HG13 ' B' ' 83' ' ' VAL . . . -53.58 -50.8 64.82 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.206 -0.452 . . . . 63.22 110.662 177.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -58.94 -45.99 89.08 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 115.693 -0.685 . . . . 74.31 110.684 178.354 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -64.63 -37.6 94.6 Favored Glycine 0 CA--C 1.52 0.393 0 CA-C-N 115.83 -0.623 . . . . 73.22 112.657 -179.549 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -72.1 -40.79 67.93 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 122.507 0.323 . . . . 73.43 110.168 -177.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 55' ' ' SER . . . . . 0.568 ' HB3' ' HB2' ' B' ' 81' ' ' ALA . 17.6 p -64.79 -46.19 83.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.879 0.371 . . . . 71.55 110.189 178.149 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 56' ' ' ALA . . . . . 0.474 ' HB2' HD21 ' A' ' 30' ' ' LEU . . . -62.77 -44.66 95.61 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 116.025 -0.534 . . . . 72.32 110.556 176.81 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 57' ' ' CYS . . . . . 0.454 ' HB2' ' HB3' ' A' ' 46' ' ' PRO . 39.1 t -61.15 -40.95 95.77 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.671 -0.695 . . . . 72.4 110.478 178.594 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 31.8 t80 -64.79 -36.49 84.47 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 116.044 -0.525 . . . . 61.11 109.924 -177.024 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 6.1 tt -69.72 -49.54 52.29 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 115.922 -0.581 . . . . 73.31 110.18 -179.139 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 60' ' ' SER . . . . . 0.546 ' O ' ' HB3' ' B' ' 63' ' ' LYS . 25.6 t -64.87 -41.59 95.53 Favored 'General case' 0 C--O 1.237 0.446 0 CA-C-O 121.228 0.537 . . . . 73.23 110.384 -179.433 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -64.66 -44.28 90.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 44.1 110.244 177.526 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 62' ' ' MET . . . . . 0.656 ' HA ' ' HE3' ' B' ' 62' ' ' MET . 3.2 tpt -59.69 -37.18 78.11 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-O 121.3 0.572 . . . . 71.0 109.706 176.852 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . 0.546 ' HB3' ' O ' ' B' ' 60' ' ' SER . 80.6 tttt -58.9 -50.62 73.34 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 115.105 -0.952 . . . . 72.03 110.303 175.635 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 81.6 t80 -63.85 -44.54 92.86 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 116.313 -0.403 . . . . 73.11 110.931 178.448 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 44.1 t -56.28 -41.77 71.74 Favored 'Isoleucine or valine' 0 C--O 1.235 0.301 0 CA-C-N 116.086 -0.506 . . . . 75.05 110.976 -179.64 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -54.19 -32.95 56.99 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.013 0.435 . . . . 74.13 110.552 177.711 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -72.07 -26.2 72.94 Favored Glycine 0 N--CA 1.451 -0.308 0 CA-C-N 115.577 -0.738 . . . . 75.04 112.679 -177.128 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -99.1 -14.71 19.28 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 121.277 0.561 . . . . 64.5 109.509 179.16 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -94.54 -5.34 46.19 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.363 -0.835 . . . . 65.21 110.514 176.831 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 70' ' ' LYS . . . . . 0.48 ' HD3' ' N ' ' B' ' 70' ' ' LYS . 11.7 mmtp 67.07 24.23 9.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.229 -0.896 . . . . 73.12 110.859 173.5 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -112.48 168.04 9.97 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.568 -0.742 . . . . 74.24 110.11 178.789 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 1.2 p -127.15 134.68 50.15 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.923 -0.581 . . . . 74.12 110.207 -179.576 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . 0.502 HD13 ' HG3' ' B' ' 62' ' ' MET . 87.9 mt -109.3 144.76 30.42 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 116.371 -0.377 . . . . 75.15 110.996 -176.632 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 74' ' ' PRO . . . . . 0.632 ' HD2' HD13 ' B' ' 103' ' ' LEU . 24.6 Cg_exo -64.3 120.55 7.91 Favored 'Trans proline' 0 C--N 1.349 0.571 0 C-N-CA 122.596 2.197 . . . . 74.32 111.37 174.049 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -76.92 -3.6 39.59 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.907 0.384 . . . . 71.53 111.264 -177.158 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -91.77 10.23 29.33 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-O 121.382 0.61 . . . . 60.22 110.736 -179.393 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 77' ' ' THR . . . . . 0.484 ' HB ' HD12 ' B' ' 103' ' ' LEU . 9.1 t -80.79 172.75 13.36 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.933 -0.576 . . . . 73.25 112.204 -176.33 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 22.2 m -152.0 149.25 28.68 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 115.887 -0.597 . . . . 71.23 110.4 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 96.6 t -127.0 125.13 65.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 N-CA-C 109.867 -0.42 . . . . 54.24 109.867 176.72 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 80' ' ' THR . . . . . 0.472 ' HB ' ' HB2' ' B' ' 100' ' ' ARG . 24.2 m -110.7 113.57 26.27 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.118 -0.492 . . . . 75.2 110.253 -179.764 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 81' ' ' ALA . . . . . 0.568 ' HB2' ' HB3' ' B' ' 55' ' ' SER . . . -93.25 107.87 19.61 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.439 -0.346 . . . . 73.43 110.367 -178.748 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -102.25 115.47 30.62 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.519 -0.549 . . . . 71.23 109.519 178.232 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . 0.422 HG13 ' HB1' ' B' ' 51' ' ' ALA . 16.7 m -117.35 140.68 39.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 121.004 0.431 . . . . 71.44 111.1 -177.491 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 84' ' ' GLY . . . . . . . . . . . . . . . -132.01 149.09 19.31 Favored Glycine 0 N--CA 1.442 -0.904 0 N-CA-C 111.263 -0.735 . . . . 52.45 111.263 175.048 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 85' ' ' ILE . . . . . 0.528 HD13 ' HG ' ' B' ' 36' ' ' LEU . 0.0 OUTLIER -123.28 130.91 74.01 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 N-CA-C 109.258 -0.645 . . . . 73.1 109.258 -179.876 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 86' ' ' GLY . . . . . 0.546 ' HA2' ' HG ' ' A' ' 4' ' ' LEU . . . -141.63 170.29 24.84 Favored Glycine 0 C--N 1.332 0.315 0 O-C-N 124.033 0.833 . . . . 52.3 111.151 -176.08 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 87' ' ' PRO . . . . . 0.636 ' HD3' ' HG ' ' A' ' 4' ' ' LEU . 7.3 Cg_endo -81.24 126.18 5.47 Favored 'Trans proline' 0 N--CA 1.455 -0.751 0 C-N-CA 122.528 2.152 . . . . 70.05 112.05 -175.041 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 88' ' ' ASN . . . . . . . . . . . . . 54.0 t-20 -76.22 130.91 38.9 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 108.872 -0.788 . . . . 72.3 108.872 176.531 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -61.24 -15.21 32.27 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.953 0.406 . . . . 71.21 110.979 -177.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -67.18 -17.49 64.86 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 115.836 -0.62 . . . . 74.05 110.895 177.023 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.61 35.34 3.31 Favored Glycine 0 N--CA 1.454 -0.115 0 CA-C-N 115.972 -0.558 . . . . 72.2 111.767 -176.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . -150.05 -149.51 5.03 Favored Glycine 0 C--N 1.33 0.228 0 N-CA-C 111.325 -0.71 . . . . 70.13 111.325 178.184 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 93' ' ' PHE . . . . . . . . . . . . . 68.0 m-85 -111.48 162.88 14.63 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 117.054 0.427 . . . . 73.12 110.456 177.798 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -149.21 142.36 24.98 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.832 -0.622 . . . . 62.21 110.154 -179.172 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -102.6 149.19 24.67 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-O 121.052 0.453 . . . . 74.21 110.687 178.764 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 96' ' ' ASP . . . . . . . . . . . . . 48.5 t0 -137.04 110.18 7.77 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 108.093 -1.077 . . . . 73.53 108.093 175.636 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 97' ' ' VAL . . . . . 0.433 HG12 HG12 ' B' ' 134' ' ' VAL . 2.6 p -113.98 116.52 52.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 121.706 0.765 . . . . 65.34 111.514 -173.155 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 98' ' ' GLU . . . . . 0.542 ' HG2' ' HB2' ' B' ' 135' ' ' ARG . 49.6 mt-10 -104.41 113.55 27.18 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 114.839 -1.073 . . . . 74.42 109.433 178.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 90.5 mt -94.58 116.97 29.4 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.037 -0.528 . . . . 75.14 110.125 -177.617 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 100' ' ' ARG . . . . . 0.562 ' HA ' ' O ' ' B' ' 137' ' ' VAL . 98.5 mtt180 -99.03 120.13 38.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.093 -0.503 . . . . 70.24 110.112 -177.646 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 101' ' ' VAL . . . . . . . . . . . . . 83.9 t -105.33 112.3 38.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 115.537 -0.756 . . . . 60.12 110.646 -177.564 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -107.23 100.96 10.38 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.624 -0.509 . . . . 53.32 109.624 174.512 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 103' ' ' LEU . . . . . 0.807 HD22 HD22 ' B' ' 106' ' ' LEU . 23.7 tp -114.02 116.61 44.73 Favored Pre-proline 0 C--N 1.327 -0.383 0 N-CA-C 108.334 -0.987 . . . . 72.24 108.334 -179.433 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 104' ' ' PRO . . . . . 0.496 ' HD2' HD12 ' B' ' 103' ' ' LEU . 61.6 Cg_endo -71.19 145.72 49.71 Favored 'Trans proline' 0 N--CA 1.462 -0.324 0 C-N-CA 122.472 2.114 . . . . 74.24 113.664 -169.054 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 105' ' ' GLY . . . . . . . . . . . . . . . 70.57 14.86 72.71 Favored Glycine 0 CA--C 1.519 0.313 0 CA-C-N 114.693 -1.139 . . . . 72.34 112.76 -179.8 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 106' ' ' LEU . . . . . 0.807 HD22 HD22 ' B' ' 103' ' ' LEU . 30.9 tp -115.09 140.28 49.19 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-O 121.183 0.516 . . . . 65.44 111.927 -175.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -76.01 144.57 40.8 Favored 'General case' 0 N--CA 1.462 0.134 0 CA-C-N 115.529 -0.76 . . . . 63.12 110.242 174.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -64.03 -36.86 85.37 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.921 0.391 . . . . 74.55 110.824 -179.771 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -60.52 -51.39 69.66 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.089 -0.505 . . . . 64.51 110.462 179.288 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 110' ' ' ALA . . . . . 0.485 ' O ' HG23 ' B' ' 113' ' ' THR . . . -66.69 -37.76 85.39 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-O 121.21 0.528 . . . . 72.03 110.22 178.409 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 111' ' ' ALA . . . . . 0.445 ' HA ' HD23 ' B' ' 106' ' ' LEU . . . -57.01 -41.2 78.1 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.667 -0.697 . . . . 64.14 110.978 179.758 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 112' ' ' LYS . . . . . . . . . . . . . 59.5 mttp -54.94 -35.48 64.26 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 116.247 -0.433 . . . . 74.45 111.356 178.142 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 113' ' ' THR . . . . . 0.485 HG23 ' O ' ' B' ' 110' ' ' ALA . 0.6 OUTLIER -82.25 -35.78 27.78 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-O 120.727 0.299 . . . . 72.03 110.608 179.326 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 58.8 mt -66.8 -45.26 78.95 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-O 120.852 0.358 . . . . 72.05 110.799 -178.526 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 115' ' ' VAL . . . . . 0.489 HG22 HG13 ' B' ' 138' ' ' VAL . 57.8 t -65.72 -32.4 58.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 121.087 0.47 . . . . 63.55 110.128 177.283 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -60.32 -61.18 2.79 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.768 -0.651 . . . . 75.43 110.585 177.509 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 117' ' ' ARG . . . . . 0.413 ' HG2' ' O ' ' B' ' 113' ' ' THR . 7.0 ptm180 -61.52 -36.39 80.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.663 -0.699 . . . . 70.2 110.787 -178.292 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 118' ' ' ALA . . . . . 0.628 ' HB1' ' SD ' ' B' ' 62' ' ' MET . . . -65.04 -47.34 77.72 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.493 -0.776 . . . . 61.11 111.241 178.639 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -74.77 -0.32 17.85 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-O 120.794 0.33 . . . . 74.31 111.024 -174.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 15.0 t60 -65.93 -44.17 85.89 Favored 'General case' 0 C--N 1.332 -0.196 0 N-CA-C 108.824 -0.806 . . . . 73.32 108.824 173.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 23.5 m -89.89 59.58 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.34 -0.846 . . . . 73.14 109.468 175.664 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 122' ' ' CYS . . . . . 0.403 ' HA ' ' HD3' ' B' ' 123' ' ' PRO . 41.8 t -65.13 114.99 17.33 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 115.119 -0.946 . . . . 74.53 109.982 -177.76 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 123' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' B' ' 122' ' ' CYS . 53.1 Cg_exo -55.07 -50.71 12.23 Favored 'Trans proline' 0 C--N 1.352 0.713 0 C-N-CA 123.248 2.632 . . . . 65.25 113.125 -173.168 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 124' ' ' TYR . . . . . 0.723 ' HB3' HG23 ' B' ' 128' ' ' THR . 23.3 t80 -62.78 -54.85 32.67 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 116.475 -0.329 . . . . 65.35 110.69 -176.316 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 125' ' ' SER . . . . . 0.597 ' O ' HG22 ' B' ' 128' ' ' THR . 29.8 t 173.53 164.2 0.16 Allowed 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 121.161 0.505 . . . . 64.23 111.514 -177.889 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 126' ' ' ASN . . . . . 0.422 ' OD1' ' N ' ' B' ' 127' ' ' ALA . 29.9 p30 -72.43 -35.26 68.28 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 115.727 -0.67 . . . . 74.24 110.032 171.232 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 127' ' ' ALA . . . . . 0.889 ' HB1' ' HB3' ' A' ' 127' ' ' ALA . . . -78.38 6.03 9.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.783 -0.644 . . . . 74.33 111.366 -177.092 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 128' ' ' THR . . . . . 0.723 HG23 ' HB3' ' B' ' 124' ' ' TYR . 1.4 t -107.51 -2.78 20.06 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.494 -0.558 . . . . 64.4 109.494 178.9 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 129' ' ' ARG . . . . . 0.426 ' HG3' ' N ' ' B' ' 130' ' ' ASN . 13.3 ptm180 -121.95 -43.89 2.33 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-N 115.597 -0.728 . . . . 75.21 110.38 178.447 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 130' ' ' ASN . . . . . 0.426 ' N ' ' HG3' ' B' ' 129' ' ' ARG . 13.7 m120 -78.48 -51.99 9.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.078 -0.51 . . . . 74.14 110.323 178.901 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 131' ' ' ASN . . . . . 0.527 ' HB3' ' O ' ' B' ' 127' ' ' ALA . 9.7 t30 -73.56 -43.98 58.53 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.937 -0.574 . . . . 75.43 110.519 -178.609 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 132' ' ' VAL . . . . . . . . . . . . . 55.9 t -86.18 144.93 8.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.939 -0.573 . . . . 62.31 109.839 178.77 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 133' ' ' ALA . . . . . 0.637 ' HB3' ' NH1' ' B' ' 135' ' ' ARG . . . -78.97 101.38 7.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.97 0.414 . . . . 72.23 111.334 -176.767 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 134' ' ' VAL . . . . . 0.433 HG12 HG12 ' B' ' 97' ' ' VAL . 6.8 t -120.88 134.77 63.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 115.751 -0.659 . . . . 64.53 110.611 178.748 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 135' ' ' ARG . . . . . 0.637 ' NH1' ' HB3' ' B' ' 133' ' ' ALA . 1.7 mpt_? -114.38 120.49 40.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.119 -0.492 . . . . 74.32 110.017 175.64 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 136' ' ' LEU . . . . . 0.413 HD13 HG13 ' B' ' 115' ' ' VAL . 72.8 mt -87.16 107.08 18.3 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.336 0.589 . . . . 72.41 110.879 178.494 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 137' ' ' VAL . . . . . 0.562 ' O ' ' HA ' ' B' ' 100' ' ' ARG . 0.2 OUTLIER -112.14 115.18 49.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.256 -0.884 . . . . 74.23 110.105 -179.035 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 138' ' ' VAL . . . . . 0.489 HG13 HG22 ' B' ' 115' ' ' VAL . 2.8 m -98.56 138.48 23.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.846 -0.616 . . . . 70.52 110.12 -177.663 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 139' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.292 0 CA-C-N 115.722 -0.672 . . . . 71.35 110.903 -176.038 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.413 ' HE3' ' HB1' ' B' ' 94' ' ' ALA . 16.9 ptt? . . . . . 0 N--CA 1.484 1.227 0 N-CA-C 110.027 -0.36 . . . . 71.43 110.027 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 53.5 t30 -70.62 71.78 0.5 Allowed 'General case' 0 CA--C 1.534 0.327 0 CA-C-O 121.364 0.602 . . . . 75.52 110.496 175.62 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.508 HG21 ' HB2' ' A' ' 6' ' ' LYS . 24.8 mm -75.9 134.03 29.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.803 -0.635 . . . . 51.02 111.497 177.594 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.702 ' HG ' ' HA2' ' B' ' 86' ' ' GLY . 60.8 mt -88.62 -46.83 8.74 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.215 -0.902 . . . . 74.21 109.092 171.014 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 42.3 t80 -139.7 132.61 29.3 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 115.872 -0.604 . . . . 73.42 110.255 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.508 ' HB2' HG21 ' A' ' 3' ' ' ILE . 30.0 ttmt -139.48 134.41 32.24 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.74 0.305 . . . . 62.42 110.391 175.614 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 15.2 t -143.13 170.58 15.45 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.615 -0.513 . . . . 73.02 109.615 177.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.509 ' HA ' ' HA ' ' B' ' 82' ' ' GLU . . . -133.83 156.47 47.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.287 0.565 . . . . 64.34 112.33 -173.866 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -132.6 121.39 23.14 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.348 -0.842 . . . . 73.03 108.879 171.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.462 ' HA ' ' HA ' ' B' ' 80' ' ' THR . 8.1 t -100.27 120.63 40.21 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.715 -0.476 . . . . 73.43 109.715 -176.042 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 97.7 p -103.57 120.5 41.01 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.032 -0.531 . . . . 74.42 110.178 -179.636 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.605 ' HA ' HG23 ' B' ' 78' ' ' THR . 3.3 m -96.71 156.79 16.19 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.432 -0.349 . . . . 72.12 110.165 179.146 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -75.1 66.15 2.22 Favored Glycine 0 N--CA 1.443 -0.867 0 C-N-CA 120.91 -0.662 . . . . 62.44 112.626 176.285 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -63.17 -165.24 0.6 Allowed Glycine 0 C--N 1.34 0.766 0 C-N-CA 120.808 -0.711 . . . . 62.02 111.994 171.574 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 96.0 mtt180 -47.38 -48.18 25.95 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 116.941 0.371 . . . . 73.04 111.1 -176.608 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.54 ' HB3' ' HA ' ' A' ' 31' ' ' SER . 23.4 t0 -125.79 -43.0 1.88 Allowed 'General case' 0 CA--C 1.515 -0.401 0 N-CA-C 109.37 -0.604 . . . . 74.22 109.37 166.843 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -158.85 147.95 16.27 Favored Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 119.504 -1.332 . . . . 73.12 112.475 169.209 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 45.5 ttp180 -123.28 144.38 49.45 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.459 -0.941 . . . . 73.24 108.459 172.019 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -136.42 123.78 21.98 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.818 -0.438 . . . . 71.12 109.818 -177.596 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.404 ' HA ' ' O ' ' A' ' 26' ' ' LEU . 11.2 m -130.76 114.3 15.18 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.261 -0.427 . . . . 65.23 110.497 -176.317 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.594 ' CB ' ' HB3' ' A' ' 26' ' ' LEU . 35.9 t -66.6 108.03 2.3 Favored 'General case' 0 C--O 1.254 1.33 0 N-CA-C 107.418 -1.327 . . . . 62.3 107.418 175.679 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 30.8 t-80 -62.99 -9.07 8.62 Favored 'General case' 0 C--N 1.349 0.576 0 O-C-N 126.703 2.502 . . . . 71.44 111.603 -171.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.428 ' OD1' ' HE3' ' A' ' 25' ' ' LYS . 27.7 t70 -79.72 8.43 6.67 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 108.204 -1.035 . . . . 73.43 108.204 173.723 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 29.9 mm-40 70.95 28.92 3.12 Favored 'General case' 0 CA--C 1.516 -0.331 0 CA-C-N 114.3 -1.318 . . . . 72.53 110.597 172.455 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.428 ' HE3' ' OD1' ' A' ' 23' ' ' ASP . 18.6 ptpt -117.47 -10.12 10.73 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.839 -0.618 . . . . 73.44 112.348 -179.363 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.594 ' HB3' ' CB ' ' A' ' 21' ' ' SER . 59.9 tp -140.78 139.94 34.68 Favored 'General case' 0 C--O 1.219 -0.515 0 C-N-CA 118.246 -1.381 . . . . 74.42 111.766 177.405 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -152.65 98.46 2.35 Favored 'General case' 0 C--O 1.235 0.299 0 N-CA-C 109.01 -0.737 . . . . 74.5 109.01 173.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 2.9 m -135.65 177.97 5.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.611 -0.722 . . . . 62.12 111.344 -177.538 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 11.6 ttpp -138.28 137.7 37.72 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.533 -0.758 . . . . 62.42 110.357 -179.115 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.587 ' HA ' ' H ' ' A' ' 44' ' ' THR . 0.0 OUTLIER -125.87 164.47 20.67 Favored 'General case' 0 C--O 1.255 1.357 0 CA-C-N 115.892 -0.595 . . . . 73.21 110.382 178.229 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.54 ' HA ' ' HB3' ' A' ' 16' ' ' ASP . 29.7 m -161.64 137.22 7.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.18 -0.918 . . . . 75.34 110.355 -174.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -80.93 117.19 66.97 Favored Pre-proline 0 C--O 1.241 0.629 0 CA-C-N 116.126 -0.488 . . . . 52.21 109.962 174.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 81.3 Cg_exo -47.5 139.52 17.4 Favored 'Trans proline' 0 C--N 1.35 0.649 0 C-N-CA 122.762 2.308 . . . . 73.33 111.451 176.616 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.495 ' HB2' ' CA ' ' A' ' 40' ' ' GLY . 12.0 ttt180 -78.67 9.66 3.92 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.783 0.325 . . . . 64.52 111.607 -170.241 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -51.57 -43.92 62.58 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.825 -0.625 . . . . 75.14 111.173 -178.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 55.7 mt -108.91 29.69 7.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.762 -0.654 . . . . 73.53 110.988 -174.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 79.65 49.17 6.26 Favored Glycine 0 C--N 1.331 0.285 0 C-N-CA 120.824 -0.703 . . . . 72.22 112.01 -178.169 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -103.24 -133.66 8.04 Favored Glycine 0 N--CA 1.453 -0.207 0 N-CA-C 112.114 -0.394 . . . . 73.44 112.114 -178.162 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -102.09 -42.02 6.22 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.977 0.418 . . . . 63.22 110.844 -177.814 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.495 ' CA ' ' HB2' ' A' ' 34' ' ' ARG . . . 75.21 92.67 0.17 Allowed Glycine 0 N--CA 1.449 -0.463 0 CA-C-N 115.855 -0.611 . . . . 45.53 112.31 -175.82 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.426 ' HB2' ' CB ' ' A' ' 31' ' ' SER . . . -161.87 176.5 10.77 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.024 0.44 . . . . 51.12 111.124 178.818 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -77.5 2.43 16.31 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 115.247 -0.888 . . . . 71.23 111.206 -178.033 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -68.08 175.46 28.0 Favored Glycine 0 C--O 1.237 0.327 0 CA-C-N 115.781 -0.645 . . . . 55.55 113.495 -172.805 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.587 ' H ' ' HA ' ' A' ' 30' ' ' LEU . 9.5 m -95.02 158.22 15.56 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.785 -0.45 . . . . 74.01 109.785 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 9.7 m120 -79.52 124.08 84.01 Favored Pre-proline 0 CA--C 1.534 0.328 0 N-CA-C 110.194 -0.298 . . . . 72.33 110.194 179.05 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -56.05 -51.39 9.64 Favored 'Trans proline' 0 CA--C 1.537 0.632 0 C-N-CA 122.872 2.381 . . . . 63.04 112.85 178.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -56.98 -38.35 72.91 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-O 121.257 0.551 . . . . 62.13 110.068 179.682 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.444 ' OE1' ' HB2' ' B' ' 21' ' ' SER . 0.9 OUTLIER -62.29 -40.54 96.61 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 115.56 -0.745 . . . . 74.41 109.898 176.358 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.44 HD12 ' HA3' ' B' ' 53' ' ' GLY . 2.6 tm? -62.14 -44.23 97.09 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.485 -0.561 . . . . 71.11 109.485 -178.521 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 54.6 t80 -63.61 -47.83 79.81 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.487 -0.324 . . . . 65.21 110.771 176.533 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.473 ' HB3' ' HB2' ' A' ' 81' ' ' ALA . . . -57.41 -52.72 64.21 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 116.21 -0.45 . . . . 52.03 110.988 -179.345 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.64 -35.3 79.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.893 -0.594 . . . . 73.32 110.513 179.467 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -63.57 -41.78 99.06 Favored Glycine 0 N--CA 1.449 -0.447 0 N-CA-C 111.624 -0.59 . . . . 45.35 111.624 175.793 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -60.46 -54.56 44.02 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.529 -0.545 . . . . 74.55 109.529 178.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 27.4 p -63.42 -37.83 88.79 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.251 -0.431 . . . . 73.1 111.038 -177.516 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.27 -42.45 88.44 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-O 121.01 0.433 . . . . 72.41 110.666 177.616 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 74.0 m -66.07 -36.44 83.21 Favored 'General case' 0 C--N 1.332 -0.163 0 N-CA-C 109.46 -0.571 . . . . 74.4 109.46 177.251 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 44.5 t80 -60.33 -33.29 72.19 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.208 -0.905 . . . . 74.24 110.462 -178.814 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -63.83 -56.5 14.94 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 115.895 -0.593 . . . . 74.12 109.586 179.351 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.511 ' O ' ' HB3' ' A' ' 63' ' ' LYS . 4.1 t -66.85 -28.19 68.15 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-N 116.127 -0.488 . . . . 74.4 109.963 -178.863 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.34 -45.9 82.36 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-N 116.172 -0.467 . . . . 64.15 109.982 176.196 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 75.0 mmm -61.8 -31.2 71.41 Favored 'General case' 0 N--CA 1.461 0.109 0 CA-C-N 115.868 -0.605 . . . . 61.32 110.316 176.488 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.511 ' HB3' ' O ' ' A' ' 60' ' ' SER . 23.4 ttmt -61.65 -51.97 66.29 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.622 -0.51 . . . . 62.32 109.622 174.017 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 45.2 t80 -57.71 -42.84 84.58 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 115.872 -0.604 . . . . 70.35 110.493 178.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 72.4 t -61.8 -50.42 80.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.109 -0.496 . . . . 51.41 110.717 178.155 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.496 ' HA ' ' HG3' ' A' ' 71' ' ' GLN . . . -60.34 -31.01 69.9 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.998 -0.546 . . . . 55.45 110.269 179.741 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -74.5 -27.0 66.34 Favored Glycine 0 N--CA 1.451 -0.326 0 CA-C-N 115.152 -0.931 . . . . 65.01 112.216 -176.533 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -95.24 -21.95 18.12 Favored 'General case' 0 CA--C 1.521 -0.141 0 N-CA-C 109.233 -0.654 . . . . 73.33 109.233 -179.259 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 24.2 m-80 -95.65 4.15 53.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.28 -0.873 . . . . 73.35 111.431 -179.366 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.42 ' N ' ' HD3' ' A' ' 70' ' ' LYS . 21.2 mmtm 58.86 30.64 20.37 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.678 -0.692 . . . . 70.5 110.598 173.302 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.496 ' HG3' ' HA ' ' A' ' 66' ' ' ALA . 2.9 pt20 -116.9 167.65 10.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.665 -0.698 . . . . 65.11 110.005 179.608 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 12.8 p -132.2 126.13 32.81 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.125 -0.489 . . . . 71.13 110.861 -177.116 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -109.5 140.17 21.85 Favored Pre-proline 0 CA--C 1.535 0.377 0 CA-C-N 115.993 -0.549 . . . . 64.52 110.498 -179.696 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.451 ' HB2' ' HG2' ' A' ' 104' ' ' PRO . 52.6 Cg_exo -58.24 135.72 70.03 Favored 'Trans proline' 0 C--N 1.348 0.519 0 C-N-CA 123.161 2.574 . . . . 75.32 113.125 -178.503 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -77.18 1.29 18.81 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 120.962 0.411 . . . . 74.43 111.77 179.146 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -91.0 7.61 39.47 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.433 0.635 . . . . 72.44 110.42 179.192 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.507 ' HB ' HD11 ' A' ' 103' ' ' LEU . 8.1 t -77.11 159.24 29.94 Favored 'General case' 0 C--O 1.238 0.449 0 CA-C-N 115.59 -0.732 . . . . 74.0 111.742 -177.751 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 32.3 m -153.5 149.33 27.59 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.847 -0.615 . . . . 72.13 110.006 -179.395 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 90.9 t -127.35 133.41 68.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 N-CA-C 109.345 -0.613 . . . . 73.54 109.345 177.539 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.448 ' HB ' ' HB3' ' A' ' 100' ' ' ARG . 19.5 m -109.96 112.64 24.77 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.433 -0.349 . . . . 61.0 110.529 -179.181 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.473 ' HB2' ' HB3' ' A' ' 51' ' ' ALA . . . -93.52 109.2 20.81 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.999 -0.546 . . . . 75.0 109.775 176.023 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.437 ' HB3' ' HB3' ' A' ' 98' ' ' GLU . 31.3 tt0 -106.79 107.74 18.91 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.399 -0.593 . . . . 75.53 109.399 -178.392 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.549 HG23 HG21 ' A' ' 97' ' ' VAL . 10.9 p -109.53 140.31 28.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 120.922 0.392 . . . . 74.25 111.224 -175.163 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.427 ' HA2' ' HA ' ' B' ' 6' ' ' LYS . . . -145.47 170.0 26.9 Favored Glycine 0 N--CA 1.446 -0.654 0 CA-C-N 115.984 -0.553 . . . . 64.22 112.106 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.432 HD12 ' CD2' ' A' ' 93' ' ' PHE . 0.0 OUTLIER -145.94 135.61 17.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 N-CA-C 109.801 -0.444 . . . . 71.32 109.801 -178.044 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -143.99 169.94 26.03 Favored Glycine 0 CA--C 1.52 0.361 0 N-CA-C 111.226 -0.749 . . . . 64.2 111.226 178.145 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . 0.675 ' HD3' ' HG ' ' B' ' 4' ' ' LEU . 58.8 Cg_endo -73.54 134.11 19.97 Favored 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.147 1.898 . . . . 75.13 112.145 -176.807 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 52.4 t-20 -87.18 142.71 27.71 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.384 -0.826 . . . . 63.43 109.636 -178.616 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -60.95 -17.93 54.29 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-O 121.08 0.467 . . . . 74.31 110.719 179.493 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -67.14 -23.78 65.83 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 115.478 -0.783 . . . . 62.35 110.463 176.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.21 32.32 4.35 Favored Glycine 0 N--CA 1.45 -0.4 0 CA-C-N 115.557 -0.747 . . . . 52.42 111.322 -175.54 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -146.18 -128.66 1.97 Allowed Glycine 0 N--CA 1.45 -0.408 0 N-CA-C 111.613 -0.595 . . . . 74.12 111.613 -178.784 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.432 ' CD2' HD12 ' A' ' 85' ' ' ILE . 45.1 m-85 -124.24 154.07 40.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.122 0.487 . . . . 72.25 111.114 -177.754 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.443 ' HB3' ' HE3' ' B' ' 1' ' ' MET . . . -139.23 128.33 23.82 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.43 -0.805 . . . . 73.43 109.12 178.395 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -98.98 140.67 32.78 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 121.067 0.46 . . . . 75.45 111.387 -175.291 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -126.24 112.31 15.59 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.068 -0.969 . . . . 62.1 109.333 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.549 HG21 HG23 ' A' ' 83' ' ' VAL . 46.9 t -121.69 110.9 28.91 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.812 0 CA-C-O 120.893 0.377 . . . . 41.42 110.551 -177.165 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.437 ' HB3' ' HB3' ' A' ' 82' ' ' GLU . 34.7 tt0 -101.53 128.03 47.95 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 116.186 -0.461 . . . . 52.25 110.347 -177.746 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 91.5 mt -111.04 106.89 16.11 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-O 121.042 0.449 . . . . 73.33 110.053 179.296 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.526 ' HA ' HG11 ' A' ' 137' ' ' VAL . 57.5 ttt180 -101.85 107.75 19.03 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.229 -0.896 . . . . 73.43 109.835 -175.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 49.1 t -103.24 101.86 12.81 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.262 0 CA-C-O 120.39 0.138 . . . . 72.23 110.962 -171.547 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -97.46 101.5 13.05 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-O 120.79 0.329 . . . . 73.1 110.753 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.9 HD21 HD23 ' A' ' 106' ' ' LEU . 43.4 tp -113.6 116.28 45.98 Favored Pre-proline 0 C--N 1.329 -0.309 0 N-CA-C 109.059 -0.719 . . . . 73.31 109.059 178.675 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . 0.522 ' HD2' HD11 ' A' ' 103' ' ' LEU . 72.3 Cg_endo -76.24 155.6 37.33 Favored 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 122.517 2.144 . . . . 73.52 112.129 -175.813 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 71.18 15.27 74.47 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.805 -0.712 . . . . 54.45 112.026 -179.288 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.9 HD23 HD21 ' A' ' 103' ' ' LEU . 20.4 tp -121.67 143.72 49.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.995 0.426 . . . . 65.03 110.915 -175.239 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -78.99 147.22 32.99 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.741 -0.663 . . . . 72.42 110.505 173.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . 0.577 ' O ' ' HG3' ' A' ' 112' ' ' LYS . . . -65.74 -42.93 90.38 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.735 0.303 . . . . 74.35 110.378 178.178 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -56.54 -42.3 78.27 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.987 -0.551 . . . . 64.13 110.653 178.13 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . 0.542 ' O ' HG21 ' A' ' 113' ' ' THR . . . -73.07 -40.03 65.39 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.773 -0.649 . . . . 73.25 110.442 178.887 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -55.48 -40.65 71.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.916 -0.584 . . . . 54.13 110.623 179.305 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . 0.577 ' HG3' ' O ' ' A' ' 108' ' ' ALA . 65.3 mttm -51.13 -43.84 61.26 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.547 -0.751 . . . . 74.23 111.002 177.309 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' THR . . . . . 0.542 HG21 ' O ' ' A' ' 110' ' ' ALA . 1.1 t -81.41 -33.41 32.24 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.446 -0.343 . . . . 74.22 110.793 -175.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.434 ' HG ' ' O ' ' A' ' 110' ' ' ALA . 41.6 mt -64.85 -48.71 73.32 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.387 -0.369 . . . . 61.01 110.573 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . 0.527 HG23 HG12 ' A' ' 138' ' ' VAL . 94.7 t -64.89 -35.64 75.75 Favored 'Isoleucine or valine' 0 C--O 1.241 0.617 0 CA-C-N 116.234 -0.439 . . . . 72.22 110.126 178.46 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . 0.521 ' O ' ' HB2' ' A' ' 120' ' ' HIS . 12.2 t70 -59.43 -61.28 2.74 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 115.728 -0.669 . . . . 65.51 110.192 177.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . 0.504 ' O ' HG23 ' A' ' 121' ' ' VAL . 10.1 ptm180 -61.52 -35.04 76.58 Favored 'General case' 0 CA--C 1.521 -0.164 0 CA-C-N 116.342 -0.39 . . . . 65.24 110.297 -176.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -56.51 -56.1 25.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.74 -0.663 . . . . 63.41 110.782 178.007 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 95.2 m-70 -76.41 -8.09 56.42 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 120.999 -0.28 . . . . 74.13 111.015 178.213 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . 0.521 ' HB2' ' O ' ' A' ' 116' ' ' ASP . 2.4 t-160 -86.11 -33.05 21.02 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.355 -0.384 . . . . 75.14 110.483 -177.85 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . 0.506 HG22 ' SG ' ' A' ' 122' ' ' CYS . 20.1 m -118.65 -11.8 11.0 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.429 0 N-CA-C 112.236 0.458 . . . . 74.54 112.236 -176.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' CYS . . . . . 0.506 ' SG ' HG22 ' A' ' 121' ' ' VAL . 42.9 m -137.56 66.36 50.01 Favored Pre-proline 0 N--CA 1.469 0.52 0 CA-C-O 120.89 0.376 . . . . 72.12 110.826 178.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_endo -102.72 163.97 0.28 Allowed 'Trans proline' 0 N--CA 1.456 -0.714 0 C-N-CA 123.317 2.678 . . . . 75.04 113.598 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -82.95 -168.15 1.95 Allowed 'General case' 0 C--O 1.237 0.403 0 N-CA-C 108.508 -0.923 . . . . 65.44 108.508 166.287 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' SER . . . . . 0.579 ' O ' HG23 ' A' ' 128' ' ' THR . 14.0 m -44.64 131.55 6.71 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-O 120.81 0.338 . . . . 65.33 111.075 179.805 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' ASN . . . . . 0.492 ' O ' ' HG2' ' A' ' 129' ' ' ARG . 46.0 m-20 -57.34 -42.3 81.68 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-O 121.524 0.678 . . . . 73.42 109.784 -177.771 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . 0.594 ' O ' ' HB3' ' A' ' 131' ' ' ASN . . . -75.28 6.35 4.53 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.318 -0.855 . . . . 54.1 112.211 -178.85 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' THR . . . . . 0.579 HG23 ' O ' ' A' ' 125' ' ' SER . 0.7 OUTLIER -108.44 -6.26 16.26 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 109.403 -0.592 . . . . 73.21 109.403 176.873 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . 0.492 ' HG2' ' O ' ' A' ' 126' ' ' ASN . 10.2 ptt180 -116.38 -42.07 3.06 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 115.918 -0.583 . . . . 72.04 110.649 178.755 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 53.0 m-80 -78.58 -56.51 4.37 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 116.38 -0.373 . . . . 71.52 110.916 176.395 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . 0.594 ' HB3' ' O ' ' A' ' 127' ' ' ALA . 2.9 t-20 -63.32 -43.63 97.25 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 115.946 -0.57 . . . . 72.12 110.533 -178.12 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 41.0 t -88.39 125.92 41.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.594 -0.73 . . . . 70.22 109.189 176.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -68.18 93.32 0.44 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.301 0.572 . . . . 45.42 111.041 -174.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . 0.49 ' HA ' ' O ' ' A' ' 97' ' ' VAL . 59.3 t -98.99 124.35 52.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.458 -0.792 . . . . 75.02 110.766 177.556 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 11.3 tpt180 -95.87 113.43 25.05 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.432 -0.803 . . . . 74.34 109.896 -179.477 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 31.0 mt -89.83 115.95 27.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.861 0.363 . . . . 50.04 111.048 179.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . 0.526 HG11 ' HA ' ' A' ' 100' ' ' ARG . 0.2 OUTLIER -129.38 119.07 47.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 121.374 0.607 . . . . 74.42 110.444 -179.657 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . 0.527 HG12 HG23 ' A' ' 115' ' ' VAL . 3.0 m -95.42 139.01 19.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.751 -0.659 . . . . 71.15 110.269 -179.852 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.318 -0.777 0 CA-C-N 115.966 -0.561 . . . . 73.13 110.858 -176.488 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.443 ' HE3' ' HB3' ' A' ' 94' ' ' ALA . 26.8 ptm . . . . . 0 C--O 1.234 0.287 0 CA-C-O 121.186 0.517 . . . . 72.42 110.857 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 2' ' ' ASN . . . . . 0.546 ' O ' ' HD2' ' A' ' 87' ' ' PRO . 35.6 t30 -91.31 82.9 5.43 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.452 -0.795 . . . . 61.35 109.85 -179.517 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . 0.507 HG22 ' HB2' ' B' ' 6' ' ' LYS . 27.6 mm -73.52 129.17 36.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 116.087 -0.506 . . . . 72.42 111.537 179.575 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . 0.675 ' HG ' ' HD3' ' A' ' 87' ' ' PRO . 84.2 mt -87.64 -43.28 12.07 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.523 -0.762 . . . . 75.25 109.803 174.042 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 5' ' ' TYR . . . . . . . . . . . . . 33.9 t80 -138.84 128.92 25.34 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 115.966 -0.561 . . . . 75.45 110.575 -177.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . 0.507 ' HB2' HG22 ' B' ' 3' ' ' ILE . 32.3 ttmt -138.61 142.81 39.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.952 0.406 . . . . 65.01 111.111 175.579 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 7.1 t -139.24 143.06 37.84 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.693 -0.685 . . . . 73.02 109.327 176.399 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . 0.416 ' O ' ' HB3' ' B' ' 22' ' ' HIS . . . -105.96 151.78 24.16 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.315 -0.402 . . . . 64.22 110.8 -177.638 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . 0.419 ' HA ' ' H ' ' B' ' 22' ' ' HIS . . . -137.96 123.1 19.21 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.171 -0.468 . . . . 71.2 110.187 177.31 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 5.2 t -99.55 110.82 23.24 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.466 0.65 . . . . 64.31 109.859 -179.235 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 11' ' ' SER . . . . . 0.427 ' HA ' ' HA ' ' B' ' 19' ' ' ALA . 20.9 p -101.87 113.53 26.81 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.881 -0.599 . . . . 74.14 110.41 178.352 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 2.6 m -95.11 155.68 16.63 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.863 -0.608 . . . . 73.24 110.831 -176.703 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -79.48 74.83 2.18 Favored Glycine 0 N--CA 1.448 -0.564 0 C-N-CA 121.005 -0.617 . . . . 71.12 112.413 176.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -66.97 -148.41 0.1 OUTLIER Glycine 0 CA--C 1.525 0.669 0 C-N-CA 121.102 -0.571 . . . . 73.4 112.213 173.679 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -56.31 -50.47 71.36 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.962 0.381 . . . . 65.14 110.706 178.515 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 16' ' ' ASP . . . . . 0.541 ' HB3' ' HA ' ' B' ' 31' ' ' SER . 24.8 t70 -125.87 -42.53 1.9 Allowed 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.314 -0.625 . . . . 65.33 109.314 173.711 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -166.14 155.76 27.22 Favored Glycine 0 N--CA 1.444 -0.805 0 C-N-CA 120.185 -1.007 . . . . 74.22 111.787 165.19 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 18' ' ' ARG . . . . . 0.498 ' HA ' ' HA ' ' B' ' 29' ' ' LYS . 39.0 ttp180 -135.86 137.7 41.74 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 108.831 -0.803 . . . . 74.4 108.831 174.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 19' ' ' ALA . . . . . 0.427 ' HA ' ' HA ' ' B' ' 11' ' ' SER . . . -134.15 124.08 25.46 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 123.213 0.32 . . . . 64.31 110.304 -176.063 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 41.3 m -130.84 113.5 14.15 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.4 -0.364 . . . . 75.11 110.41 179.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 21' ' ' SER . . . . . 0.535 ' HB3' ' N ' ' B' ' 26' ' ' LEU . 48.1 t -68.84 107.16 2.95 Favored 'General case' 0 C--O 1.248 0.981 0 N-CA-C 107.523 -1.288 . . . . 74.21 107.523 175.109 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 22' ' ' HIS . . . . . 0.456 ' C ' ' H ' ' B' ' 24' ' ' GLN . 1.8 t-80 -47.84 -35.37 10.14 Favored 'General case' 0 N--CA 1.466 0.375 0 O-C-N 126.099 2.124 . . . . 73.12 112.878 -168.537 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -80.38 25.59 0.4 Allowed 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.299 0.571 . . . . 63.54 110.531 -176.78 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . 0.456 ' H ' ' C ' ' B' ' 22' ' ' HIS . 27.4 mm-40 64.62 24.49 13.0 Favored 'General case' 0 CA--C 1.515 -0.37 0 CA-C-N 114.959 -1.018 . . . . 71.43 110.093 175.165 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.527 ' HE2' ' HA ' ' B' ' 25' ' ' LYS . 9.8 mmpt? -85.47 -26.05 26.53 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 114.872 -1.058 . . . . 41.25 110.186 178.657 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . 0.535 ' N ' ' HB3' ' B' ' 21' ' ' SER . 41.6 tp -158.1 151.42 23.21 Favored 'General case' 0 CA--C 1.506 -0.725 0 C-N-CA 120.058 -0.657 . . . . 73.34 111.834 -179.502 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -161.09 90.77 0.84 Allowed 'General case' 0 N--CA 1.444 -0.726 0 CA-C-N 115.226 -0.897 . . . . 53.33 110.261 179.382 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 8.9 m -143.99 178.19 1.89 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.585 0 CA-C-O 121.326 0.584 . . . . 74.12 112.516 -177.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.498 ' HA ' ' HA ' ' B' ' 18' ' ' ARG . 13.4 ttmt -127.24 144.92 50.94 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 114.698 -1.137 . . . . 74.12 109.703 178.425 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . 0.763 ' HA ' ' H ' ' B' ' 44' ' ' THR . 0.0 OUTLIER -125.95 160.25 30.49 Favored 'General case' 0 C--O 1.255 1.391 0 CA-C-O 121.002 0.43 . . . . 72.32 110.59 175.107 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 31' ' ' SER . . . . . 0.541 ' HA ' ' HB3' ' B' ' 16' ' ' ASP . 35.2 m -153.89 122.77 6.37 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 115.228 -0.896 . . . . 62.35 111.368 -175.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.33 133.36 93.2 Favored Pre-proline 0 C--O 1.241 0.628 0 CA-C-N 115.67 -0.696 . . . . 75.13 110.234 174.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 33' ' ' PRO . . . . . . . . . . . . . 10.7 Cg_endo -52.75 132.91 48.53 Favored 'Trans proline' 0 C--N 1.349 0.57 0 C-N-CA 122.735 2.29 . . . . 72.21 111.32 179.656 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 34' ' ' ARG . . . . . 0.435 ' NH1' ' HA2' ' B' ' 37' ' ' GLY . 0.1 OUTLIER -62.62 -13.86 36.48 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 116.429 -0.351 . . . . 71.43 110.38 -176.733 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -48.58 -44.1 36.51 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-O 121.277 0.561 . . . . 72.42 110.837 176.383 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 26.1 mt -99.33 18.48 17.56 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.279 -0.873 . . . . 63.52 110.592 -174.65 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 37' ' ' GLY . . . . . 0.435 ' HA2' ' NH1' ' B' ' 34' ' ' ARG . . . 72.48 33.74 60.89 Favored Glycine 0 N--CA 1.453 -0.216 0 N-CA-C 111.612 -0.595 . . . . 51.22 111.612 -177.214 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -75.24 -77.44 0.7 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 121.046 -0.597 . . . . 64.12 112.598 -176.292 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -166.71 -33.17 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.696 0.284 . . . . 71.25 111.405 -179.086 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 67.88 79.91 0.23 Allowed Glycine 0 C--N 1.334 0.44 0 C-N-CA 121.01 -0.614 . . . . 53.13 112.322 -177.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -148.81 179.2 8.02 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.707 0.289 . . . . 75.21 110.85 -178.721 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -80.11 5.11 15.21 Favored 'General case' 0 N--CA 1.466 0.364 0 N-CA-C 112.424 0.527 . . . . 74.14 112.424 -175.657 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -72.86 179.9 37.34 Favored Glycine 0 CA--C 1.521 0.451 0 C-N-CA 121.001 -0.619 . . . . 72.12 113.064 -177.443 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 44' ' ' THR . . . . . 0.763 ' H ' ' HA ' ' B' ' 30' ' ' LEU . 14.5 p -96.16 154.42 17.26 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 110.254 -0.276 . . . . 70.51 110.254 179.815 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 45' ' ' ASN . . . . . 0.613 ' HB2' ' HB3' ' B' ' 48' ' ' GLN . 1.7 m-20 -73.37 134.2 80.05 Favored Pre-proline 0 CA--C 1.538 0.506 0 N-CA-C 110.156 -0.313 . . . . 71.14 110.156 -177.211 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 46' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -60.39 -57.72 0.67 Allowed 'Trans proline' 0 C--N 1.355 0.888 0 C-N-CA 123.49 2.793 . . . . 54.41 113.663 -177.311 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 47' ' ' GLU . . . . . 0.525 ' OE1' ' HB3' ' B' ' 45' ' ' ASN . 0.0 OUTLIER -59.57 -35.31 74.02 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-O 121.071 0.462 . . . . 73.03 109.798 178.646 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . 0.613 ' HB3' ' HB2' ' B' ' 45' ' ' ASN . 0.8 OUTLIER -62.95 -38.45 91.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.651 -0.704 . . . . 65.22 110.118 173.354 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -62.82 -46.76 86.45 Favored 'General case' 0 C--O 1.235 0.31 0 N-CA-C 109.46 -0.57 . . . . 73.15 109.46 -178.363 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 27.9 t80 -62.3 -43.34 99.06 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 116.357 -0.383 . . . . 74.53 110.335 175.115 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.16 -45.03 79.84 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.11 -0.495 . . . . 63.22 110.989 177.301 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.54 -44.82 85.65 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.977 -0.556 . . . . 74.31 110.889 179.657 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . 0.44 ' HA3' HD12 ' A' ' 49' ' ' LEU . . . -61.06 -42.54 99.83 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.975 -0.631 . . . . 73.22 111.79 178.416 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 54' ' ' TYR . . . . . 0.541 ' HA ' ' SG ' ' B' ' 57' ' ' CYS . 0.8 OUTLIER -66.84 -52.2 46.54 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-O 120.841 0.353 . . . . 73.43 110.116 179.411 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 28.4 p -58.96 -37.97 78.01 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.488 -0.324 . . . . 71.55 110.736 -178.089 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 56' ' ' ALA . . . . . 0.503 ' HB1' HD22 ' A' ' 30' ' ' LEU . . . -73.08 -49.34 29.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.329 -0.396 . . . . 72.32 111.517 -179.343 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 57' ' ' CYS . . . . . 0.541 ' SG ' ' HA ' ' B' ' 54' ' ' TYR . 31.7 p -60.01 -36.26 76.84 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 116.376 -0.374 . . . . 72.4 110.357 -177.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 55.0 t80 -51.64 -34.1 36.41 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 115.839 -0.619 . . . . 61.11 111.122 -179.284 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -66.57 -48.93 68.06 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 120.694 0.283 . . . . 73.31 110.763 178.673 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 7.4 m -64.33 -44.37 91.76 Favored 'General case' 0 C--O 1.243 0.717 0 CA-C-O 121.548 0.689 . . . . 73.23 110.212 -179.655 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -59.37 -40.86 87.84 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.379 -0.828 . . . . 44.1 110.015 177.5 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 62' ' ' MET . . . . . 0.484 ' HG3' HD23 ' B' ' 73' ' ' LEU . 15.5 tpt -66.18 -32.76 74.4 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-N 115.895 -0.593 . . . . 71.0 110.318 179.02 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . 0.521 ' HA ' HD22 ' B' ' 73' ' ' LEU . 57.8 mttp -62.0 -48.08 81.93 Favored 'General case' 0 C--O 1.233 0.22 0 N-CA-C 109.631 -0.507 . . . . 72.03 109.631 174.583 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 58.9 t80 -56.52 -42.41 78.36 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 115.959 -0.564 . . . . 73.11 110.056 176.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 66.8 t -57.44 -51.55 68.28 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.145 0 CA-C-N 116.014 -0.539 . . . . 75.05 110.312 176.776 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 66' ' ' ALA . . . . . 0.445 ' HA ' ' HG3' ' B' ' 71' ' ' GLN . . . -57.77 -30.36 65.58 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.087 0.47 . . . . 74.13 110.477 179.078 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -70.68 -30.64 68.32 Favored Glycine 0 N--CA 1.45 -0.393 0 CA-C-N 115.447 -0.797 . . . . 75.04 112.46 -178.09 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -96.33 -17.63 20.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.489 0.662 . . . . 64.5 109.388 -178.723 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 31.6 m-80 -97.96 -4.78 35.6 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.337 -0.847 . . . . 65.21 111.377 179.594 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 10.7 mptt 56.67 30.91 18.33 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-O 121.349 0.595 . . . . 73.12 111.147 177.198 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . 0.445 ' HG3' ' HA ' ' B' ' 66' ' ' ALA . 0.9 OUTLIER -111.82 168.83 9.26 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.519 -0.764 . . . . 74.24 110.589 -178.007 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 20.7 p -115.2 133.55 55.94 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.793 -0.64 . . . . 74.12 110.807 -179.199 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . 0.521 HD22 ' HA ' ' B' ' 63' ' ' LYS . 0.2 OUTLIER -109.44 149.66 40.1 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 75.15 110.996 179.362 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 74' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -79.43 127.58 7.44 Favored 'Trans proline' 0 CA--C 1.532 0.425 0 C-N-CA 122.766 2.311 . . . . 74.32 112.141 176.058 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -76.9 -6.82 54.0 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 121.235 0.541 . . . . 71.53 110.716 177.39 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -81.74 3.99 23.61 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 115.601 -0.727 . . . . 60.22 110.862 -179.027 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 77' ' ' THR . . . . . . . . . . . . . 8.8 t -81.67 167.76 18.83 Favored 'General case' 0 C--O 1.238 0.47 0 CA-C-N 115.876 -0.602 . . . . 73.25 111.998 -174.446 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 78' ' ' THR . . . . . 0.605 HG23 ' HA ' ' A' ' 12' ' ' THR . 0.9 OUTLIER -152.06 149.33 28.71 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 115.178 -0.919 . . . . 71.23 110.154 -179.611 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 75.0 t -133.64 112.65 17.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 121.277 0.561 . . . . 54.24 109.814 176.328 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 80' ' ' THR . . . . . 0.462 ' HA ' ' HA ' ' A' ' 10' ' ' THR . 27.0 m -102.45 110.58 22.57 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 115.898 -0.592 . . . . 75.2 110.5 -177.635 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -92.9 104.62 16.84 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.988 -0.551 . . . . 73.43 109.774 -179.765 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 82' ' ' GLU . . . . . 0.509 ' HA ' ' HA ' ' A' ' 8' ' ' ALA . 28.3 tt0 -104.18 107.64 18.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 71.23 109.869 -178.323 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . 0.434 HG13 HG22 ' B' ' 97' ' ' VAL . 29.9 m -103.35 146.25 11.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.98 -0.554 . . . . 71.44 110.894 -175.658 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 84' ' ' GLY . . . . . 0.405 ' HA2' ' HA ' ' A' ' 6' ' ' LYS . . . -134.77 159.97 24.1 Favored Glycine 0 N--CA 1.441 -0.986 0 N-CA-C 111.359 -0.696 . . . . 52.45 111.359 176.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -140.88 130.09 25.32 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.82 0 N-CA-C 109.271 -0.64 . . . . 73.1 109.271 -178.361 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 86' ' ' GLY . . . . . 0.702 ' HA2' ' HG ' ' A' ' 4' ' ' LEU . . . -148.0 169.81 28.7 Favored Glycine 0 N--CA 1.45 -0.385 0 O-C-N 124.343 1.027 . . . . 52.3 110.947 -178.907 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 87' ' ' PRO . . . . . 0.575 ' HD3' ' HG ' ' A' ' 4' ' ' LEU . 1.1 Cg_endo -81.65 123.15 4.16 Favored 'Trans proline' 0 N--CA 1.455 -0.784 0 C-N-CA 122.81 2.34 . . . . 70.05 111.608 -178.04 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 88' ' ' ASN . . . . . . . . . . . . . 50.4 t-20 -71.95 135.7 46.55 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 108.81 -0.811 . . . . 72.3 108.81 176.068 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -60.54 -16.74 40.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 123.268 0.355 . . . . 71.21 111.234 -178.065 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -67.33 -17.76 64.89 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-O 121.353 0.597 . . . . 74.05 110.62 176.332 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.59 35.26 3.34 Favored Glycine 0 N--CA 1.453 -0.21 0 CA-C-N 115.792 -0.64 . . . . 72.2 112.252 -179.398 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . -144.7 -154.42 6.13 Favored Glycine 0 N--CA 1.452 -0.256 0 N-CA-C 111.356 -0.698 . . . . 70.13 111.356 177.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 93' ' ' PHE . . . . . . . . . . . . . 65.4 m-85 -106.2 165.72 11.03 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.966 0.383 . . . . 73.12 110.191 176.052 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 94' ' ' ALA . . . . . 0.413 ' HB1' ' HE3' ' A' ' 1' ' ' MET . . . -149.29 133.21 17.07 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.178 -0.465 . . . . 62.21 110.041 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -101.72 121.14 41.5 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.997 -0.547 . . . . 74.21 110.124 179.208 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 96' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -111.06 110.1 20.49 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.491 -0.777 . . . . 73.53 109.009 178.537 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 97' ' ' VAL . . . . . 0.864 ' HB ' HG21 ' B' ' 134' ' ' VAL . 61.0 t -111.08 110.89 33.87 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.779 0 C-N-CA 120.874 -0.33 . . . . 65.34 111.414 -173.825 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 98' ' ' GLU . . . . . 0.46 ' HG2' ' HB3' ' B' ' 135' ' ' ARG . 44.4 mt-10 -93.18 105.15 17.27 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.275 -0.639 . . . . 74.42 109.275 173.664 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 20.9 tp -93.73 109.2 20.87 Favored 'General case' 0 C--O 1.239 0.546 0 N-CA-C 109.377 -0.601 . . . . 75.14 109.377 -177.627 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 100' ' ' ARG . . . . . 0.525 ' HA ' ' O ' ' B' ' 137' ' ' VAL . 22.9 ttt180 -99.55 128.83 45.67 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.209 -0.905 . . . . 70.24 110.328 -173.04 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 101' ' ' VAL . . . . . . . . . . . . . 88.9 t -121.42 108.35 22.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.284 -0.417 . . . . 60.12 111.234 -174.567 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -99.35 101.34 12.59 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.635 -0.506 . . . . 53.32 109.635 175.131 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 103' ' ' LEU . . . . . 0.522 HD12 ' HD2' ' B' ' 104' ' ' PRO . 19.5 tp -121.41 109.0 35.15 Favored Pre-proline 0 CA--C 1.533 0.301 0 N-CA-C 109.719 -0.475 . . . . 72.24 109.719 -175.389 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 104' ' ' PRO . . . . . 0.522 ' HD2' HD12 ' B' ' 103' ' ' LEU . 81.3 Cg_endo -74.94 156.57 43.26 Favored 'Trans proline' 0 C--N 1.348 0.511 0 C-N-CA 123.037 2.492 . . . . 74.24 112.583 -173.412 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 105' ' ' GLY . . . . . . . . . . . . . . . 72.89 15.13 78.28 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.845 -0.693 . . . . 72.34 111.982 -179.615 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 106' ' ' LEU . . . . . 0.487 ' CD2' HD23 ' B' ' 103' ' ' LEU . 20.2 tp -138.12 139.58 39.51 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 122.737 0.415 . . . . 65.44 110.818 -175.572 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -73.18 143.41 47.22 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-N 115.9 -0.591 . . . . 63.12 110.166 175.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -64.4 -39.46 93.9 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.021 0.438 . . . . 74.55 110.589 177.201 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -56.77 -45.88 81.82 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.969 -0.559 . . . . 64.51 110.636 179.203 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 110' ' ' ALA . . . . . 0.584 ' O ' HG21 ' B' ' 113' ' ' THR . . . -74.09 -38.54 63.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.968 -0.56 . . . . 72.03 110.045 178.342 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -56.78 -34.61 67.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.759 -0.655 . . . . 64.14 111.088 -179.265 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 112' ' ' LYS . . . . . . . . . . . . . 55.9 mttp -54.17 -49.33 69.53 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 116.446 -0.343 . . . . 74.45 110.874 176.767 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 113' ' ' THR . . . . . 0.584 HG21 ' O ' ' B' ' 110' ' ' ALA . 2.6 t -74.58 -36.3 63.04 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-O 120.854 0.359 . . . . 72.03 110.527 -176.749 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 114' ' ' LEU . . . . . 0.449 ' HG ' ' O ' ' B' ' 110' ' ' ALA . 46.0 mt -64.25 -50.06 69.44 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 115.999 -0.546 . . . . 72.05 110.786 -178.815 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 115' ' ' VAL . . . . . . . . . . . . . 96.8 t -62.36 -37.39 78.56 Favored 'Isoleucine or valine' 0 C--O 1.24 0.59 0 CA-C-O 121.088 0.471 . . . . 63.55 109.87 178.478 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -59.85 -59.64 5.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.418 -0.81 . . . . 75.43 110.838 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 117' ' ' ARG . . . . . . . . . . . . . 14.2 ptm180 -64.15 -34.09 77.27 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 121.132 0.491 . . . . 70.2 110.198 -177.114 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -58.66 -38.98 79.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.614 -0.721 . . . . 61.11 109.695 174.373 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 119' ' ' HIS . . . . . 0.614 ' HA ' ' HB3' ' B' ' 125' ' ' SER . 15.3 m80 -71.24 6.55 1.65 Allowed 'General case' 0 CA--C 1.533 0.298 0 N-CA-C 112.732 0.642 . . . . 74.31 112.732 177.366 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 19.3 t-80 -108.45 -38.25 5.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.603 0.239 . . . . 73.32 110.965 173.639 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 33.2 m -76.87 -30.45 18.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 N-CA-C 112.412 0.523 . . . . 73.14 112.412 -172.293 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 122' ' ' CYS . . . . . . . . . . . . . 23.2 p -106.38 141.69 23.31 Favored Pre-proline 0 C--O 1.237 0.424 0 CA-C-O 120.609 0.242 . . . . 74.53 111.597 -174.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 123' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -58.8 169.05 3.65 Favored 'Trans proline' 0 C--N 1.354 0.83 0 C-N-CA 122.961 2.441 . . . . 65.25 111.368 174.034 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 124' ' ' TYR . . . . . . . . . . . . . 43.7 m-85 69.1 -62.55 0.4 Allowed 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 123.068 0.547 . . . . 65.35 109.527 -172.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 125' ' ' SER . . . . . 0.614 ' HB3' ' HA ' ' B' ' 119' ' ' HIS . 45.3 m -55.94 -40.94 73.9 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 115.806 -0.634 . . . . 64.23 111.55 177.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 126' ' ' ASN . . . . . . . . . . . . . 28.9 p-10 -61.92 -41.76 98.3 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.096 0.474 . . . . 74.24 110.016 177.513 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 127' ' ' ALA . . . . . 0.593 ' O ' ' HB3' ' B' ' 131' ' ' ASN . . . -83.69 1.54 42.08 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.426 -0.806 . . . . 74.33 111.759 -177.061 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 128' ' ' THR . . . . . 0.544 ' OG1' HG22 ' B' ' 134' ' ' VAL . 0.6 OUTLIER -105.81 -10.83 16.5 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 120.597 -0.441 . . . . 64.4 110.252 -173.136 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 129' ' ' ARG . . . . . 0.505 ' HD2' ' HB3' ' B' ' 119' ' ' HIS . 15.6 ptm180 -109.02 -51.47 2.88 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 116.688 -0.233 . . . . 75.21 110.5 -174.329 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 130' ' ' ASN . . . . . 0.424 ' ND2' ' HG3' ' B' ' 129' ' ' ARG . 0.2 OUTLIER -78.77 -52.89 7.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.984 0.421 . . . . 74.14 110.962 175.969 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 131' ' ' ASN . . . . . 0.593 ' HB3' ' O ' ' B' ' 127' ' ' ALA . 0.2 OUTLIER -66.94 -43.95 81.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.747 -0.661 . . . . 75.43 110.978 -175.653 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 132' ' ' VAL . . . . . 0.451 HG23 ' O ' ' B' ' 127' ' ' ALA . 23.4 t -119.88 160.3 20.32 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.317 0 CA-C-N 116.24 -0.436 . . . . 62.31 111.209 -169.46 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 133' ' ' ALA . . . . . 0.407 ' N ' HG11 ' B' ' 132' ' ' VAL . . . -89.52 95.87 10.46 Favored 'General case' 0 C--O 1.244 0.776 0 CA-C-O 121.744 0.783 . . . . 72.23 111.12 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 134' ' ' VAL . . . . . 0.864 HG21 ' HB ' ' B' ' 97' ' ' VAL . 71.0 t -125.94 109.3 21.18 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.448 0 CA-C-N 115.038 -0.983 . . . . 64.53 110.867 -179.344 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 135' ' ' ARG . . . . . 0.46 ' HB3' ' HG2' ' B' ' 98' ' ' GLU . 27.2 tpt180 -70.96 110.94 5.97 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.549 -0.75 . . . . 74.32 109.575 175.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 136' ' ' LEU . . . . . 0.434 HD23 ' HA ' ' B' ' 136' ' ' LEU . 44.1 mt -79.87 107.45 12.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.178 -0.465 . . . . 72.41 110.325 177.626 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 137' ' ' VAL . . . . . 0.525 ' O ' ' HA ' ' B' ' 100' ' ' ARG . 0.3 OUTLIER -118.07 112.2 37.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.416 -0.811 . . . . 74.23 110.142 -178.118 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 138' ' ' VAL . . . . . . . . . . . . . 3.2 m -103.0 138.11 28.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.766 -0.652 . . . . 70.52 109.643 -178.236 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 139' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.301 0 CA-C-N 115.367 -0.833 . . . . 71.35 111.666 -171.489 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.5 ptm . . . . . 0 N--CA 1.486 1.335 0 N-CA-C 109.835 -0.432 . . . . 71.43 109.835 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 55.0 t30 -98.05 85.19 3.43 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.211 0.529 . . . . 75.52 109.887 -179.497 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.517 HG21 ' HB2' ' A' ' 6' ' ' LYS . 33.3 mm -70.09 126.06 29.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.572 -0.74 . . . . 51.02 111.717 -179.105 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.65 ' HG ' ' HD3' ' B' ' 87' ' ' PRO . 87.2 mt -81.27 -42.29 20.87 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.599 -0.728 . . . . 74.21 109.833 175.674 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 48.7 t80 -142.19 132.11 24.39 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 116.052 -0.522 . . . . 73.42 110.553 -178.476 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.517 ' HB2' HG21 ' A' ' 3' ' ' ILE . 27.6 ttmt -137.6 144.45 41.99 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.892 0.377 . . . . 62.42 110.159 176.905 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.583 HG21 HD22 ' B' ' 45' ' ' ASN . 10.9 t -142.84 143.53 32.15 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.662 -0.699 . . . . 73.02 109.995 -177.761 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.51 ' HA ' ' HA ' ' B' ' 82' ' ' GLU . . . -111.6 136.42 50.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 64.34 110.723 -177.278 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.544 ' HA ' ' HA ' ' A' ' 21' ' ' SER . . . -130.14 117.05 19.34 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.075 -0.512 . . . . 73.03 109.705 175.409 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.52 ' HA ' ' HA ' ' B' ' 80' ' ' THR . 6.5 t -95.38 129.58 42.48 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.053 0.454 . . . . 73.43 109.839 -177.612 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 83.6 p -114.26 113.56 24.78 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.955 -0.566 . . . . 74.42 109.882 -179.639 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 5.0 m -107.07 160.17 15.75 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 116.202 -0.454 . . . . 72.12 110.858 -175.566 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -81.4 75.57 2.29 Favored Glycine 0 N--CA 1.446 -0.649 0 C-N-CA 120.661 -0.78 . . . . 62.44 111.954 175.082 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -59.82 -105.43 0.01 OUTLIER Glycine 0 C--N 1.342 0.878 0 C-N-CA 121.114 -0.565 . . . . 62.02 112.633 175.292 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 27.2 mmm180 -88.95 -48.68 7.27 Favored 'General case' 0 N--CA 1.465 0.295 0 O-C-N 122.356 -0.496 . . . . 73.04 110.333 175.355 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.402 ' HB3' ' HA ' ' A' ' 31' ' ' SER . 12.8 t70 -125.65 -42.76 1.91 Allowed 'General case' 0 C--O 1.236 0.353 0 N-CA-C 108.906 -0.776 . . . . 74.22 108.906 170.059 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -161.84 161.47 33.33 Favored Glycine 0 N--CA 1.444 -0.801 0 N-CA-C 111.025 -0.83 . . . . 73.12 111.025 166.568 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.48 ' HA ' ' HA ' ' A' ' 29' ' ' LYS . 55.5 ttp180 -141.66 144.41 34.12 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 109.774 -0.454 . . . . 73.24 109.774 177.463 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.586 ' HB3' ' HB2' ' B' ' 52' ' ' ALA . . . -130.49 123.87 30.68 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.545 -0.539 . . . . 71.12 109.545 178.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.438 HG21 ' HB2' ' A' ' 27' ' ' ASP . 24.5 m -137.5 111.35 8.24 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.185 -0.461 . . . . 65.23 110.701 -175.457 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.544 ' HA ' ' HA ' ' A' ' 9' ' ' ALA . 46.1 t -72.3 109.03 5.75 Favored 'General case' 0 C--O 1.244 0.792 0 N-CA-C 107.64 -1.244 . . . . 62.3 107.64 175.717 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.421 ' C ' ' H ' ' A' ' 24' ' ' GLN . 85.0 t60 -54.1 -20.18 6.16 Favored 'General case' 0 N--CA 1.467 0.412 0 O-C-N 125.94 2.025 . . . . 71.44 112.636 -169.036 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.514 ' HB2' ' HE2' ' A' ' 25' ' ' LYS . 4.5 m-20 -80.28 16.08 1.39 Allowed 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.784 -0.45 . . . . 73.43 109.784 177.798 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.421 ' H ' ' C ' ' A' ' 22' ' ' HIS . 32.5 mm-40 64.86 16.01 10.22 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 115.395 -0.821 . . . . 72.53 110.321 -179.252 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.514 ' HE2' ' HB2' ' A' ' 23' ' ' ASP . 55.8 mtmt -84.33 -18.66 35.55 Favored 'General case' 0 N--CA 1.451 -0.425 0 CA-C-N 115.639 -0.71 . . . . 73.44 110.605 -179.488 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.526 ' N ' ' HB3' ' A' ' 21' ' ' SER . 55.7 tp -150.13 145.29 26.23 Favored 'General case' 0 C--N 1.342 0.258 0 C-N-CA 120.181 -0.608 . . . . 74.42 111.113 175.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.438 ' HB2' HG21 ' A' ' 20' ' ' THR . 18.7 t70 -162.85 95.39 0.88 Allowed 'General case' 0 C--O 1.233 0.232 0 O-C-N 123.636 0.585 . . . . 74.5 110.152 174.417 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.479 ' O ' ' HG3' ' A' ' 18' ' ' ARG . 3.4 m -145.35 176.59 1.96 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.504 0 CA-C-N 116.035 -0.529 . . . . 62.12 111.018 178.077 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.48 ' HA ' ' HA ' ' A' ' 18' ' ' ARG . 0.8 OUTLIER -125.86 144.16 50.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.809 -0.632 . . . . 62.42 110.314 -177.876 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.825 ' HA ' ' H ' ' A' ' 44' ' ' THR . 0.0 OUTLIER -128.55 167.65 16.82 Favored 'General case' 0 C--O 1.252 1.189 0 CA-C-O 121.065 0.459 . . . . 73.21 110.777 177.993 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.417 ' OG ' ' HB2' ' A' ' 41' ' ' ALA . 34.7 m -149.62 137.98 20.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.253 -0.885 . . . . 75.34 110.82 -175.406 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -76.1 131.31 75.91 Favored Pre-proline 0 C--O 1.24 0.588 0 CA-C-N 116.052 -0.522 . . . . 52.21 110.468 176.637 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.442 ' HG3' ' ND2' ' A' ' 45' ' ' ASN . 54.3 Cg_exo -52.14 119.58 5.99 Favored 'Trans proline' 0 C--N 1.35 0.646 0 C-N-CA 122.885 2.39 . . . . 73.33 111.835 178.752 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.583 ' HB2' ' N ' ' A' ' 40' ' ' GLY . 39.4 ttt85 -67.71 -16.0 63.92 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.821 0.343 . . . . 64.52 110.604 -176.2 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 51.2 mm-40 -49.73 -34.7 19.72 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 115.677 -0.692 . . . . 75.14 110.54 173.587 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 26.8 mt -101.05 11.68 39.11 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.176 -0.92 . . . . 73.53 110.816 -172.411 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 90.61 55.67 1.88 Allowed Glycine 0 C--N 1.332 0.328 0 CA-C-N 115.907 -0.588 . . . . 72.22 112.626 178.523 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -133.34 -136.97 3.8 Favored Glycine 0 N--CA 1.452 -0.258 0 N-CA-C 111.884 -0.486 . . . . 73.44 111.884 -178.766 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -105.25 -29.74 10.12 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 111.626 0.232 . . . . 63.22 111.626 -175.613 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.583 ' N ' ' HB2' ' A' ' 34' ' ' ARG . . . 53.06 39.66 57.72 Favored Glycine 0 CA--C 1.521 0.418 0 C-N-CA 121.32 -0.466 . . . . 45.53 113.198 -175.517 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.417 ' HB2' ' OG ' ' A' ' 31' ' ' SER . . . -78.52 163.15 25.8 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 110.152 -0.314 . . . . 51.12 110.152 178.12 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -75.22 67.98 1.91 Allowed 'General case' 0 C--O 1.234 0.266 0 CA-C-O 121.444 0.64 . . . . 71.23 111.096 -178.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -125.62 -165.71 12.13 Favored Glycine 0 N--CA 1.448 -0.511 0 CA-C-N 115.753 -0.658 . . . . 55.55 112.186 179.366 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.825 ' H ' ' HA ' ' A' ' 30' ' ' LEU . 40.1 m -91.83 146.06 24.06 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.989 -0.375 . . . . 74.01 109.989 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.521 ' HB2' ' HB3' ' A' ' 48' ' ' GLN . 12.7 m120 -77.83 117.85 68.41 Favored Pre-proline 0 C--N 1.328 -0.336 0 N-CA-C 109.951 -0.389 . . . . 72.33 109.951 176.178 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 86.6 Cg_exo -47.17 -42.93 26.4 Favored 'Trans proline' 0 C--N 1.348 0.542 0 C-N-CA 122.516 2.144 . . . . 63.04 111.823 174.464 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -59.41 -50.44 73.94 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 115.599 -0.728 . . . . 62.13 109.523 178.334 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.521 ' HB3' ' HB2' ' A' ' 45' ' ' ASN . 0.9 OUTLIER -63.4 -34.31 77.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 114.989 -1.005 . . . . 74.41 110.967 -178.037 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.485 HD13 ' HA3' ' B' ' 53' ' ' GLY . 2.8 tm? -67.67 -52.76 34.22 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.528 -0.545 . . . . 71.11 109.528 -178.531 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 53.6 t80 -59.81 -45.69 91.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.027 -0.533 . . . . 65.21 110.611 178.01 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -51.7 -53.05 43.33 Favored 'General case' 0 C--O 1.238 0.474 0 CA-C-N 115.964 -0.562 . . . . 52.03 111.316 176.476 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.451 ' HB3' ' HB3' ' B' ' 19' ' ' ALA . . . -59.82 -48.13 82.94 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.576 -0.738 . . . . 73.32 111.174 -179.04 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -65.63 -38.05 94.21 Favored Glycine 0 CA--C 1.518 0.241 0 C-N-CA 121.061 -0.59 . . . . 45.35 112.708 -178.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.575 ' HA ' ' SG ' ' A' ' 57' ' ' CYS . 1.7 t80 -66.59 -45.01 80.61 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.215 0.531 . . . . 74.55 110.253 -178.795 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.651 ' OG ' ' HB3' ' A' ' 81' ' ' ALA . 24.0 m -68.52 -47.78 66.06 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.211 -0.449 . . . . 73.1 109.918 178.405 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -56.52 -38.53 71.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.986 -0.552 . . . . 72.41 110.81 179.458 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.575 ' SG ' ' HA ' ' A' ' 54' ' ' TYR . 29.7 p -73.59 -35.87 65.47 Favored 'General case' 0 N--CA 1.453 -0.317 0 N-CA-C 109.808 -0.442 . . . . 74.4 109.808 177.644 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 12.0 t80 -60.0 -35.57 75.33 Favored 'General case' 0 CA--C 1.533 0.32 0 N-CA-C 110.022 -0.362 . . . . 74.24 110.022 -179.435 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -62.26 -59.0 5.65 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 116.292 -0.413 . . . . 74.12 110.556 175.163 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.512 ' HA ' ' HD3' ' A' ' 63' ' ' LYS . 18.0 t -60.05 -32.97 71.43 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-O 121.007 0.432 . . . . 74.4 110.362 -178.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.419 ' O ' HG22 ' A' ' 65' ' ' VAL . . . -65.29 -44.72 87.05 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.03 -0.532 . . . . 64.15 109.905 177.475 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.45 -33.33 74.62 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.973 -0.558 . . . . 61.32 110.498 176.527 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.512 ' HD3' ' HA ' ' A' ' 60' ' ' SER . 9.3 mtpm? -66.09 -48.19 71.77 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.23 -0.441 . . . . 62.32 110.266 177.393 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 57.2 t80 -62.93 -45.88 90.39 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 116.146 -0.479 . . . . 70.35 110.289 177.806 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.419 HG22 ' O ' ' A' ' 61' ' ' ALA . 47.1 t -56.63 -50.74 72.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.887 -0.597 . . . . 51.41 110.34 177.17 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -57.37 -34.43 68.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.159 0.504 . . . . 55.45 110.167 179.075 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -67.23 -33.92 84.22 Favored Glycine 0 N--CA 1.448 -0.562 0 CA-C-N 115.093 -0.958 . . . . 65.01 111.951 -177.687 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -96.28 -11.64 25.66 Favored 'General case' 0 C--O 1.224 -0.268 0 N-CA-C 109.473 -0.565 . . . . 73.33 109.473 -179.012 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -96.26 0.15 50.52 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.686 -0.688 . . . . 73.35 111.053 178.896 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 22.9 mmtm 61.13 31.5 19.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.371 -0.831 . . . . 70.5 110.619 174.311 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -122.97 167.69 13.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.485 . . . . 65.11 110.704 -178.181 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 36.3 p -119.69 142.28 48.63 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.793 -0.64 . . . . 71.13 110.292 178.171 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.413 ' HA ' ' HD3' ' A' ' 74' ' ' PRO . 98.1 mt -109.28 143.91 28.68 Favored Pre-proline 0 C--N 1.326 -0.439 0 CA-C-N 116.282 -0.417 . . . . 64.52 110.375 179.845 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.473 ' O ' HG21 ' A' ' 77' ' ' THR . 43.5 Cg_exo -58.56 134.76 63.07 Favored 'Trans proline' 0 C--N 1.348 0.505 0 C-N-CA 123.027 2.484 . . . . 75.32 112.092 178.593 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -77.19 -1.93 31.96 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.692 0.627 . . . . 74.43 112.692 -176.57 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -106.54 8.02 31.12 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-O 121.216 0.532 . . . . 72.44 111.133 -177.785 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.473 HG21 ' O ' ' A' ' 74' ' ' PRO . 9.9 t -74.76 153.76 38.65 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-O 121.259 0.552 . . . . 74.0 111.454 -176.689 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 26.9 m -151.96 150.59 30.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.823 -0.626 . . . . 72.13 110.306 -177.16 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 82.0 t -125.94 128.16 71.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 N-CA-C 109.887 -0.412 . . . . 73.54 109.887 176.191 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 87.0 m -112.6 117.17 31.55 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 110.205 -0.295 . . . . 61.0 110.205 177.002 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.651 ' HB3' ' OG ' ' A' ' 55' ' ' SER . . . -93.22 117.21 29.81 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.173 -0.467 . . . . 75.0 109.984 178.037 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.604 ' HG2' ' HD3' ' B' ' 6' ' ' LYS . 30.9 tt0 -112.71 107.34 15.97 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 107.76 -1.2 . . . . 75.53 107.76 178.139 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 14.4 m -109.8 139.27 33.67 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-N 116.095 -0.502 . . . . 74.25 111.186 -171.679 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.41 ' HA2' ' HA ' ' B' ' 6' ' ' LYS . . . -138.32 161.8 25.68 Favored Glycine 0 N--CA 1.437 -1.3 0 CA-C-N 115.526 -0.761 . . . . 64.22 111.663 179.286 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -134.13 129.88 54.25 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.914 0 N-CA-C 108.832 -0.803 . . . . 71.32 108.832 178.037 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -144.59 169.65 26.44 Favored Glycine 0 N--CA 1.453 -0.178 0 CA-C-N 115.495 -0.775 . . . . 64.2 111.366 179.7 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . 0.689 ' HD3' ' HG ' ' B' ' 4' ' ' LEU . 61.8 Cg_endo -90.31 138.36 2.72 Favored 'Trans proline' 0 N--CA 1.452 -0.97 0 C-N-CA 122.827 2.351 . . . . 75.13 112.342 -178.648 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -94.74 147.87 22.87 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.789 -0.641 . . . . 63.43 109.569 178.205 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -63.37 -15.04 56.29 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.0 0.37 . . . . 74.31 112.0 -177.05 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -70.14 -21.46 63.08 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-O 121.034 0.445 . . . . 62.35 110.721 175.197 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.35 35.42 3.36 Favored Glycine 0 CA--C 1.518 0.257 0 CA-C-N 116.124 -0.489 . . . . 52.42 112.966 178.308 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -141.06 -172.62 13.15 Favored Glycine 0 C--N 1.33 0.217 0 N-CA-C 111.173 -0.771 . . . . 74.12 111.173 176.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 29.4 m-85 -97.9 155.85 16.88 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 117.25 0.525 . . . . 72.25 110.243 176.543 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.48 ' HB1' ' HE1' ' B' ' 1' ' ' MET . . . -139.48 127.47 22.27 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.003 -0.544 . . . . 73.43 109.876 -177.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -97.27 125.33 41.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.995 -0.548 . . . . 75.45 110.418 -179.601 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -110.11 113.1 25.53 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.097 -0.956 . . . . 62.1 109.613 178.606 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 60.4 t -107.79 110.58 32.42 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.107 0 N-CA-C 109.542 -0.54 . . . . 41.42 109.542 177.619 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -98.7 102.28 13.96 Favored 'General case' 0 C--N 1.315 -0.899 0 N-CA-C 109.506 -0.553 . . . . 52.25 109.506 -177.775 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.419 HD11 ' CE2' ' A' ' 54' ' ' TYR . 88.9 mt -93.81 107.83 19.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.268 -0.423 . . . . 73.33 110.063 -177.696 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.547 ' HA ' ' O ' ' A' ' 137' ' ' VAL . 98.1 mtt180 -99.2 118.23 35.44 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.887 -0.597 . . . . 73.43 109.87 179.633 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.667 ' HB ' HG11 ' A' ' 138' ' ' VAL . 43.7 t -111.75 105.31 18.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 116.332 -0.395 . . . . 72.23 110.32 -173.428 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.504 ' HA ' ' HB1' ' A' ' 139' ' ' ALA . . . -91.79 101.33 13.93 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.71 -0.478 . . . . 73.1 109.71 177.798 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 19.1 mt -109.67 104.03 54.43 Favored Pre-proline 0 C--O 1.233 0.188 0 CA-C-N 115.247 -0.888 . . . . 73.31 109.617 178.253 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -70.68 151.28 63.72 Favored 'Trans proline' 0 N--CA 1.463 -0.298 0 C-N-CA 122.559 2.173 . . . . 73.52 112.269 -177.449 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 69.9 15.2 71.35 Favored Glycine 0 CA--C 1.52 0.401 0 CA-C-N 115.793 -0.64 . . . . 54.45 112.866 -179.181 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.487 HD23 ' HA ' ' A' ' 111' ' ' ALA . 21.9 tp -130.9 140.78 50.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.811 0.339 . . . . 65.03 110.739 -177.606 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -77.1 136.74 38.65 Favored 'General case' 0 CA--C 1.521 -0.146 0 CA-C-N 115.975 -0.557 . . . . 72.42 110.661 176.46 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -53.73 -38.8 64.7 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.079 -0.51 . . . . 74.35 111.421 179.177 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -56.26 -51.71 67.15 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 115.992 -0.549 . . . . 64.13 110.989 -179.327 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . 0.537 ' O ' HG23 ' A' ' 113' ' ' THR . . . -74.28 -34.62 63.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.683 0.754 . . . . 73.25 109.781 179.803 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . 0.487 ' HA ' HD23 ' A' ' 106' ' ' LEU . . . -55.8 -37.3 68.43 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 114.918 -1.037 . . . . 54.13 111.084 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -57.15 -49.32 76.31 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.069 -0.514 . . . . 74.23 110.919 176.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' THR . . . . . 0.537 HG23 ' O ' ' A' ' 110' ' ' ALA . 1.2 t -71.07 -34.98 71.7 Favored 'General case' 0 C--N 1.332 -0.154 0 C-N-CA 121.025 -0.27 . . . . 74.22 110.466 -175.541 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.454 ' HG ' ' O ' ' A' ' 110' ' ' ALA . 45.2 mt -63.68 -51.59 64.43 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 120.849 0.357 . . . . 61.01 110.442 179.453 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 97.6 t -66.83 -32.5 58.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.1 -0.5 . . . . 72.22 110.707 178.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -62.61 -58.72 6.52 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 120.681 0.277 . . . . 65.51 110.375 178.309 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . 0.504 ' HG2' ' O ' ' A' ' 113' ' ' THR . 14.7 ptm180 -60.01 -38.89 83.98 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-O 121.01 0.433 . . . . 65.24 110.215 -179.151 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -61.39 -40.04 92.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.815 -0.63 . . . . 63.41 110.368 175.631 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . 0.458 ' CG ' HD12 ' A' ' 136' ' ' LEU . 7.8 t-80 -71.31 -4.35 25.52 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 115.604 -0.725 . . . . 74.13 110.741 179.356 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 36.6 m170 -100.21 -51.68 3.59 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 120.989 0.424 . . . . 75.14 110.327 176.383 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 35.4 m -69.89 -38.72 76.4 Favored 'Isoleucine or valine' 0 C--O 1.233 0.208 0 CA-C-N 115.502 -0.772 . . . . 74.54 113.0 -169.326 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' CYS . . . . . 0.406 ' N ' ' HD3' ' A' ' 123' ' ' PRO . 79.8 m -143.8 67.65 15.94 Favored Pre-proline 0 CA--C 1.534 0.33 0 N-CA-C 112.349 0.5 . . . . 72.12 112.349 -176.523 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . 0.406 ' HD3' ' N ' ' A' ' 122' ' ' CYS . 62.8 Cg_endo -101.71 -165.49 0.05 OUTLIER 'Trans proline' 0 N--CA 1.452 -0.957 0 C-N-CA 123.614 2.876 . . . . 75.04 111.213 169.758 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . 0.53 ' CE2' ' SG ' ' A' ' 57' ' ' CYS . 4.4 m-30 -81.22 -19.2 43.73 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 120.891 0.377 . . . . 65.44 110.141 173.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 38.5 t 176.9 165.04 0.5 Allowed 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 115.499 -0.773 . . . . 65.33 109.137 177.613 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' ASN . . . . . 0.508 ' O ' ' HG2' ' A' ' 129' ' ' ARG . 27.1 t-20 -66.99 -31.4 71.95 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.705 0.764 . . . . 73.42 109.146 172.657 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . 0.526 ' CB ' ' HB1' ' B' ' 127' ' ' ALA . . . -65.07 6.54 0.24 Allowed 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 114.794 -1.093 . . . . 54.1 112.423 179.085 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' THR . . . . . 0.468 ' H ' ' C ' ' A' ' 126' ' ' ASN . 13.0 t -88.34 -2.65 58.72 Favored 'General case' 0 CA--C 1.51 -0.571 0 N-CA-C 108.191 -1.041 . . . . 73.21 108.191 -173.592 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . 0.508 ' HG2' ' O ' ' A' ' 126' ' ' ASN . 2.6 ptm180 -127.71 -48.19 1.39 Allowed 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 114.937 -1.029 . . . . 72.04 112.06 -177.798 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -78.4 -51.93 9.32 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-O 121.269 0.557 . . . . 71.52 110.893 178.384 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . 0.495 ' HB3' ' O ' ' A' ' 127' ' ' ALA . 4.7 t-20 -71.55 -44.04 65.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.285 -0.87 . . . . 72.12 111.207 -175.592 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 41.1 t -113.68 133.3 60.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.737 -0.665 . . . . 70.22 110.225 -170.781 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -73.6 89.68 1.74 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.734 0.778 . . . . 45.42 111.259 -177.809 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 65.5 t -112.32 105.14 18.22 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.67 0 CA-C-N 115.129 -0.942 . . . . 75.02 109.887 174.199 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 73.0 ttt180 -76.06 103.07 5.94 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.123 -0.944 . . . . 74.34 110.308 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . 0.458 HD12 ' CG ' ' A' ' 119' ' ' HIS . 30.7 mt -80.26 120.0 23.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.302 -0.408 . . . . 50.04 110.06 176.091 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . 0.547 ' O ' ' HA ' ' A' ' 100' ' ' ARG . 0.1 OUTLIER -129.63 114.63 31.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 N-CA-C 108.855 -0.794 . . . . 74.42 108.855 177.929 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . 0.667 HG11 ' HB ' ' A' ' 101' ' ' VAL . 2.4 t -112.22 133.73 57.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-O 120.976 0.417 . . . . 71.15 110.077 -175.09 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . 0.504 ' HB1' ' HA ' ' A' ' 102' ' ' ALA . . . . . . . . 0 C--N 1.322 -0.608 0 CA-C-N 115.604 -0.726 . . . . 73.13 111.01 -175.034 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.48 ' HE1' ' HB1' ' A' ' 94' ' ' ALA . 20.5 ptt? . . . . . 0 C--O 1.233 0.216 0 CA-C-O 120.688 0.28 . . . . 72.42 110.915 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 50.9 t30 -77.39 73.13 3.96 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 121.478 0.656 . . . . 61.35 110.521 178.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . 0.509 HG23 ' HB2' ' B' ' 6' ' ' LYS . 25.7 mm -60.17 132.09 25.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.259 -0.882 . . . . 72.42 111.314 175.125 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . 0.689 ' HG ' ' HD3' ' A' ' 87' ' ' PRO . 93.8 mt -83.62 -48.19 10.47 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.663 -0.699 . . . . 75.25 110.197 176.457 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 5' ' ' TYR . . . . . . . . . . . . . 35.5 t80 -135.54 126.47 27.66 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 116.333 -0.394 . . . . 75.45 110.704 -179.323 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . 0.604 ' HD3' ' HG2' ' A' ' 82' ' ' GLU . 28.7 ttmt -134.43 135.72 42.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.998 0.428 . . . . 65.01 110.936 177.026 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 10.9 t -134.01 150.34 51.23 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 115.593 -0.731 . . . . 73.02 109.058 177.546 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . 0.424 ' HB3' ' HG3' ' A' ' 82' ' ' GLU . . . -121.82 143.51 49.36 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-O 121.193 0.52 . . . . 64.22 111.81 -173.782 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . 0.576 ' HA ' ' H ' ' B' ' 22' ' ' HIS . . . -139.16 130.95 27.54 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.735 -0.666 . . . . 71.2 110.352 178.512 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 90.2 m -103.02 124.04 47.75 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.103 -0.499 . . . . 64.31 110.732 -178.059 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 73.9 p -114.94 118.9 34.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.836 0.351 . . . . 74.14 110.409 177.19 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 3.1 m -101.02 155.65 17.86 Favored 'General case' 0 C--O 1.238 0.452 0 CA-C-N 116.289 -0.414 . . . . 73.24 110.585 -179.753 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -83.62 74.79 2.47 Favored Glycine 0 N--CA 1.449 -0.47 0 N-CA-C 111.535 -0.626 . . . . 71.12 111.535 176.205 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -63.33 -100.29 0.01 OUTLIER Glycine 0 C--N 1.335 0.494 0 N-CA-C 111.998 -0.441 . . . . 73.4 111.998 178.662 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 16.7 mmt180 -88.83 -55.53 3.66 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.852 0.358 . . . . 65.14 110.079 172.453 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 16' ' ' ASP . . . . . 0.52 ' HB3' ' HA ' ' B' ' 31' ' ' SER . 37.0 t70 -126.2 -42.81 1.83 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.067 -0.515 . . . . 65.33 109.727 173.611 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -160.3 146.68 12.93 Favored Glycine 0 C--N 1.342 0.872 0 C-N-CA 120.491 -0.861 . . . . 74.22 111.724 166.68 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 18' ' ' ARG . . . . . 0.455 ' HA ' ' HA ' ' B' ' 29' ' ' LYS . 3.1 tmm_? -135.52 105.68 6.31 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 108.768 -0.827 . . . . 74.4 108.768 178.233 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 19' ' ' ALA . . . . . 0.451 ' HB3' ' HB3' ' A' ' 52' ' ' ALA . . . -101.28 123.93 46.17 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.41 -0.359 . . . . 64.31 110.757 -174.63 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 20' ' ' THR . . . . . 0.407 HG22 ' O ' ' B' ' 26' ' ' LEU . 50.1 m -132.51 117.49 18.07 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.201 -0.454 . . . . 75.11 110.659 -176.474 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 21' ' ' SER . . . . . 0.521 ' HB3' ' N ' ' B' ' 26' ' ' LEU . 27.4 t -67.2 110.39 3.46 Favored 'General case' 0 C--O 1.248 0.983 0 N-CA-C 106.858 -1.534 . . . . 74.21 106.858 174.212 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 22' ' ' HIS . . . . . 0.576 ' H ' ' HA ' ' B' ' 9' ' ' ALA . 22.8 t60 -50.43 -38.44 43.25 Favored 'General case' 0 N--CA 1.471 0.583 0 O-C-N 126.506 2.379 . . . . 73.12 112.682 -162.634 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . 0.462 ' OD2' ' HE2' ' B' ' 25' ' ' LYS . 12.6 p30 -80.41 23.82 0.48 Allowed 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 115.898 -0.592 . . . . 63.54 110.679 -177.698 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . 0.429 ' H ' ' C ' ' B' ' 22' ' ' HIS . 31.3 mm-40 68.54 22.34 7.72 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 115.153 -0.93 . . . . 71.43 111.281 174.396 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.462 ' HE2' ' OD2' ' B' ' 23' ' ' ASP . 44.8 mtmt -79.84 -25.25 40.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.321 -0.4 . . . . 41.25 110.685 174.486 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . 0.521 ' N ' ' HB3' ' B' ' 21' ' ' SER . 27.7 tp -154.35 148.88 26.28 Favored 'General case' 0 CA--C 1.505 -0.776 0 C-N-CA 119.542 -0.863 . . . . 73.34 112.243 -178.16 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -154.59 101.72 2.35 Favored 'General case' 0 N--CA 1.444 -0.734 0 CA-C-N 114.743 -1.117 . . . . 53.33 109.942 178.304 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 3.6 m -145.14 176.36 2.15 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.643 0 CA-C-O 121.557 0.694 . . . . 74.12 112.267 178.556 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.455 ' HA ' ' HA ' ' B' ' 18' ' ' ARG . 19.5 ttmt -135.35 144.57 46.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 114.808 -1.087 . . . . 74.12 109.982 -178.546 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . 0.715 ' HA ' ' H ' ' B' ' 44' ' ' THR . 0.0 OUTLIER -129.83 159.74 35.63 Favored 'General case' 0 C--O 1.253 1.275 0 CA-C-N 116.256 -0.429 . . . . 72.32 110.123 173.114 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 31' ' ' SER . . . . . 0.52 ' HA ' ' HB3' ' B' ' 16' ' ' ASP . 50.0 m -157.07 137.87 13.32 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 115.41 -0.814 . . . . 62.35 110.724 -177.16 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -51.41 113.58 4.12 Favored Pre-proline 0 C--O 1.24 0.566 0 CA-C-N 115.876 -0.602 . . . . 75.13 110.511 175.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 33' ' ' PRO . . . . . 0.585 ' HG2' HD21 ' B' ' 36' ' ' LEU . 9.6 Cg_endo -51.95 136.91 52.78 Favored 'Trans proline' 0 C--N 1.352 0.743 0 C-N-CA 123.005 2.47 . . . . 72.21 112.025 -177.5 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 34' ' ' ARG . . . . . 0.407 ' HB2' ' CA ' ' B' ' 40' ' ' GLY . 0.0 OUTLIER -67.38 -12.83 61.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 71.43 110.565 -175.893 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . 0.445 ' HB3' HD22 ' B' ' 36' ' ' LEU . 23.3 tp10 -55.7 -35.44 66.08 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-O 121.342 0.591 . . . . 72.42 110.077 175.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . 0.585 HD21 ' HG2' ' B' ' 33' ' ' PRO . 2.4 mm? -96.56 14.7 23.83 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 115.664 -0.698 . . . . 63.52 110.581 179.203 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 74.42 25.64 69.95 Favored Glycine 0 N--CA 1.453 -0.213 0 N-CA-C 111.703 -0.559 . . . . 51.22 111.703 -177.688 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -72.4 -127.73 0.09 OUTLIER Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 121.265 -0.493 . . . . 64.12 112.749 -178.294 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -103.11 -21.42 13.9 Favored 'General case' 0 C--N 1.328 -0.343 0 O-C-N 122.72 -0.283 . . . . 71.25 111.47 -176.121 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 40' ' ' GLY . . . . . 0.407 ' CA ' ' HB2' ' B' ' 34' ' ' ARG . . . 53.97 46.64 68.64 Favored Glycine 0 C--N 1.331 0.262 0 CA-C-N 116.136 -0.484 . . . . 53.13 113.42 -176.669 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -101.55 171.28 7.66 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.685 0.279 . . . . 75.21 110.26 177.797 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -85.33 69.64 10.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.784 0.802 . . . . 74.14 110.233 -174.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -138.4 -158.47 7.76 Favored Glycine 0 C--N 1.317 -0.507 0 CA-C-N 114.162 -1.381 . . . . 72.12 111.689 177.421 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 44' ' ' THR . . . . . 0.715 ' H ' ' HA ' ' B' ' 30' ' ' LEU . 14.9 t -123.43 177.78 5.47 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.767 -0.457 . . . . 70.51 109.767 179.38 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 45' ' ' ASN . . . . . 0.625 HD22 ' HB2' ' B' ' 48' ' ' GLN . 8.2 p-10 -103.34 132.66 20.89 Favored Pre-proline 0 CA--C 1.538 0.495 0 N-CA-C 110.135 -0.32 . . . . 71.14 110.135 -178.135 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 46' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -56.02 -50.02 13.62 Favored 'Trans proline' 0 C--N 1.353 0.795 0 C-N-CA 123.587 2.858 . . . . 54.41 114.428 -168.809 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.72 -30.7 70.13 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 121.298 -0.161 . . . . 73.03 110.648 -175.41 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . 0.625 ' HB2' HD22 ' B' ' 45' ' ' ASN . 0.7 OUTLIER -63.92 -48.85 74.96 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 121.031 0.444 . . . . 65.22 109.867 175.833 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -58.33 -50.85 72.18 Favored 'General case' 0 C--O 1.238 0.468 0 CA-C-N 115.317 -0.856 . . . . 73.15 110.095 -178.359 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 25.8 t80 -62.84 -43.14 99.6 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.002 -0.545 . . . . 74.53 110.911 178.242 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.23 -53.03 61.14 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-O 120.876 0.369 . . . . 63.22 111.231 178.146 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 52' ' ' ALA . . . . . 0.586 ' HB2' ' HB3' ' A' ' 19' ' ' ALA . . . -59.95 -45.55 92.28 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 115.871 -0.604 . . . . 74.31 110.54 -179.317 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . 0.485 ' HA3' HD13 ' A' ' 49' ' ' LEU . . . -65.21 -36.45 92.86 Favored Glycine 0 N--CA 1.451 -0.366 0 CA-C-N 115.7 -0.682 . . . . 73.22 112.702 179.326 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 4.9 t80 -69.93 -45.08 68.27 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 122.41 0.284 . . . . 73.43 110.36 -177.398 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 55' ' ' SER . . . . . 0.415 ' HB3' ' HB2' ' B' ' 81' ' ' ALA . 15.1 p -64.5 -47.93 77.06 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.174 -0.466 . . . . 71.55 110.161 178.518 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 56' ' ' ALA . . . . . 0.503 ' HB1' HD21 ' A' ' 30' ' ' LEU . . . -61.64 -35.08 76.89 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-O 121.283 0.563 . . . . 72.32 110.641 176.385 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 57' ' ' CYS . . . . . . . . . . . . . 41.9 t -68.62 -36.44 78.64 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 109.467 -0.568 . . . . 72.4 109.467 176.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -70.21 -30.45 67.55 Favored 'General case' 0 N--CA 1.454 -0.275 0 CA-C-N 116.062 -0.517 . . . . 61.11 109.777 -178.729 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . 0.452 ' O ' ' HG3' ' B' ' 63' ' ' LYS . 92.8 mt -64.6 -41.52 96.17 Favored 'General case' 0 C--N 1.333 -0.11 0 CA-C-O 121.111 0.481 . . . . 73.31 109.775 173.54 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 60' ' ' SER . . . . . 0.462 ' HA ' ' HZ2' ' B' ' 63' ' ' LYS . 22.1 m -66.12 -44.59 83.83 Favored 'General case' 0 C--O 1.238 0.464 0 CA-C-N 115.867 -0.606 . . . . 73.23 110.401 177.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . 0.404 ' O ' HG23 ' B' ' 65' ' ' VAL . . . -63.16 -37.14 86.04 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.988 -0.551 . . . . 44.1 109.864 176.504 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 62' ' ' MET . . . . . 0.624 ' HE2' ' HA ' ' B' ' 62' ' ' MET . 4.7 tpt -62.96 -38.32 90.6 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 115.51 -0.768 . . . . 71.0 109.842 177.838 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . 0.462 ' HZ2' ' HA ' ' B' ' 60' ' ' SER . 29.6 mtmm -63.02 -48.56 78.26 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 116.007 -0.542 . . . . 72.03 109.92 175.739 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 34.9 t80 -55.63 -48.93 74.13 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 116.205 -0.452 . . . . 73.11 110.753 177.439 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . 0.404 HG23 ' O ' ' B' ' 61' ' ' ALA . 55.0 t -55.43 -47.16 78.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.989 -0.551 . . . . 75.05 110.685 179.14 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -56.98 -32.24 65.88 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.096 0.474 . . . . 74.13 110.543 177.754 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -69.54 -31.42 70.93 Favored Glycine 0 C--N 1.33 0.22 0 CA-C-N 115.411 -0.813 . . . . 75.04 112.43 -177.106 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -94.35 -19.74 20.38 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.452 0.644 . . . . 64.5 109.487 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 20.2 m-80 -91.81 -0.08 57.51 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 114.998 -1.001 . . . . 65.21 110.664 177.54 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 3.2 mptp? 56.23 23.9 7.59 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 115.671 -0.695 . . . . 73.12 111.401 174.288 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -110.88 160.58 16.65 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.521 -0.763 . . . . 74.24 109.785 179.071 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 8.5 p -118.45 132.87 56.23 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 116.064 -0.516 . . . . 74.12 110.202 -179.5 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -109.25 140.87 22.42 Favored Pre-proline 0 CA--C 1.534 0.333 0 CA-C-N 116.172 -0.467 . . . . 75.15 110.848 -177.575 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 74' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -61.53 136.75 65.08 Favored 'Trans proline' 0 C--N 1.35 0.628 0 C-N-CA 122.974 2.449 . . . . 74.32 111.959 177.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -77.02 -15.94 59.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.921 0.391 . . . . 71.53 111.179 -179.025 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -80.73 6.66 12.22 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-O 121.364 0.602 . . . . 60.22 110.775 -178.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 77' ' ' THR . . . . . . . . . . . . . 12.6 t -75.97 166.27 23.74 Favored 'General case' 0 C--O 1.238 0.453 0 CA-C-N 115.939 -0.573 . . . . 73.25 110.719 178.435 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 12.9 t -158.46 158.12 33.51 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-O 121.454 0.645 . . . . 71.23 111.778 179.694 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 69.9 t -132.81 117.21 29.25 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-N 114.791 -1.095 . . . . 54.24 109.098 175.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 80' ' ' THR . . . . . 0.52 ' HA ' ' HA ' ' A' ' 10' ' ' THR . 12.9 m -98.06 108.46 21.18 Favored 'General case' 0 C--N 1.314 -0.948 0 CA-C-N 116.077 -0.51 . . . . 75.2 110.068 -178.662 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 81' ' ' ALA . . . . . 0.415 ' HB2' ' HB3' ' B' ' 55' ' ' SER . . . -93.08 104.61 16.8 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.525 -0.546 . . . . 73.43 109.525 178.609 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 82' ' ' GLU . . . . . 0.528 ' HB3' ' HB3' ' B' ' 98' ' ' GLU . 42.1 tt0 -107.71 107.89 18.87 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.271 -0.877 . . . . 71.23 109.281 -178.021 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 17.6 m -106.52 145.92 13.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 120.928 0.394 . . . . 71.44 110.904 -175.774 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 84' ' ' GLY . . . . . . . . . . . . . . . -135.87 159.61 24.31 Favored Glycine 0 N--CA 1.445 -0.763 0 CA-C-N 115.725 -0.671 . . . . 52.45 111.616 178.637 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 85' ' ' ILE . . . . . 0.482 HD12 ' CD2' ' B' ' 93' ' ' PHE . 0.0 OUTLIER -136.37 132.86 49.43 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 N-CA-C 109.231 -0.655 . . . . 73.1 109.231 -179.729 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -145.84 169.94 27.18 Favored Glycine 0 N--CA 1.451 -0.354 0 CA-C-N 115.043 -0.98 . . . . 52.3 110.738 178.793 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 87' ' ' PRO . . . . . 0.65 ' HD3' ' HG ' ' A' ' 4' ' ' LEU . 95.0 Cg_endo -82.49 151.95 15.37 Favored 'Trans proline' 0 N--CA 1.458 -0.591 0 C-N-CA 122.479 2.119 . . . . 70.05 112.385 -177.155 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 88' ' ' ASN . . . . . . . . . . . . . 24.0 t-20 -107.29 151.8 24.98 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 108.927 -0.768 . . . . 72.3 108.927 174.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -58.2 -25.56 61.74 Favored 'General case' 0 C--N 1.33 -0.27 0 O-C-N 123.135 0.272 . . . . 71.21 111.177 -178.104 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -67.42 -26.67 66.54 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 121.178 0.513 . . . . 74.05 110.875 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.09 35.04 3.52 Favored Glycine 0 N--CA 1.453 -0.197 0 CA-C-N 115.934 -0.575 . . . . 72.2 111.722 -176.71 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . -133.85 -174.75 13.63 Favored Glycine 0 N--CA 1.45 -0.379 0 N-CA-C 110.866 -0.894 . . . . 70.13 110.866 178.166 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 93' ' ' PHE . . . . . 0.482 ' CD2' HD12 ' B' ' 85' ' ' ILE . 47.4 m-85 -98.01 149.8 22.07 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.98 0.419 . . . . 73.12 110.468 179.629 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -136.2 134.64 38.38 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.739 -0.664 . . . . 62.21 109.482 -179.37 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -102.02 137.14 40.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.148 0.499 . . . . 74.21 111.268 -174.732 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 96' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -120.69 110.42 16.38 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 114.948 -1.024 . . . . 73.53 108.825 178.212 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 97' ' ' VAL . . . . . 0.422 ' HB ' HG23 ' B' ' 134' ' ' VAL . 51.9 t -105.27 129.69 57.67 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.777 0 CA-C-O 120.863 0.363 . . . . 65.34 110.732 -176.035 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 98' ' ' GLU . . . . . 0.528 ' HB3' ' HB3' ' B' ' 82' ' ' GLU . 1.7 tp10 -119.76 104.74 10.49 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.772 -0.649 . . . . 74.42 109.41 179.62 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 83.4 mt -99.36 106.71 18.82 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 110.34 -0.244 . . . . 75.14 110.34 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 100' ' ' ARG . . . . . 0.561 ' HA ' ' O ' ' B' ' 137' ' ' VAL . 52.6 mtt180 -98.92 115.42 28.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.104 -0.498 . . . . 70.24 110.253 -177.459 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 101' ' ' VAL . . . . . 0.406 HG11 HG23 ' B' ' 115' ' ' VAL . 78.9 t -98.87 113.44 33.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.942 -0.572 . . . . 60.12 110.949 -176.686 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -110.91 101.67 10.23 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.991 -0.374 . . . . 53.32 109.991 176.344 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 103' ' ' LEU . . . . . 0.72 HD21 HD23 ' B' ' 106' ' ' LEU . 34.2 tp -113.53 116.12 46.27 Favored Pre-proline 0 C--N 1.331 -0.214 0 N-CA-C 109.127 -0.694 . . . . 72.24 109.127 178.371 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 104' ' ' PRO . . . . . 0.528 ' HD2' HD12 ' B' ' 103' ' ' LEU . 41.9 Cg_endo -68.9 147.03 67.51 Favored 'Trans proline' 0 N--CA 1.46 -0.449 0 C-N-CA 122.568 2.179 . . . . 74.24 112.195 -175.486 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 105' ' ' GLY . . . . . . . . . . . . . . . 74.42 15.05 80.48 Favored Glycine 0 N--CA 1.45 -0.404 0 CA-C-N 115.646 -0.706 . . . . 72.34 112.07 -177.674 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 106' ' ' LEU . . . . . 0.72 HD23 HD21 ' B' ' 103' ' ' LEU . 39.7 tp -129.72 143.91 51.04 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 122.708 0.403 . . . . 65.44 110.673 -177.436 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -82.55 164.85 20.59 Favored 'General case' 0 CA--C 1.513 -0.448 0 CA-C-N 116.223 -0.444 . . . . 63.12 110.505 177.606 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 108' ' ' ALA . . . . . 0.562 ' O ' ' HG2' ' B' ' 112' ' ' LYS . . . -68.63 -45.51 71.67 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.632 -0.713 . . . . 74.55 109.87 168.802 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -58.26 -47.68 82.81 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 115.713 -0.676 . . . . 64.51 110.812 -177.241 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -70.59 -42.91 70.41 Favored 'General case' 0 C--O 1.237 0.432 0 CA-C-N 116.057 -0.519 . . . . 72.03 109.948 177.419 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -55.12 -33.1 62.58 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 115.655 -0.702 . . . . 64.14 111.623 177.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 112' ' ' LYS . . . . . 0.562 ' HG2' ' O ' ' B' ' 108' ' ' ALA . 73.9 mmtt -51.04 -48.04 61.59 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 120.782 0.325 . . . . 74.45 110.74 178.265 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 113' ' ' THR . . . . . . . . . . . . . 1.6 t -82.08 -39.72 23.01 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 116.314 -0.403 . . . . 72.03 110.992 -177.437 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 45.6 mt -63.74 -48.47 76.89 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.443 -0.344 . . . . 72.05 110.79 -177.256 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 115' ' ' VAL . . . . . 0.512 HG12 ' CD2' ' B' ' 119' ' ' HIS . 54.6 t -61.38 -40.65 86.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.181 -0.463 . . . . 63.55 110.328 177.516 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 116' ' ' ASP . . . . . 0.555 ' O ' ' HB2' ' B' ' 120' ' ' HIS . 10.8 t70 -55.47 -61.24 2.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.526 -0.761 . . . . 75.43 110.136 -179.309 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 117' ' ' ARG . . . . . . . . . . . . . 9.6 ptm85 -66.32 -41.95 88.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.724 -0.671 . . . . 70.2 111.445 -176.273 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -73.02 -21.18 60.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.176 -0.465 . . . . 61.11 112.012 -175.423 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 119' ' ' HIS . . . . . 0.512 ' CD2' HG12 ' B' ' 115' ' ' VAL . 3.7 m-70 -116.46 13.84 15.5 Favored 'General case' 0 N--CA 1.463 0.206 0 O-C-N 122.009 -0.432 . . . . 74.31 111.456 178.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 120' ' ' HIS . . . . . 0.555 ' HB2' ' O ' ' B' ' 116' ' ' ASP . 0.8 OUTLIER -83.75 -18.08 39.02 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 120.886 0.374 . . . . 73.32 110.205 -179.938 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 30.1 m -113.0 45.68 0.29 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.38 0 CA-C-N 115.74 -0.663 . . . . 73.14 111.283 -175.351 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 122' ' ' CYS . . . . . 0.6 ' SG ' ' NE ' ' B' ' 129' ' ' ARG . 25.6 p -68.9 128.54 92.78 Favored Pre-proline 0 CA--C 1.536 0.409 0 CA-C-N 116.273 -0.421 . . . . 74.53 111.152 -177.839 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 123' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -71.11 -29.45 17.62 Favored 'Trans proline' 0 C--N 1.352 0.739 0 C-N-CA 122.527 2.152 . . . . 65.25 112.146 178.548 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 124' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -77.9 75.7 4.44 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.303 -0.408 . . . . 65.35 110.291 178.103 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 125' ' ' SER . . . . . 0.652 ' HB2' ' HB ' ' B' ' 128' ' ' THR . 45.0 m 60.41 109.38 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.323 0 O-C-N 123.966 0.791 . . . . 64.23 112.323 175.445 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 126' ' ' ASN . . . . . . . . . . . . . 32.1 p-10 -58.61 -31.71 68.32 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 122.274 1.035 . . . . 74.24 108.394 170.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 127' ' ' ALA . . . . . 0.637 ' O ' ' HB3' ' B' ' 131' ' ' ASN . . . -76.97 6.6 6.0 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 114.071 -1.422 . . . . 74.33 112.573 -179.671 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 128' ' ' THR . . . . . 0.652 ' HB ' ' HB2' ' B' ' 125' ' ' SER . 3.3 t -87.32 -8.02 57.15 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 108.275 -1.009 . . . . 64.4 108.275 -176.269 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 129' ' ' ARG . . . . . 0.6 ' NE ' ' SG ' ' B' ' 122' ' ' CYS . 10.2 ptp180 -126.69 -35.36 2.33 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 114.421 -1.263 . . . . 75.21 110.413 -176.809 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 130' ' ' ASN . . . . . . . . . . . . . 54.7 m-80 -78.43 -51.87 9.4 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.877 -0.601 . . . . 74.14 111.009 173.4 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 131' ' ' ASN . . . . . 0.637 ' HB3' ' O ' ' B' ' 127' ' ' ALA . 3.3 t-20 -77.36 -43.74 31.81 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 121.227 0.537 . . . . 75.43 109.98 -178.873 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 132' ' ' VAL . . . . . 0.421 ' HB ' ' O ' ' B' ' 128' ' ' THR . 17.4 t -99.82 145.32 10.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.379 -0.828 . . . . 62.31 109.475 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 133' ' ' ALA . . . . . . . . . . . . . . . -76.07 101.28 5.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.274 0.559 . . . . 72.23 112.247 -174.015 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 134' ' ' VAL . . . . . 0.422 HG23 ' HB ' ' B' ' 97' ' ' VAL . 96.1 t -120.19 140.44 44.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.496 -0.774 . . . . 64.53 110.019 172.465 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 82.9 mtt-85 -115.64 110.26 18.93 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.724 -0.671 . . . . 74.32 109.488 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 21.1 mt -82.59 100.7 10.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.54 0.686 . . . . 72.41 109.846 176.486 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 137' ' ' VAL . . . . . 0.561 ' O ' ' HA ' ' B' ' 100' ' ' ARG . 0.2 OUTLIER -112.4 116.11 51.69 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 114.819 -1.082 . . . . 74.23 109.819 -176.242 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 138' ' ' VAL . . . . . . . . . . . . . 2.8 m -90.67 138.44 19.52 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 CA-C-N 115.679 -0.691 . . . . 70.52 109.959 -178.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 139' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.226 0 CA-C-O 118.505 -0.759 . . . . 71.35 110.695 -176.314 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.5 ptt? . . . . . 0 N--CA 1.485 1.284 0 CA-C-O 120.732 0.301 . . . . 71.43 110.858 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 33.3 t30 -73.46 74.63 1.42 Allowed 'General case' 0 CA--C 1.533 0.312 0 CA-C-O 121.244 0.545 . . . . 75.52 110.936 177.366 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.491 HG21 ' HB2' ' A' ' 6' ' ' LYS . 30.5 mm -72.48 125.0 30.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.957 -0.565 . . . . 51.02 111.511 174.615 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.736 ' HG ' ' HD3' ' B' ' 87' ' ' PRO . 89.4 mt -82.21 -45.07 15.56 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.347 -0.842 . . . . 74.21 110.134 176.309 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 39.3 t80 -137.34 127.11 25.49 Favored 'General case' 0 C--O 1.222 -0.364 0 CA-C-N 116.02 -0.536 . . . . 73.42 110.437 -178.084 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.491 ' HB2' HG21 ' A' ' 3' ' ' ILE . 31.9 ttmt -136.71 128.38 28.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.906 0.384 . . . . 62.42 110.121 175.16 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 15.2 t -133.3 154.15 50.95 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.808 -0.633 . . . . 73.02 109.662 -178.749 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.404 ' HA ' ' HA ' ' B' ' 82' ' ' GLU . . . -114.28 140.5 48.55 Favored 'General case' 0 C--O 1.237 0.431 0 CA-C-O 121.318 0.58 . . . . 64.34 112.542 -171.126 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -124.99 135.32 52.68 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.156 -0.929 . . . . 73.03 109.148 173.089 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 14.5 t -123.26 128.98 50.74 Favored 'General case' 0 N--CA 1.445 -0.687 0 N-CA-C 108.648 -0.871 . . . . 73.43 108.648 -178.436 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 71.0 m -125.34 114.61 19.12 Favored 'General case' 0 C--N 1.314 -0.943 0 CA-C-N 115.623 -0.717 . . . . 74.42 110.757 -175.189 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.1 m -101.37 157.79 16.54 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 115.586 -0.733 . . . . 72.12 110.831 -176.749 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -81.19 69.57 3.24 Favored Glycine 0 N--CA 1.451 -0.345 0 N-CA-C 111.247 -0.741 . . . . 62.44 111.247 174.691 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -57.71 -98.9 0.01 OUTLIER Glycine 0 C--N 1.336 0.57 0 C-N-CA 121.722 -0.275 . . . . 62.02 113.171 -176.473 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 17.0 mtp180 -88.71 -53.4 4.64 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.052 -0.722 . . . . 73.04 109.052 174.493 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -125.78 -42.48 1.91 Allowed 'General case' 0 C--O 1.235 0.292 0 N-CA-C 109.208 -0.664 . . . . 74.22 109.208 168.237 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.499 ' O ' ' HG3' ' A' ' 29' ' ' LYS . . . -156.56 151.98 23.38 Favored Glycine 0 C--N 1.336 0.568 0 N-CA-C 110.792 -0.923 . . . . 73.12 110.792 167.016 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.516 ' HA ' ' HA ' ' A' ' 29' ' ' LYS . 3.5 tmt_? -142.91 113.44 7.39 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 117.268 0.534 . . . . 73.24 109.668 -178.784 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -110.12 123.98 50.7 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.188 -0.46 . . . . 71.12 110.653 -175.157 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.478 HG23 ' O ' ' A' ' 26' ' ' LEU . 88.6 m -136.39 121.26 18.67 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.188 -0.46 . . . . 65.23 110.937 -175.662 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.668 ' HB3' ' N ' ' A' ' 26' ' ' LEU . 2.9 t -68.75 106.84 2.8 Favored 'General case' 0 C--O 1.248 1.008 0 N-CA-C 106.183 -1.784 . . . . 62.3 106.183 170.547 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.424 ' C ' ' H ' ' A' ' 24' ' ' GLN . 75.5 t60 -66.31 -14.63 62.32 Favored 'General case' 0 C--N 1.346 0.441 0 O-C-N 125.713 1.883 . . . . 71.44 110.505 -170.788 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.485 ' HB3' ' HE2' ' A' ' 25' ' ' LYS . 36.6 t0 -80.46 14.28 2.09 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.212 -0.904 . . . . 73.43 108.851 175.29 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.424 ' H ' ' C ' ' A' ' 22' ' ' HIS . 31.2 mm-40 69.69 30.08 3.99 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-N 114.518 -1.219 . . . . 72.53 111.213 173.006 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.485 ' HE2' ' HB3' ' A' ' 23' ' ' ASP . 51.0 mtmt -111.46 -9.58 14.21 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.939 -0.573 . . . . 73.44 111.986 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.668 ' N ' ' HB3' ' A' ' 21' ' ' SER . 41.0 tp -152.51 145.77 24.71 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 119.726 -0.79 . . . . 74.42 110.681 174.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -158.67 95.66 1.33 Allowed 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 121.012 0.434 . . . . 74.5 110.349 175.611 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 4.4 m -139.91 177.85 4.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 121.535 0.683 . . . . 62.12 111.359 178.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.516 ' HA ' ' HA ' ' A' ' 18' ' ' ARG . 16.7 ttpp -137.01 139.14 41.2 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.068 -0.969 . . . . 62.42 110.277 -177.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.57 ' HB3' ' OG1' ' A' ' 44' ' ' THR . 0.0 OUTLIER -127.25 170.99 11.85 Favored 'General case' 0 C--O 1.249 1.036 0 CA-C-N 116.038 -0.528 . . . . 73.21 110.189 179.317 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 12.6 p -159.34 147.57 17.7 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.799 -0.637 . . . . 75.34 111.285 -178.189 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -66.77 113.14 11.75 Favored Pre-proline 0 C--O 1.238 0.472 0 CA-C-N 115.772 -0.649 . . . . 52.21 110.066 175.489 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.536 ' HG3' ' ND2' ' A' ' 45' ' ' ASN . 15.5 Cg_endo -55.32 113.39 1.39 Allowed 'Trans proline' 0 C--N 1.348 0.542 0 C-N-CA 122.614 2.209 . . . . 73.33 111.497 -177.031 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.678 ' HD2' ' HA2' ' A' ' 40' ' ' GLY . 50.5 ttt180 -66.88 -6.84 18.03 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 116.308 -0.405 . . . . 64.52 111.453 -176.487 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -50.93 -21.85 1.95 Allowed 'General case' 0 N--CA 1.465 0.281 0 C-N-CA 123.483 0.713 . . . . 75.14 112.716 179.309 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 60.3 mt -117.78 35.3 4.76 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.898 0.38 . . . . 73.53 110.12 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 66.51 43.91 91.29 Favored Glycine 0 C--N 1.333 0.395 0 N-CA-C 110.955 -0.858 . . . . 72.22 110.955 -175.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -81.24 -110.55 0.34 Allowed Glycine 0 C--N 1.33 0.225 0 CA-C-N 115.115 -0.543 . . . . 73.44 113.068 -171.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -123.9 -57.54 1.61 Allowed 'General case' 0 C--O 1.234 0.247 0 CA-C-N 116.905 0.353 . . . . 63.22 111.289 -174.515 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.678 ' HA2' ' HD2' ' A' ' 34' ' ' ARG . . . -173.94 -80.07 0.05 OUTLIER Glycine 0 N--CA 1.447 -0.57 0 C-N-CA 119.411 -1.376 . . . . 45.53 114.29 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -72.64 -178.4 2.63 Favored 'General case' 0 C--O 1.235 0.33 0 N-CA-C 112.967 0.729 . . . . 51.12 112.967 -169.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -95.59 -53.51 3.7 Favored 'General case' 0 CA--C 1.498 -1.03 0 CA-C-O 123.021 1.391 . . . . 71.23 109.973 179.001 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.417 ' O ' ' HD2' ' B' ' 25' ' ' LYS . . . 40.56 -127.11 2.98 Favored Glycine 0 C--N 1.291 -1.955 0 CA-C-N 110.854 -2.885 . . . . 55.55 111.972 -177.387 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.57 ' OG1' ' HB3' ' A' ' 30' ' ' LEU . 32.8 p -129.01 156.82 43.2 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 108.707 -0.849 . . . . 74.01 108.707 170.294 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.536 ' ND2' ' HG3' ' A' ' 33' ' ' PRO . 1.1 m-20 -92.12 129.21 42.35 Favored Pre-proline 0 C--N 1.323 -0.572 0 N-CA-C 109.196 -0.668 . . . . 72.33 109.196 -179.363 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_endo -53.1 -35.62 73.4 Favored 'Trans proline' 0 CA--C 1.534 0.492 0 C-N-CA 122.578 2.185 . . . . 63.04 112.111 178.508 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.479 ' HG2' HD13 ' A' ' 95' ' ' LEU . 23.5 mp0 -71.51 -37.45 71.21 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-O 121.792 0.805 . . . . 62.13 109.092 179.611 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.499 ' HB2' HG21 ' B' ' 7' ' ' THR . 29.9 tt0 -66.89 -39.8 87.56 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 114.34 -1.3 . . . . 74.41 110.572 178.595 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.443 HD11 ' HA3' ' B' ' 53' ' ' GLY . 3.3 tm? -66.98 -47.49 71.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.695 -0.684 . . . . 71.11 109.397 179.083 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 46.3 t80 -59.44 -43.03 93.21 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.774 -0.648 . . . . 65.21 110.571 176.712 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.503 ' HB2' HG11 ' A' ' 83' ' ' VAL . . . -57.43 -53.31 59.54 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 116.174 -0.466 . . . . 52.03 111.434 177.151 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.426 ' HB2' ' HB3' ' B' ' 19' ' ' ALA . . . -59.7 -44.77 93.53 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 115.903 -0.589 . . . . 73.32 110.318 -179.615 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.494 ' O ' ' SG ' ' A' ' 57' ' ' CYS . . . -60.33 -52.12 54.58 Favored Glycine 0 C--O 1.223 -0.566 0 CA-C-N 115.533 -0.758 . . . . 45.35 112.114 178.853 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -57.11 -51.28 69.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.86 0.362 . . . . 74.55 110.449 -178.103 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.545 ' HB3' ' HB1' ' A' ' 81' ' ' ALA . 51.9 p -60.48 -52.15 66.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.457 . . . . 73.1 110.826 -177.227 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.477 ' HB1' HD23 ' B' ' 30' ' ' LEU . . . -61.47 -41.22 96.91 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-O 121.002 0.429 . . . . 72.41 110.997 179.848 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.58 ' SG ' ' HB3' ' B' ' 46' ' ' PRO . 96.2 m -63.34 -35.99 82.21 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.933 -0.576 . . . . 74.4 110.643 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 38.5 t80 -55.01 -31.82 61.34 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 116.305 -0.407 . . . . 74.24 110.345 -177.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 9.1 mp -64.21 -51.63 62.79 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.157 -0.474 . . . . 74.12 109.931 176.082 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 10.8 m -60.41 -37.72 81.73 Favored 'General case' 0 C--O 1.238 0.474 0 CA-C-O 121.214 0.53 . . . . 74.4 110.53 178.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -61.26 -49.28 77.69 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 116.0 -0.545 . . . . 64.15 109.931 177.46 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' MET . . . . . 0.455 ' HE3' ' HB3' ' A' ' 62' ' ' MET . 18.3 mtp -69.97 -20.43 63.31 Favored 'General case' 0 C--O 1.227 -0.128 0 CA-C-N 115.81 -0.632 . . . . 61.32 110.912 177.314 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 25.5 tptp -67.39 -44.84 77.89 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.159 -0.682 . . . . 62.32 109.159 174.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 33.5 t80 -63.89 -45.43 89.41 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 115.854 -0.612 . . . . 70.35 110.226 175.269 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 71.1 t -57.55 -51.37 70.79 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.17 0 CA-C-N 116.16 -0.473 . . . . 51.41 110.661 178.092 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -60.84 -29.3 69.42 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.852 -0.613 . . . . 55.45 110.172 179.236 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -71.52 -30.67 66.34 Favored Glycine 0 N--CA 1.45 -0.429 0 CA-C-N 115.547 -0.752 . . . . 65.01 112.2 -178.68 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -92.93 -22.47 19.2 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-O 121.245 0.545 . . . . 73.33 109.548 -178.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 16.6 m-80 -86.88 -1.85 58.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.04 -0.982 . . . . 73.35 110.701 176.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 9.6 mptt 60.93 26.47 16.39 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 115.919 -0.582 . . . . 70.5 111.18 177.091 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -113.44 168.09 10.04 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.086 0.469 . . . . 65.11 110.834 -178.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 33.1 p -120.94 145.65 47.48 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.661 -0.7 . . . . 71.13 109.955 178.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 96.5 mt -109.28 145.78 32.55 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.47 -0.332 . . . . 64.52 110.526 -179.587 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.454 ' O ' HG23 ' A' ' 77' ' ' THR . 37.9 Cg_exo -63.07 113.79 2.18 Favored 'Trans proline' 0 C--N 1.348 0.504 0 C-N-CA 122.708 2.272 . . . . 75.32 111.659 174.802 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -74.77 2.02 11.08 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.879 0.371 . . . . 74.43 111.832 -177.486 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.485 ' HB3' ' HG3' ' A' ' 104' ' ' PRO . 38.8 t70 -93.09 5.27 52.09 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.339 0.59 . . . . 72.44 110.752 -178.657 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.492 ' HA ' ' HD3' ' A' ' 104' ' ' PRO . 5.5 t -77.29 163.35 26.56 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-N 115.824 -0.625 . . . . 74.0 111.339 -179.351 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 9.2 m -148.24 149.03 31.18 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.008 -0.738 . . . . 72.13 109.008 177.555 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 93.1 t -127.05 129.85 71.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 N-CA-C 109.709 -0.478 . . . . 73.54 109.709 176.258 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 6.7 m -108.54 111.79 23.83 Favored 'General case' 0 C--N 1.318 -0.779 0 C-N-CA 120.863 -0.335 . . . . 61.0 110.434 176.439 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.545 ' HB1' ' HB3' ' A' ' 55' ' ' SER . . . -93.22 104.31 16.5 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.552 -0.536 . . . . 75.0 109.552 176.744 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.504 ' HG2' ' HD3' ' B' ' 6' ' ' LYS . 36.5 tt0 -109.0 107.58 17.99 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.347 -0.612 . . . . 75.53 109.347 -178.447 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.503 HG11 ' HB2' ' A' ' 51' ' ' ALA . 31.1 m -108.68 144.64 16.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-O 120.929 0.395 . . . . 74.25 111.111 -174.093 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.408 ' HA2' ' HA ' ' B' ' 6' ' ' LYS . . . -137.77 163.67 25.53 Favored Glycine 0 N--CA 1.442 -0.929 0 CA-C-N 115.647 -0.706 . . . . 64.22 111.853 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -135.31 130.15 50.67 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.847 0 N-CA-C 108.869 -0.789 . . . . 71.32 108.869 178.217 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -150.41 169.78 30.34 Favored Glycine 0 N--CA 1.451 -0.307 0 CA-C-N 115.161 -0.927 . . . . 64.2 111.12 178.127 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . 0.418 ' HD3' ' HG ' ' B' ' 4' ' ' LEU . 57.3 Cg_endo -71.47 134.72 25.01 Favored 'Trans proline' 0 C--O 1.235 0.371 0 C-N-CA 122.334 2.022 . . . . 75.13 112.116 -179.343 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . 0.489 ' HB2' ' HB2' ' A' ' 94' ' ' ALA . 5.4 t-20 -91.92 150.21 21.15 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.574 -0.739 . . . . 63.43 110.456 -177.676 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -57.58 -27.04 62.34 Favored 'General case' 0 CA--C 1.533 0.304 0 O-C-N 123.562 0.539 . . . . 74.31 111.567 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -69.53 -21.87 63.61 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 116.075 -0.511 . . . . 62.35 111.395 -179.553 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.27 35.32 3.41 Favored Glycine 0 CA--C 1.517 0.203 0 CA-C-N 116.276 -0.42 . . . . 52.42 112.238 -179.485 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -141.65 -152.2 5.68 Favored Glycine 0 C--O 1.23 -0.121 0 N-CA-C 110.931 -0.868 . . . . 74.12 110.931 176.603 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 54.0 m-85 -103.84 155.57 18.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 117.115 0.457 . . . . 72.25 109.915 176.399 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.489 ' HB2' ' HB2' ' A' ' 88' ' ' ASN . . . -141.17 130.1 23.14 Favored 'General case' 0 C--O 1.239 0.513 0 CA-C-N 116.294 -0.412 . . . . 73.43 110.146 179.742 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.479 HD13 ' HG2' ' A' ' 47' ' ' GLU . 4.3 mm? -98.05 123.47 42.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.601 -0.727 . . . . 75.45 109.941 178.284 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -110.0 110.48 21.41 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.449 -0.796 . . . . 62.1 109.46 -179.456 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.481 HG21 HG13 ' A' ' 83' ' ' VAL . 60.6 t -106.8 110.48 31.85 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.807 0 CA-C-N 115.893 -0.594 . . . . 41.42 110.741 -176.052 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.453 ' HG2' ' HB3' ' A' ' 135' ' ' ARG . 43.6 mt-10 -98.78 110.03 22.7 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.891 0.377 . . . . 52.25 110.234 179.081 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 87.2 mt -95.59 108.41 20.67 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.074 -0.512 . . . . 73.33 110.109 179.118 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.544 ' HA ' ' O ' ' A' ' 137' ' ' VAL . 61.8 ttp180 -99.11 110.4 22.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.013 -0.54 . . . . 73.43 109.808 -179.407 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 46.9 t -103.38 98.59 7.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.482 -0.326 . . . . 72.23 110.369 -174.168 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -91.89 101.49 14.06 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.92 0.391 . . . . 73.1 110.169 -179.446 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.559 ' HB3' HD22 ' A' ' 106' ' ' LEU . 0.3 OUTLIER -108.81 117.69 53.4 Favored Pre-proline 0 C--N 1.326 -0.442 0 N-CA-C 109.237 -0.653 . . . . 73.31 109.237 -177.743 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . 0.492 ' HD3' ' HA ' ' A' ' 77' ' ' THR . 61.1 Cg_endo -70.43 150.53 64.26 Favored 'Trans proline' 0 C--O 1.234 0.303 0 C-N-CA 122.85 2.367 . . . . 73.52 112.961 -177.857 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 64.31 15.43 58.93 Favored Glycine 0 CA--C 1.52 0.344 0 CA-C-N 115.536 -0.756 . . . . 54.45 113.282 178.109 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.559 HD22 ' HB3' ' A' ' 103' ' ' LEU . 27.0 tp -120.44 139.94 52.11 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.089 0.471 . . . . 65.03 110.854 -176.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -78.08 141.54 38.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.719 -0.673 . . . . 72.42 110.181 175.528 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -59.78 -40.65 88.98 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.395 -0.366 . . . . 74.35 110.953 178.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -57.0 -43.15 81.49 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 115.881 -0.6 . . . . 64.13 110.988 -179.332 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . 0.515 ' O ' HG22 ' A' ' 113' ' ' THR . . . -77.81 -38.14 47.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.043 -0.526 . . . . 73.25 110.237 178.697 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -55.89 -34.6 65.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.703 -0.68 . . . . 54.13 110.62 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . 0.429 ' O ' ' HB2' ' A' ' 116' ' ' ASP . 30.0 mmtp -54.11 -48.47 70.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.871 -0.604 . . . . 74.23 111.01 175.396 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' THR . . . . . 0.515 HG22 ' O ' ' A' ' 110' ' ' ALA . 1.2 t -74.89 -35.3 62.27 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.727 -0.215 . . . . 74.22 110.74 -177.011 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 57.8 mt -66.89 -49.5 65.4 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.899 0.381 . . . . 61.01 110.506 -178.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 73.0 t -64.57 -36.17 76.66 Favored 'Isoleucine or valine' 0 C--O 1.238 0.499 0 CA-C-N 116.056 -0.52 . . . . 72.22 110.213 178.454 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . 0.429 ' HB2' ' O ' ' A' ' 112' ' ' LYS . 8.9 t70 -59.18 -61.39 2.67 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 115.65 -0.705 . . . . 65.51 110.008 179.493 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . 0.486 ' HG2' ' O ' ' A' ' 113' ' ' THR . 14.6 ptm180 -61.59 -36.3 80.29 Favored 'General case' 0 CA--C 1.523 -0.062 0 CA-C-N 116.102 -0.499 . . . . 65.24 110.359 -177.747 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -57.96 -44.82 87.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.839 -0.619 . . . . 63.41 110.841 177.805 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 59.8 m80 -80.37 -0.13 35.6 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 116.492 -0.322 . . . . 74.13 111.654 -179.631 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 10.6 m170 -97.49 -44.53 6.8 Favored 'General case' 0 N--CA 1.464 0.256 0 N-CA-C 109.923 -0.399 . . . . 75.14 109.923 173.269 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 28.9 m -79.44 -30.49 13.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.051 -0.522 . . . . 74.54 111.077 -177.373 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 71.4 m -140.69 70.35 30.84 Favored Pre-proline 0 CA--C 1.533 0.319 0 N-CA-C 112.235 0.457 . . . . 72.12 112.235 -178.789 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_endo -89.79 147.61 4.87 Favored 'Trans proline' 0 N--CA 1.453 -0.877 0 C-N-CA 122.46 2.107 . . . . 75.04 109.675 164.706 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . 0.436 ' OH ' ' HA ' ' B' ' 47' ' ' GLU . 0.7 OUTLIER -59.04 -30.9 68.37 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-O 121.7 0.762 . . . . 65.44 109.375 -178.829 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' SER . . . . . 0.53 ' O ' HG23 ' A' ' 128' ' ' THR . 50.2 m -158.31 140.76 14.36 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 107.291 -1.374 . . . . 65.33 107.291 170.842 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 42.3 m-80 -58.62 -31.91 68.52 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 118.585 0.629 . . . . 73.42 110.433 -179.078 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . 0.615 ' O ' ' HB3' ' A' ' 131' ' ' ASN . . . -84.21 6.68 21.73 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.068 -0.515 . . . . 54.1 111.958 -179.317 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' THR . . . . . 0.53 HG23 ' O ' ' A' ' 125' ' ' SER . 1.7 t -93.82 -5.39 48.25 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.223 -0.658 . . . . 73.21 109.223 -172.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 3.1 ptm180 -117.94 -45.47 2.67 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.298 -0.865 . . . . 72.04 111.207 -176.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -78.46 -55.48 5.18 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-O 120.904 0.383 . . . . 71.52 110.608 175.663 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . 0.615 ' HB3' ' O ' ' A' ' 127' ' ' ALA . 2.7 t-20 -67.41 -43.87 80.17 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 115.803 -0.635 . . . . 72.12 110.168 -177.165 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 35.1 t -96.28 135.45 30.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.795 -0.639 . . . . 70.22 109.464 178.719 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . 0.401 ' HB3' ' O ' ' A' ' 95' ' ' LEU . . . -73.6 101.31 3.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.307 0.575 . . . . 45.42 111.836 -173.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . 0.408 HG21 ' HB ' ' A' ' 97' ' ' VAL . 50.1 t -124.05 125.0 70.13 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.348 0 CA-C-N 115.416 -0.811 . . . . 75.02 110.22 175.881 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . 0.453 ' HB3' ' HG2' ' A' ' 98' ' ' GLU . 21.4 ttt180 -100.78 119.68 38.99 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.448 -0.797 . . . . 74.34 109.718 179.576 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 41.0 mt -91.23 119.69 31.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.156 0.503 . . . . 50.04 111.265 -178.692 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . 0.544 ' O ' ' HA ' ' A' ' 100' ' ' ARG . 0.2 OUTLIER -126.65 115.1 40.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 115.526 -0.761 . . . . 74.42 109.878 178.585 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 2.9 m -91.92 138.9 18.81 Favored 'Isoleucine or valine' 0 C--O 1.238 0.486 0 CA-C-O 121.091 0.472 . . . . 71.15 110.05 -179.253 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.319 -0.737 0 CA-C-N 115.69 -0.686 . . . . 73.13 110.759 -176.915 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.482 ' HE3' ' HB1' ' A' ' 94' ' ' ALA . 18.7 ptt? . . . . . 0 C--O 1.234 0.26 0 CA-C-O 120.669 0.271 . . . . 72.42 111.059 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 43.5 t30 -77.55 74.17 4.12 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-O 121.57 0.7 . . . . 61.35 110.698 179.022 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . 0.511 HG22 ' HB2' ' B' ' 6' ' ' LYS . 30.1 mm -64.42 128.33 26.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.312 -0.858 . . . . 72.42 111.009 175.291 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . 0.418 ' HG ' ' HD3' ' A' ' 87' ' ' PRO . 94.1 mt -81.31 -43.48 19.06 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.82 -0.627 . . . . 75.25 110.253 177.706 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 5' ' ' TYR . . . . . . . . . . . . . 22.8 t80 -140.66 129.81 23.54 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 116.268 -0.424 . . . . 75.45 110.615 -179.681 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . 0.511 ' HB2' HG22 ' B' ' 3' ' ' ILE . 31.0 ttmt -138.04 135.94 36.36 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.89 0.376 . . . . 65.01 110.946 177.638 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 7' ' ' THR . . . . . 0.499 HG21 ' HB2' ' A' ' 48' ' ' GLN . 9.8 t -127.86 145.67 50.87 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-N 115.885 -0.598 . . . . 73.02 109.901 178.256 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . 0.438 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . . . -110.48 134.76 52.05 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 116.35 -0.386 . . . . 64.22 110.596 -179.637 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -125.84 128.7 48.05 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.982 -0.377 . . . . 71.2 109.982 177.013 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 5.7 t -100.98 125.81 47.61 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.175 0.512 . . . . 64.31 110.135 -178.294 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 15.3 p -116.74 113.32 22.42 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.747 -0.66 . . . . 74.14 109.778 177.235 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 3.1 m -102.52 161.58 13.61 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.797 -0.638 . . . . 73.24 111.192 -175.457 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -76.06 75.48 1.52 Allowed Glycine 0 N--CA 1.449 -0.494 0 N-CA-C 111.641 -0.584 . . . . 71.12 111.641 172.711 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -69.89 -128.6 0.06 OUTLIER Glycine 0 CA--C 1.523 0.547 0 C-N-CA 121.576 -0.345 . . . . 73.4 112.507 175.247 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 2.2 tpm_? -64.0 -55.03 25.31 Favored 'General case' 0 N--CA 1.465 0.291 0 N-CA-C 109.726 -0.472 . . . . 65.14 109.726 176.58 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 16' ' ' ASP . . . . . 0.525 ' HB3' ' HA ' ' B' ' 31' ' ' SER . 37.4 t70 -126.5 -42.32 1.82 Allowed 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 108.822 -0.807 . . . . 65.33 108.822 170.109 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -155.45 152.96 24.41 Favored Glycine 0 N--CA 1.448 -0.549 0 CA-C-N 115.496 -0.775 . . . . 74.22 111.636 169.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 18' ' ' ARG . . . . . 0.419 ' HD3' ' O ' ' B' ' 28' ' ' VAL . 3.6 tpp180 -122.57 145.64 48.16 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 108.757 -0.831 . . . . 74.4 108.757 176.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 19' ' ' ALA . . . . . 0.426 ' HB3' ' HB2' ' A' ' 52' ' ' ALA . . . -134.15 123.34 24.22 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.46 -0.57 . . . . 64.31 109.46 172.416 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 38.1 m -140.61 112.15 7.41 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.928 -0.578 . . . . 75.11 110.149 -177.487 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 21' ' ' SER . . . . . 0.481 ' CB ' ' HB3' ' B' ' 26' ' ' LEU . 20.7 t -74.74 115.45 14.34 Favored 'General case' 0 C--O 1.249 1.027 0 N-CA-C 107.531 -1.285 . . . . 74.21 107.531 176.71 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 22' ' ' HIS . . . . . . . . . . . . . 74.0 t60 -68.19 -12.95 61.82 Favored 'General case' 0 C--N 1.343 0.305 0 O-C-N 125.929 2.018 . . . . 73.12 112.182 -164.548 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . 0.452 ' OD1' ' HE2' ' B' ' 25' ' ' LYS . 23.4 p30 -80.51 11.8 3.48 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 121.683 0.754 . . . . 63.54 109.325 172.758 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 32.2 mm-40 72.0 22.54 3.73 Favored 'General case' 0 CA--C 1.51 -0.558 0 CA-C-N 113.941 -1.481 . . . . 71.43 111.25 170.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.452 ' HE2' ' OD1' ' B' ' 23' ' ' ASP . 48.7 mtmt -99.23 -13.63 19.63 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-N 115.81 -0.632 . . . . 41.25 111.625 177.79 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . 0.481 ' HB3' ' CB ' ' B' ' 21' ' ' SER . 62.6 tp -140.66 138.02 34.01 Favored 'General case' 0 C--N 1.347 0.476 0 C-N-CA 119.237 -0.985 . . . . 73.34 110.899 176.221 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -158.49 94.08 1.24 Allowed 'General case' 0 N--CA 1.463 0.202 0 O-C-N 123.508 0.505 . . . . 53.33 110.484 175.583 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . 0.419 ' O ' ' HD3' ' B' ' 18' ' ' ARG . 4.0 m -146.71 177.89 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.728 -0.669 . . . . 74.12 110.483 178.118 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -131.74 144.19 50.79 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.868 -0.606 . . . . 74.12 110.193 -177.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . 0.578 ' HA ' ' H ' ' B' ' 44' ' ' THR . 0.0 OUTLIER -125.06 167.04 15.31 Favored 'General case' 0 C--O 1.249 1.027 0 CA-C-N 116.329 -0.396 . . . . 72.32 110.227 178.463 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 31' ' ' SER . . . . . 0.525 ' HA ' ' HB3' ' B' ' 16' ' ' ASP . 50.6 m -160.58 133.58 6.54 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 115.892 -0.595 . . . . 62.35 111.431 -173.351 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -73.63 116.52 52.47 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 115.784 -0.644 . . . . 75.13 109.454 172.269 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 33' ' ' PRO . . . . . 0.61 ' HB2' ' HG2' ' B' ' 35' ' ' GLU . 25.3 Cg_endo -61.46 153.95 62.64 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.251 1.967 . . . . 72.21 112.042 -177.695 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 4.8 mmt180 -70.56 -11.16 60.75 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.075 -0.511 . . . . 71.43 110.616 -179.653 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . 0.61 ' HG2' ' HB2' ' B' ' 33' ' ' PRO . 6.2 mm-40 -48.83 -46.01 41.43 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 121.541 0.686 . . . . 72.42 110.647 177.513 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 27.0 mt -103.94 17.61 23.75 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.213 -0.903 . . . . 63.52 110.728 -175.089 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 80.87 37.99 17.47 Favored Glycine 0 N--CA 1.452 -0.3 0 CA-C-N 115.964 -0.562 . . . . 51.22 112.157 -178.277 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -88.07 -133.54 4.3 Favored Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 120.973 -0.632 . . . . 64.12 112.28 178.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -103.56 -29.13 11.32 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.976 0.417 . . . . 71.25 110.924 -175.615 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 81.86 83.99 0.79 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.905 -0.664 . . . . 53.13 112.075 -179.088 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -164.11 147.25 9.48 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.934 -0.395 . . . . 75.21 109.934 -179.453 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -88.94 76.56 7.86 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.81 0.814 . . . . 74.14 110.671 -178.152 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -112.54 -124.87 4.37 Favored Glycine 0 N--CA 1.452 -0.277 0 CA-C-N 114.93 -1.032 . . . . 72.12 111.288 175.598 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 44' ' ' THR . . . . . 0.578 ' H ' ' HA ' ' B' ' 30' ' ' LEU . 77.3 m -127.78 144.91 51.06 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.94 -0.393 . . . . 70.51 109.94 175.433 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 45' ' ' ASN . . . . . 0.412 ' HB3' ' OE1' ' B' ' 47' ' ' GLU . 14.3 m120 -79.88 143.0 57.07 Favored Pre-proline 0 CA--C 1.534 0.351 0 CA-C-N 116.214 -0.448 . . . . 71.14 110.238 178.78 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 46' ' ' PRO . . . . . 0.58 ' HB3' ' SG ' ' A' ' 57' ' ' CYS . 38.0 Cg_exo -61.32 -64.15 0.09 OUTLIER 'Trans proline' 0 C--N 1.35 0.633 0 C-N-CA 123.18 2.587 . . . . 54.41 113.116 -176.526 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 47' ' ' GLU . . . . . 0.482 ' HG2' HG21 ' B' ' 83' ' ' VAL . 0.0 OUTLIER -63.11 -30.25 71.44 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.009 -0.541 . . . . 73.03 110.311 -175.904 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . 0.409 ' HB3' ' HB2' ' B' ' 45' ' ' ASN . 7.7 tt0 -65.01 -42.95 93.97 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.581 -0.736 . . . . 65.22 110.395 175.058 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 49' ' ' LEU . . . . . 0.415 HD13 ' HA3' ' A' ' 53' ' ' GLY . 3.3 tm? -61.09 -47.77 84.76 Favored 'General case' 0 C--O 1.235 0.333 0 N-CA-C 109.074 -0.713 . . . . 73.15 109.074 179.366 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 46.0 t80 -58.78 -46.09 88.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.695 -0.684 . . . . 74.53 110.785 175.568 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -52.45 -53.02 50.94 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.064 -0.516 . . . . 63.22 111.302 178.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.22 -46.87 88.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.054 -0.521 . . . . 74.31 110.896 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . 0.443 ' HA3' HD11 ' A' ' 49' ' ' LEU . . . -62.34 -42.06 99.73 Favored Glycine 0 N--CA 1.451 -0.309 0 CA-C-N 115.803 -0.635 . . . . 73.22 112.495 -179.322 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 8.7 t80 -75.49 -34.85 60.88 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 122.11 0.164 . . . . 73.43 110.923 -176.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 19.9 p -67.07 -44.66 79.51 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 109.881 -0.415 . . . . 71.55 109.881 178.093 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 56' ' ' ALA . . . . . 0.509 ' HB1' HD22 ' A' ' 30' ' ' LEU . . . -65.01 -43.38 92.7 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.913 -0.585 . . . . 72.32 110.361 175.72 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 57' ' ' CYS . . . . . 0.439 ' SG ' ' HE2' ' B' ' 124' ' ' TYR . 42.1 t -61.83 -36.22 80.53 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.686 -0.688 . . . . 72.4 110.627 178.363 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 11.9 t80 -60.64 -35.37 76.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.91 -0.586 . . . . 61.11 109.697 -179.043 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 96.8 mt -67.25 -41.25 85.91 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.637 -0.71 . . . . 73.31 110.121 175.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 21.2 m -64.76 -40.41 95.24 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 116.055 -0.521 . . . . 73.23 110.87 178.728 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.68 -50.71 56.31 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.009 0.433 . . . . 44.1 110.174 178.71 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 62' ' ' MET . . . . . 0.626 ' HA ' ' HE3' ' B' ' 62' ' ' MET . 3.2 tpt -58.04 -30.78 66.42 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 115.714 -0.675 . . . . 71.0 109.876 176.647 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 38.9 ttmt -70.39 -48.13 57.62 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.646 -0.706 . . . . 72.03 110.482 177.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 66.7 t80 -59.75 -36.81 77.4 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 121.118 0.485 . . . . 73.11 109.779 178.584 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 52.9 t -63.45 -49.27 83.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.643 -0.708 . . . . 75.05 109.952 173.183 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 66' ' ' ALA . . . . . 0.437 ' HA ' ' HG3' ' B' ' 71' ' ' GLN . . . -56.26 -32.55 64.63 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.116 -0.493 . . . . 74.13 111.07 -179.785 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -70.12 -30.49 69.71 Favored Glycine 0 N--CA 1.453 -0.194 0 CA-C-N 115.699 -0.682 . . . . 75.04 112.003 -177.128 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -99.15 -15.13 19.06 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.221 0.534 . . . . 64.5 109.957 -179.077 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -92.9 -2.54 55.75 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.482 -0.781 . . . . 65.21 110.51 177.289 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 60.61 22.73 12.52 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 115.683 -0.69 . . . . 73.12 111.489 176.482 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . 0.437 ' HG3' ' HA ' ' B' ' 66' ' ' ALA . 2.0 pt20 -104.75 165.04 11.34 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.223 -0.899 . . . . 74.24 109.199 175.81 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 29.1 p -126.23 138.16 53.6 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.425 -0.352 . . . . 74.12 110.16 -177.601 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . 0.59 HD12 ' HG3' ' B' ' 62' ' ' MET . 95.8 mt -106.97 137.88 19.65 Favored Pre-proline 0 C--N 1.324 -0.506 0 CA-C-N 116.146 -0.479 . . . . 75.15 110.294 -179.067 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 74' ' ' PRO . . . . . 0.441 ' O ' HG21 ' B' ' 77' ' ' THR . 37.9 Cg_endo -66.4 139.25 53.57 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 123.012 2.474 . . . . 74.32 112.039 177.574 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -76.76 -7.76 56.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.325 0.583 . . . . 71.53 110.577 178.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -87.82 2.79 50.47 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 115.769 -0.651 . . . . 60.22 111.093 -179.365 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 77' ' ' THR . . . . . 0.441 HG21 ' O ' ' B' ' 74' ' ' PRO . 13.0 t -77.76 157.35 30.06 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.141 -0.481 . . . . 73.25 111.236 -177.223 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 8.4 m -148.49 149.08 31.03 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.167 -0.469 . . . . 71.23 110.428 -179.714 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 74.0 t -129.77 119.52 47.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 N-CA-C 109.115 -0.698 . . . . 54.24 109.115 173.066 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 24.5 m -105.7 110.59 22.96 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.06 0.457 . . . . 75.2 110.566 -177.238 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -96.61 107.73 20.22 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.823 -0.626 . . . . 73.43 109.643 178.307 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 82' ' ' GLU . . . . . 0.404 ' HA ' ' HA ' ' A' ' 8' ' ' ALA . 35.8 tt0 -103.91 116.78 32.89 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.033 -0.728 . . . . 71.23 109.033 179.264 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . 0.482 HG21 ' HG2' ' B' ' 47' ' ' GLU . 14.2 m -105.51 146.83 11.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.959 -0.564 . . . . 71.44 111.17 -174.546 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 84' ' ' GLY . . . . . 0.414 ' HA2' ' HA ' ' A' ' 6' ' ' LYS . . . -141.94 158.64 26.79 Favored Glycine 0 N--CA 1.44 -1.073 0 CA-C-N 115.525 -0.761 . . . . 52.45 111.308 178.344 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -140.65 133.26 31.8 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 N-CA-C 109.238 -0.652 . . . . 73.1 109.238 -178.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -149.63 169.65 29.83 Favored Glycine 0 CA--C 1.517 0.212 0 O-C-N 123.875 0.734 . . . . 52.3 111.448 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 87' ' ' PRO . . . . . 0.736 ' HD3' ' HG ' ' A' ' 4' ' ' LEU . 9.3 Cg_exo -71.13 127.29 13.33 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.743 2.295 . . . . 70.05 111.714 -178.589 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 88' ' ' ASN . . . . . 0.508 ' HB2' ' HB3' ' B' ' 94' ' ' ALA . 24.6 t-20 -73.56 160.08 32.18 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.605 -0.517 . . . . 72.3 109.605 179.26 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -65.09 -16.83 63.9 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-O 120.85 0.357 . . . . 71.21 110.997 -179.376 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -74.05 -21.32 59.99 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-O 121.202 0.525 . . . . 74.05 110.619 174.129 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.24 3.07 44.8 Favored Glycine 0 CA--C 1.519 0.322 0 CA-C-N 115.953 -0.567 . . . . 72.2 112.521 -177.467 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . -98.53 -152.21 27.64 Favored Glycine 0 C--N 1.329 0.194 0 N-CA-C 111.004 -0.838 . . . . 70.13 111.004 176.593 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 93' ' ' PHE . . . . . . . . . . . . . 9.7 m-85 -102.37 155.39 18.27 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 117.299 0.55 . . . . 73.12 110.727 174.793 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 94' ' ' ALA . . . . . 0.508 ' HB3' ' HB2' ' B' ' 88' ' ' ASN . . . -144.59 139.43 28.12 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.396 -0.82 . . . . 62.21 109.312 178.362 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -100.8 149.34 23.94 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.159 0.504 . . . . 74.21 110.858 -178.078 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 96' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -137.72 110.53 7.64 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 114.92 -1.036 . . . . 73.53 108.514 178.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 97' ' ' VAL . . . . . 0.502 ' O ' ' HA ' ' B' ' 134' ' ' VAL . 2.4 p -122.92 117.44 51.8 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.082 0 CA-C-O 121.15 0.5 . . . . 65.34 111.253 -176.032 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -106.14 118.59 37.03 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.817 -0.629 . . . . 74.42 110.298 179.826 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 82.8 mt -95.89 111.81 23.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.576 -0.738 . . . . 75.14 109.572 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 100' ' ' ARG . . . . . 0.581 ' HA ' ' O ' ' B' ' 137' ' ' VAL . 86.7 mtt180 -99.04 113.35 25.5 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 110.056 -0.349 . . . . 70.24 110.056 -177.14 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 101' ' ' VAL . . . . . . . . . . . . . 82.5 t -98.21 111.64 28.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.889 -0.596 . . . . 60.12 110.559 -176.624 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -114.14 101.56 9.32 Favored 'General case' 0 C--O 1.236 0.358 0 O-C-N 123.353 0.408 . . . . 53.32 110.028 177.365 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 103' ' ' LEU . . . . . 0.672 HD22 HD23 ' B' ' 106' ' ' LEU . 31.8 tp -113.85 120.4 39.14 Favored Pre-proline 0 C--N 1.324 -0.523 0 N-CA-C 108.687 -0.856 . . . . 72.24 108.687 178.754 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 104' ' ' PRO . . . . . 0.455 ' HD2' HD13 ' B' ' 103' ' ' LEU . 39.2 Cg_endo -69.91 144.27 52.74 Favored 'Trans proline' 0 N--CA 1.459 -0.52 0 C-N-CA 122.083 1.855 . . . . 74.24 111.978 -175.878 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 105' ' ' GLY . . . . . . . . . . . . . . . 72.0 15.17 76.26 Favored Glycine 0 CA--C 1.521 0.439 0 CA-C-N 115.38 -0.827 . . . . 72.34 112.622 -176.815 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 106' ' ' LEU . . . . . 0.672 HD23 HD22 ' B' ' 103' ' ' LEU . 36.2 tp -118.47 139.5 51.32 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 120.913 0.387 . . . . 65.44 111.121 -179.128 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -86.13 148.36 25.72 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.605 -0.725 . . . . 63.12 110.318 174.027 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 108' ' ' ALA . . . . . 0.488 ' O ' ' HG2' ' B' ' 112' ' ' LYS . . . -61.46 -38.88 88.84 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.851 0.357 . . . . 74.55 110.695 178.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -55.59 -42.37 74.71 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 115.946 -0.57 . . . . 64.51 111.379 -179.549 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 110' ' ' ALA . . . . . 0.488 ' O ' HG22 ' B' ' 113' ' ' THR . . . -77.8 -38.08 47.3 Favored 'General case' 0 C--O 1.239 0.539 0 CA-C-O 121.402 0.62 . . . . 72.03 110.173 177.342 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 111' ' ' ALA . . . . . 0.462 ' O ' HG23 ' B' ' 115' ' ' VAL . . . -56.14 -34.91 66.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.395 -0.821 . . . . 64.14 110.809 179.248 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 112' ' ' LYS . . . . . 0.488 ' HG2' ' O ' ' B' ' 108' ' ' ALA . 29.7 mmmt -53.74 -49.37 68.3 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-N 116.29 -0.414 . . . . 74.45 110.691 177.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 113' ' ' THR . . . . . 0.488 HG22 ' O ' ' B' ' 110' ' ' ALA . 1.3 t -74.73 -36.2 62.67 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.399 -0.364 . . . . 72.03 110.364 -177.352 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 114' ' ' LEU . . . . . 0.438 ' HG ' ' O ' ' B' ' 110' ' ' ALA . 51.9 mt -63.16 -46.09 88.78 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-O 120.876 0.369 . . . . 72.05 110.645 -178.857 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 115' ' ' VAL . . . . . 0.522 HG22 HG13 ' B' ' 138' ' ' VAL . 58.3 t -68.69 -36.7 75.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.992 -0.549 . . . . 63.55 110.251 178.595 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -58.87 -51.93 67.93 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-N 116.11 -0.496 . . . . 75.43 110.648 179.535 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 117' ' ' ARG . . . . . 0.477 ' HG2' ' O ' ' B' ' 113' ' ' THR . 5.9 ptm180 -69.98 -46.79 64.43 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-N 115.892 -0.595 . . . . 70.2 110.805 -177.371 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -60.71 -45.33 94.66 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 121.18 0.514 . . . . 61.11 110.983 -176.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 119' ' ' HIS . . . . . 0.53 ' CD2' ' HB3' ' B' ' 129' ' ' ARG . 46.3 t60 -75.0 -1.16 21.4 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 115.753 -0.658 . . . . 74.31 110.683 -177.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 120' ' ' HIS . . . . . 0.52 ' HB2' ' NH1' ' B' ' 129' ' ' ARG . 42.3 t-80 -108.58 -40.94 4.95 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 116.152 -0.476 . . . . 73.32 111.16 178.837 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 121' ' ' VAL . . . . . 0.418 HG21 ' O ' ' B' ' 117' ' ' ARG . 24.4 m -92.45 -26.58 4.84 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.428 0 N-CA-C 112.373 0.508 . . . . 73.14 112.373 -172.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 122' ' ' CYS . . . . . 0.535 ' N ' ' HD3' ' B' ' 123' ' ' PRO . 66.6 m -139.45 58.01 11.33 Favored Pre-proline 0 CA--C 1.534 0.342 0 CA-C-O 120.8 0.333 . . . . 74.53 111.815 -178.66 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 123' ' ' PRO . . . . . 0.535 ' HD3' ' N ' ' B' ' 122' ' ' CYS . 53.7 Cg_endo -101.0 -170.3 0.09 OUTLIER 'Trans proline' 0 N--CA 1.452 -0.952 0 C-N-CA 123.274 2.649 . . . . 65.25 111.668 174.072 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 124' ' ' TYR . . . . . 0.439 ' HE2' ' SG ' ' B' ' 57' ' ' CYS . 4.3 m-30 -83.13 -14.67 53.1 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.795 -0.446 . . . . 65.35 109.795 172.513 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 125' ' ' SER . . . . . 0.462 ' O ' HG22 ' B' ' 128' ' ' THR . 31.3 t 176.41 156.49 0.25 Allowed 'General case' 0 C--N 1.334 -0.066 0 CA-C-N 115.405 -0.816 . . . . 64.23 109.592 178.403 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 126' ' ' ASN . . . . . . . . . . . . . 8.2 p30 -59.91 -31.48 69.86 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.644 0.735 . . . . 74.24 109.137 170.701 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 127' ' ' ALA . . . . . 0.413 ' O ' HG21 ' B' ' 132' ' ' VAL . . . -69.42 6.28 1.1 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 114.91 -1.041 . . . . 74.33 112.441 -178.741 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 128' ' ' THR . . . . . 0.512 HG21 ' NE2' ' B' ' 119' ' ' HIS . 4.5 t -96.12 4.15 52.74 Favored 'General case' 0 CA--C 1.516 -0.356 0 N-CA-C 108.418 -0.956 . . . . 64.4 108.418 -173.177 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 129' ' ' ARG . . . . . 0.53 ' HB3' ' CD2' ' B' ' 119' ' ' HIS . 15.7 ptm180 -135.45 -52.46 0.76 Allowed 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 114.829 -1.078 . . . . 75.21 111.005 178.291 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 130' ' ' ASN . . . . . . . . . . . . . 83.9 m-20 -78.91 -28.1 43.89 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.788 -0.642 . . . . 74.14 112.217 -175.28 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 131' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -98.62 -42.31 7.32 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.999 0.428 . . . . 75.43 111.025 -175.609 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 132' ' ' VAL . . . . . 0.413 HG21 ' O ' ' B' ' 127' ' ' ALA . 67.5 t -100.31 139.37 21.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.862 -0.608 . . . . 62.31 110.487 -173.796 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 133' ' ' ALA . . . . . . . . . . . . . . . -69.26 83.33 0.36 Allowed 'General case' 0 C--O 1.241 0.62 0 CA-C-O 121.89 0.852 . . . . 72.23 111.023 -178.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 134' ' ' VAL . . . . . 0.502 ' HA ' ' O ' ' B' ' 97' ' ' VAL . 22.1 t -114.26 122.87 69.25 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.801 0 CA-C-N 114.29 -1.323 . . . . 64.53 110.07 177.459 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 2.5 tpm_? -94.03 105.47 17.48 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.652 -0.499 . . . . 74.32 109.652 176.449 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 80.7 mt -77.29 101.96 6.51 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-O 121.339 0.59 . . . . 72.41 109.657 175.767 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 137' ' ' VAL . . . . . 0.581 ' O ' ' HA ' ' B' ' 100' ' ' ARG . 0.2 OUTLIER -112.99 114.59 47.41 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 CA-C-N 114.707 -1.133 . . . . 74.23 110.062 -176.979 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 138' ' ' VAL . . . . . 0.522 HG13 HG22 ' B' ' 115' ' ' VAL . 3.5 m -96.81 138.61 21.44 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-N 115.172 -0.922 . . . . 70.52 109.302 -179.035 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 139' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.219 0 CA-C-O 118.548 -0.739 . . . . 71.35 110.87 -175.174 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.4 ptt? . . . . . 0 N--CA 1.485 1.32 0 N-CA-C 110.629 -0.137 . . . . 71.43 110.629 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 55.9 t30 -73.39 77.95 1.38 Allowed 'General case' 0 CA--C 1.532 0.269 0 CA-C-O 121.429 0.633 . . . . 75.52 110.696 176.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.523 HG21 ' HB2' ' A' ' 6' ' ' LYS . 38.2 mm -71.33 136.74 25.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.382 -0.826 . . . . 51.02 111.346 175.916 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.599 ' HG ' ' HD3' ' B' ' 87' ' ' PRO . 89.9 mt -90.5 -47.36 7.75 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.558 -0.746 . . . . 74.21 110.208 175.397 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 50.8 t80 -136.2 130.73 33.6 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.39 -0.368 . . . . 54.43 110.144 178.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.523 ' HB2' HG21 ' A' ' 3' ' ' ILE . 37.6 ttmt -130.02 132.49 46.25 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.939 0.4 . . . . 62.42 110.804 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 10.1 t -124.17 174.02 7.94 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.695 -0.684 . . . . 73.02 109.458 177.681 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -145.6 134.67 22.69 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-O 120.701 0.286 . . . . 64.34 110.998 -177.83 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -130.78 120.36 23.65 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.889 -0.596 . . . . 65.14 109.807 178.655 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.55 ' HA ' ' HA ' ' B' ' 80' ' ' THR . 13.7 t -98.31 146.85 25.26 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.953 -0.388 . . . . 73.43 109.953 -177.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 41.4 p -144.53 114.4 7.31 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.894 0.378 . . . . 71.32 111.551 -177.505 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 6.8 m -89.94 159.22 17.03 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.07 -0.514 . . . . 72.12 110.451 178.674 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -92.27 47.85 2.64 Favored Glycine 0 N--CA 1.454 -0.119 0 N-CA-C 110.985 -0.846 . . . . 62.44 110.985 174.497 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -44.04 -98.27 0.01 OUTLIER Glycine 0 C--N 1.341 0.815 0 N-CA-C 114.973 0.749 . . . . 62.02 114.973 -169.271 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.527 ' HA ' ' NE ' ' A' ' 15' ' ' ARG . 4.2 mmp_? -89.17 -54.87 3.91 Favored 'General case' 0 N--CA 1.464 0.243 0 O-C-N 122.481 -0.423 . . . . 73.04 110.085 178.852 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -123.2 -43.28 2.21 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 108.026 -1.102 . . . . 74.22 108.026 171.472 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.418 ' O ' ' HG3' ' A' ' 29' ' ' LYS . . . -164.78 164.41 36.93 Favored Glycine 0 C--N 1.338 0.671 0 N-CA-C 111.36 -0.696 . . . . 73.12 111.36 163.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.497 ' HA ' ' HA ' ' A' ' 29' ' ' LYS . 38.3 ttm180 -140.04 145.85 38.24 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 109.383 -0.599 . . . . 73.24 109.383 177.34 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.493 ' HB2' ' HB2' ' B' ' 56' ' ' ALA . . . -144.43 123.88 13.14 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.988 0.423 . . . . 71.12 110.22 178.219 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 31.9 m -138.28 111.58 8.01 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.845 -0.616 . . . . 63.53 110.598 -178.335 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.576 ' HB3' ' N ' ' A' ' 26' ' ' LEU . 29.0 t -70.58 107.81 4.05 Favored 'General case' 0 C--O 1.245 0.849 0 N-CA-C 107.138 -1.43 . . . . 62.3 107.138 173.023 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.427 ' C ' ' H ' ' A' ' 24' ' ' GLN . 0.0 OUTLIER -58.52 -21.07 51.07 Favored 'General case' 0 N--CA 1.468 0.446 0 O-C-N 125.359 1.662 . . . . 71.44 112.465 -163.785 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -80.45 16.46 1.32 Allowed 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.672 -0.492 . . . . 73.43 109.672 177.901 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.427 ' H ' ' C ' ' A' ' 22' ' ' HIS . 30.0 mm-40 65.29 22.05 12.05 Favored 'General case' 0 CA--C 1.521 -0.166 0 CA-C-N 115.186 -0.915 . . . . 72.53 110.292 -179.63 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.543 ' HE2' ' HA ' ' A' ' 25' ' ' LYS . 11.5 mmpt? -81.11 -22.82 38.83 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.439 -0.801 . . . . 73.44 109.9 177.154 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.576 ' N ' ' HB3' ' A' ' 21' ' ' SER . 45.9 tp -154.09 142.93 21.03 Favored 'General case' 0 C--O 1.225 -0.234 0 C-N-CA 120.625 -0.43 . . . . 74.42 110.712 177.642 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -155.88 96.8 1.77 Allowed 'General case' 0 C--N 1.327 -0.373 0 O-C-N 123.312 0.383 . . . . 74.13 110.777 174.795 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.409 HG22 HD11 ' A' ' 26' ' ' LEU . 2.6 m -147.75 166.15 5.44 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.226 0 CA-C-O 121.608 0.718 . . . . 62.12 111.577 176.942 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.497 ' HA ' ' HA ' ' A' ' 18' ' ' ARG . 10.9 ttpp -110.67 137.23 48.61 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 114.707 -1.133 . . . . 62.42 109.068 172.641 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.626 ' HB2' ' O ' ' A' ' 44' ' ' THR . 0.0 OUTLIER -123.92 177.25 5.85 Favored 'General case' 0 C--O 1.249 1.07 0 CA-C-O 120.997 0.427 . . . . 64.12 110.796 -178.493 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.522 ' HB3' ' HB3' ' A' ' 41' ' ' ALA . 34.0 p -152.84 130.24 11.36 Favored 'General case' 0 N--CA 1.446 -0.66 0 CA-C-N 115.391 -0.822 . . . . 75.34 111.338 -173.535 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.439 ' HB2' ' HB3' ' B' ' 60' ' ' SER . . . -68.59 162.64 61.15 Favored Pre-proline 0 C--N 1.326 -0.448 0 N-CA-C 109.079 -0.711 . . . . 52.21 109.079 171.517 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_exo -59.09 82.79 0.05 OUTLIER 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 121.56 1.507 . . . . 73.33 111.47 175.458 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.514 ' HG3' ' N ' ' A' ' 40' ' ' GLY . 4.0 tmt_? -56.26 -21.5 24.15 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-O 121.21 0.528 . . . . 50.12 110.109 177.667 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 36.7 mm-40 -54.31 -26.6 30.37 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.171 -0.922 . . . . 75.14 111.654 176.747 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 61.0 mt -113.21 -39.42 4.17 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.115 -0.493 . . . . 63.44 110.585 -173.501 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 172.97 65.22 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 121.155 -0.545 . . . . 72.22 112.125 178.445 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.503 ' N ' ' HA ' ' A' ' 34' ' ' ARG . . . -111.37 -132.69 6.08 Favored Glycine 0 N--CA 1.46 0.292 0 C-N-CA 120.738 -0.744 . . . . 73.44 112.578 178.905 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -134.6 -28.05 1.28 Allowed 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 122.521 0.329 . . . . 63.22 111.178 179.57 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.514 ' N ' ' HG3' ' A' ' 34' ' ' ARG . . . 107.34 96.2 2.44 Favored Glycine 0 C--N 1.336 0.538 0 C-N-CA 120.858 -0.687 . . . . 45.53 113.325 176.79 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.522 ' HB3' ' HB3' ' A' ' 31' ' ' SER . . . -164.62 161.27 20.84 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.698 -0.482 . . . . 44.21 109.698 174.351 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -103.43 66.12 0.87 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.36 0.6 . . . . 71.23 110.452 -178.354 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.451 ' HA3' ' HA ' ' A' ' 30' ' ' LEU . . . -120.15 -152.37 8.95 Favored Glycine 0 N--CA 1.452 -0.274 0 CA-C-N 115.974 -0.557 . . . . 55.55 112.598 -177.632 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.626 ' O ' ' HB2' ' A' ' 30' ' ' LEU . 62.3 m -98.62 140.77 32.34 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 122.562 0.345 . . . . 74.01 110.422 -177.932 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 19.2 m120 -80.39 131.62 61.32 Favored Pre-proline 0 C--N 1.325 -0.49 0 N-CA-C 110.653 -0.128 . . . . 72.33 110.653 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.808 ' HB3' ' SG ' ' B' ' 57' ' ' CYS . 90.7 Cg_exo -47.62 -45.65 22.98 Favored 'Trans proline' 0 C--N 1.351 0.671 0 C-N-CA 123.605 2.87 . . . . 63.04 112.705 178.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.566 ' HG2' HD11 ' A' ' 95' ' ' LEU . 3.7 mp0 -56.29 -50.74 70.53 Favored 'General case' 0 C--O 1.238 0.466 0 CA-C-N 115.458 -0.792 . . . . 62.13 109.78 -178.531 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -65.7 -38.44 89.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 114.844 -1.071 . . . . 72.35 110.122 -178.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.531 HD12 ' HA3' ' B' ' 53' ' ' GLY . 1.9 tm? -60.25 -51.42 69.64 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.226 -0.443 . . . . 71.11 109.884 -177.04 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 55.8 t80 -62.54 -47.82 82.2 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.153 -0.476 . . . . 64.45 110.44 178.082 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.544 ' HB1' ' HB1' ' A' ' 81' ' ' ALA . . . -55.03 -53.25 58.19 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 116.321 -0.4 . . . . 52.03 111.756 -179.314 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.51 -47.07 77.23 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.214 -0.448 . . . . 51.43 110.672 -178.207 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.404 ' HA3' HD12 ' B' ' 49' ' ' LEU . . . -58.57 -38.45 91.33 Favored Glycine 0 C--O 1.227 -0.288 0 CA-C-N 115.857 -0.61 . . . . 45.35 111.89 177.856 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -68.3 -42.09 79.95 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 122.595 0.358 . . . . 71.4 110.139 178.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 50.8 m -61.74 -52.27 64.94 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-O 121.123 0.487 . . . . 50.31 110.208 178.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.523 ' HB1' HD21 ' B' ' 30' ' ' LEU . . . -60.79 -42.51 97.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.771 -0.65 . . . . 72.41 110.582 177.93 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 50.8 t -61.97 -36.5 81.63 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.048 -0.523 . . . . 74.4 110.257 178.426 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 21.9 t80 -66.91 -34.87 78.72 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 109.697 -0.483 . . . . 64.12 109.697 -179.376 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.462 HD21 HG23 ' A' ' 79' ' ' VAL . 96.0 mt -70.78 -34.85 72.23 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 115.964 -0.562 . . . . 74.12 110.594 176.695 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 33.2 t -68.71 -44.61 73.55 Favored 'General case' 0 C--O 1.236 0.362 0 N-CA-C 109.523 -0.547 . . . . 74.4 109.523 175.658 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.443 ' O ' HG23 ' A' ' 65' ' ' VAL . . . -60.08 -50.43 73.73 Favored 'General case' 0 C--O 1.223 -0.324 0 CA-C-N 115.622 -0.717 . . . . 64.15 110.169 178.093 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.94 -32.09 69.29 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 116.233 -0.439 . . . . 61.32 110.968 177.64 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.54 ' HB2' ' HZ2' ' A' ' 63' ' ' LYS . 4.4 ttmp? -65.0 -49.4 70.39 Favored 'General case' 0 C--O 1.235 0.322 0 N-CA-C 109.814 -0.439 . . . . 62.32 109.814 177.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 84.4 t80 -64.31 -43.84 93.43 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 115.812 -0.631 . . . . 70.35 110.729 178.287 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.443 HG23 ' O ' ' A' ' 61' ' ' ALA . 54.3 t -54.7 -49.71 65.97 Favored 'Isoleucine or valine' 0 C--O 1.235 0.298 0 CA-C-N 116.138 -0.483 . . . . 51.41 110.167 177.567 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.501 ' HA ' ' HG3' ' A' ' 71' ' ' GLN . . . -56.29 -32.78 64.9 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.962 -0.563 . . . . 55.45 109.881 176.472 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -71.91 -29.45 67.1 Favored Glycine 0 CA--C 1.518 0.234 0 CA-C-N 115.219 -0.9 . . . . 65.01 112.585 -177.883 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -99.05 -9.54 23.77 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 121.282 0.563 . . . . 73.33 109.858 -179.491 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 24.1 m-80 -103.2 3.02 35.2 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.357 -0.838 . . . . 73.35 110.113 175.424 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.438 ' N ' ' HD3' ' A' ' 70' ' ' LYS . 17.7 mmtp 64.6 19.64 11.88 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 114.868 -1.06 . . . . 70.5 111.422 171.082 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.501 ' HG3' ' HA ' ' A' ' 66' ' ' ALA . 2.9 pt20 -110.68 168.44 9.47 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.11 -0.95 . . . . 65.11 110.063 -179.213 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 3.6 p -127.93 138.05 52.5 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.346 -0.388 . . . . 71.13 110.43 178.14 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.402 ' HA ' ' HD3' ' A' ' 74' ' ' PRO . 94.7 mt -109.12 143.42 27.62 Favored Pre-proline 0 CA--C 1.533 0.323 0 CA-C-N 116.086 -0.507 . . . . 63.13 110.01 -178.787 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.506 ' HB2' ' HG2' ' A' ' 104' ' ' PRO . 31.5 Cg_exo -59.69 131.66 41.29 Favored 'Trans proline' 0 C--N 1.352 0.711 0 C-N-CA 123.048 2.498 . . . . 75.32 112.564 -178.222 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -77.28 0.38 22.3 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 112.054 0.39 . . . . 74.43 112.054 -177.749 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -90.96 1.29 57.16 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.21 0.529 . . . . 72.44 111.172 -178.622 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.411 ' HB ' HD12 ' A' ' 103' ' ' LEU . 9.9 t -74.21 152.55 39.75 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.732 -0.667 . . . . 73.42 112.092 -173.803 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 14.4 m -146.77 149.32 33.15 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 115.577 -0.738 . . . . 65.01 110.164 179.505 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.462 HG23 HD21 ' A' ' 59' ' ' LEU . 69.8 t -126.55 121.65 59.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 N-CA-C 109.564 -0.532 . . . . 73.54 109.564 175.122 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 18.4 m -104.79 111.81 24.69 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.946 0.403 . . . . 61.0 110.626 -178.289 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.544 ' HB1' ' HB1' ' A' ' 51' ' ' ALA . . . -96.37 108.81 21.38 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.913 -0.585 . . . . 75.0 110.07 -179.055 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.434 ' HA ' ' HA ' ' B' ' 8' ' ' ALA . 41.7 tt0 -105.47 107.86 19.07 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.171 -0.468 . . . . 74.0 109.998 -177.351 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.472 HG12 ' HB ' ' A' ' 97' ' ' VAL . 24.7 m -104.85 137.67 33.06 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.329 0 CA-C-O 121.079 0.466 . . . . 74.25 111.642 -174.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -133.85 154.38 21.3 Favored Glycine 0 N--CA 1.444 -0.815 0 N-CA-C 110.78 -0.928 . . . . 64.22 110.78 174.342 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.429 ' CG2' ' HB3' ' B' ' 5' ' ' TYR . 0.0 OUTLIER -137.37 132.54 45.85 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 N-CA-C 109.603 -0.517 . . . . 71.32 109.603 -179.826 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -150.74 169.55 30.56 Favored Glycine 0 CA--C 1.517 0.195 0 CA-C-N 115.635 -0.711 . . . . 64.2 111.496 178.203 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.656 ' HD3' ' HG ' ' B' ' 4' ' ' LEU . 3.4 Cg_exo -78.97 120.16 4.55 Favored 'Trans proline' 0 N--CA 1.46 -0.498 0 C-N-CA 122.757 2.305 . . . . 75.13 111.181 -178.403 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' ASN . . . . . 0.471 ' HB3' ' HB2' ' A' ' 94' ' ' ALA . 32.7 p30 -84.87 168.92 14.62 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.997 0.427 . . . . 63.43 111.131 -177.617 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -55.74 -27.74 52.2 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 115.346 -0.843 . . . . 74.31 111.131 178.407 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -69.34 -27.42 65.33 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 116.05 -0.523 . . . . 62.35 110.832 -177.374 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.12 15.84 20.56 Favored Glycine 0 C--O 1.233 0.078 0 C-N-CA 121.125 -0.56 . . . . 52.42 112.298 179.197 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -121.92 -165.39 12.52 Favored Glycine 0 N--CA 1.452 -0.278 0 N-CA-C 111.254 -0.739 . . . . 74.12 111.254 176.766 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 41.4 m-85 -98.05 129.38 44.9 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.905 0.383 . . . . 72.25 110.07 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.471 ' HB2' ' HB3' ' A' ' 88' ' ' ASN . . . -116.95 134.38 54.83 Favored 'General case' 0 C--O 1.238 0.496 0 CA-C-N 115.827 -0.624 . . . . 73.43 110.252 -178.435 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.566 HD11 ' HG2' ' A' ' 47' ' ' GLU . 4.4 mm? -100.95 120.36 40.06 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.572 -0.74 . . . . 75.45 110.685 -179.335 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -110.03 110.34 21.22 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 108.406 -0.961 . . . . 62.1 108.406 175.314 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.472 ' HB ' HG12 ' A' ' 83' ' ' VAL . 2.1 p -119.97 111.95 34.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 121.47 0.652 . . . . 41.42 111.648 -175.743 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.468 ' HA ' ' HB2' ' A' ' 135' ' ' ARG . 51.0 mt-10 -84.99 105.97 16.14 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.333 -0.849 . . . . 51.52 109.205 176.462 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 23.9 tp -93.65 109.47 21.11 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.562 -0.533 . . . . 73.33 109.562 -177.561 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.597 ' HA ' ' O ' ' A' ' 137' ' ' VAL . 49.6 mtt-85 -99.46 116.72 32.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.034 -0.53 . . . . 73.43 110.726 -173.335 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 41.9 t -103.72 99.77 9.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 115.938 -0.573 . . . . 72.23 110.339 -176.839 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -99.12 101.66 13.08 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-O 120.876 0.369 . . . . 73.1 110.411 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.797 HD23 HD22 ' A' ' 106' ' ' LEU . 32.7 tp -115.71 117.46 40.04 Favored Pre-proline 0 C--N 1.328 -0.368 0 N-CA-C 109.3 -0.63 . . . . 73.31 109.3 179.131 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 104' ' ' PRO . . . . . 0.555 ' HD2' HD12 ' A' ' 103' ' ' LEU . 57.4 Cg_endo -71.79 150.7 56.39 Favored 'Trans proline' 0 C--O 1.235 0.327 0 C-N-CA 122.764 2.309 . . . . 73.52 112.075 -177.303 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 73.56 15.13 79.28 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.688 -0.767 . . . . 54.45 111.94 -177.824 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.797 HD22 HD23 ' A' ' 103' ' ' LEU . 41.8 tp -129.9 143.04 50.6 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 122.706 0.402 . . . . 65.03 110.919 -176.798 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 107' ' ' ASP . . . . . 0.427 ' HB3' ' H ' ' A' ' 110' ' ' ALA . 1.6 t70 -81.06 165.54 21.56 Favored 'General case' 0 CA--C 1.511 -0.522 0 CA-C-N 116.08 -0.509 . . . . 72.42 110.835 177.474 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.454 ' O ' ' HG3' ' A' ' 112' ' ' LYS . . . -68.77 -46.47 68.69 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.723 -0.671 . . . . 74.35 109.763 168.463 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -59.41 -41.5 89.64 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-N 115.251 -0.886 . . . . 64.13 111.019 -176.609 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 0.554 ' O ' HG22 ' A' ' 113' ' ' THR . . . -76.64 -43.44 38.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.135 -0.484 . . . . 73.25 109.986 177.691 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -54.53 -34.9 62.57 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 116.054 -0.521 . . . . 54.13 111.369 178.421 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' LYS . . . . . 0.454 ' HG3' ' O ' ' A' ' 108' ' ' ALA . 10.5 mtpm? -54.63 -49.57 70.2 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.392 -0.367 . . . . 74.23 111.031 179.58 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 113' ' ' THR . . . . . 0.554 HG22 ' O ' ' A' ' 110' ' ' ALA . 5.8 t -74.71 -40.07 61.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.851 0.357 . . . . 74.22 110.308 -178.516 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.445 ' HG ' ' O ' ' A' ' 110' ' ' ALA . 42.6 mt -61.97 -49.05 77.66 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.211 -0.45 . . . . 61.01 111.123 -176.836 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 93.7 t -66.11 -35.68 75.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 121.018 0.437 . . . . 72.22 110.074 178.818 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -60.41 -60.54 3.65 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 115.636 -0.711 . . . . 63.5 110.401 179.446 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 117' ' ' ARG . . . . . 0.528 ' HG2' ' O ' ' A' ' 113' ' ' THR . 12.1 ptm180 -62.91 -38.05 89.41 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.955 -0.566 . . . . 65.24 110.829 -177.552 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -59.34 -51.11 71.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.994 -0.548 . . . . 63.41 110.675 178.914 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 37.0 t-80 -68.13 -21.56 64.92 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 116.37 -0.377 . . . . 74.13 110.512 -179.262 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 17.3 m170 -71.53 -54.57 10.11 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 120.948 0.404 . . . . 75.14 110.653 177.293 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 34.3 m -75.04 -29.51 22.15 Favored 'Isoleucine or valine' 0 C--O 1.235 0.306 0 CA-C-N 115.872 -0.604 . . . . 74.54 111.743 -173.516 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 14.1 p -145.82 88.89 6.3 Favored Pre-proline 0 CA--C 1.532 0.264 0 CA-C-O 120.836 0.351 . . . . 72.12 111.044 -179.743 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 123' ' ' PRO . . . . . 0.499 ' O ' ' HB2' ' A' ' 124' ' ' TYR . 17.6 Cg_endo -91.83 -78.19 0.0 OUTLIER 'Trans proline' 0 N--CA 1.453 -0.868 0 C-N-CA 122.888 2.392 . . . . 74.45 111.798 174.427 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 124' ' ' TYR . . . . . 0.499 ' HB2' ' O ' ' A' ' 123' ' ' PRO . 0.3 OUTLIER 165.14 -34.44 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 106.609 -1.626 . . . . 65.44 106.609 177.658 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 125' ' ' SER . . . . . 0.54 ' O ' HG22 ' A' ' 128' ' ' THR . 42.1 p -166.1 155.08 11.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 113.722 -1.581 . . . . 62.44 107.901 171.847 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 16.1 m120 -63.73 -31.98 73.32 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.867 0.842 . . . . 73.42 109.417 178.238 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 127' ' ' ALA . . . . . 0.529 ' O ' ' HB3' ' A' ' 131' ' ' ASN . . . -80.54 6.7 11.74 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 114.859 -1.064 . . . . 54.1 112.279 -176.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 128' ' ' THR . . . . . 0.54 HG22 ' O ' ' A' ' 125' ' ' SER . 5.1 t -89.06 -5.0 58.19 Favored 'General case' 0 CA--C 1.514 -0.414 0 N-CA-C 107.807 -1.183 . . . . 73.21 107.807 -175.848 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 7.4 ptm180 -129.94 -40.08 1.36 Allowed 'General case' 0 N--CA 1.444 -0.766 0 CA-C-N 114.066 -1.424 . . . . 72.04 109.622 179.276 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 88.3 m-20 -78.71 -26.16 44.79 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.336 -0.847 . . . . 71.52 111.592 -177.366 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 131' ' ' ASN . . . . . 0.529 ' HB3' ' O ' ' A' ' 127' ' ' ALA . 67.0 t30 -103.97 -40.09 6.34 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 121.269 0.557 . . . . 72.12 109.563 178.871 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 20.9 t -98.16 121.52 48.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 115.306 -0.861 . . . . 70.22 109.876 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -76.16 98.65 4.45 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.086 0.469 . . . . 45.42 111.012 -176.765 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 134' ' ' VAL . . . . . 0.403 HG22 ' CG1' ' A' ' 97' ' ' VAL . 9.8 t -110.39 133.52 55.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.834 -0.621 . . . . 75.02 111.014 -179.718 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 135' ' ' ARG . . . . . 0.468 ' HB2' ' HA ' ' A' ' 98' ' ' GLU . 18.7 mmt180 -96.47 106.84 19.15 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.645 -0.872 . . . . 72.41 108.645 173.734 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 28.4 mt -77.27 101.56 6.31 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-O 121.445 0.641 . . . . 50.04 110.192 177.387 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 137' ' ' VAL . . . . . 0.597 ' O ' ' HA ' ' A' ' 100' ' ' ARG . 0.2 OUTLIER -113.69 116.22 51.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.1 -0.955 . . . . 74.42 109.925 -177.901 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 4.0 m -92.67 139.09 18.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.712 -0.676 . . . . 53.11 110.493 -177.637 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.316 -0.886 0 CA-C-N 115.452 -0.795 . . . . 73.13 110.566 -176.34 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 28.1 ptm . . . . . 0 C--O 1.233 0.218 0 CA-C-O 120.889 0.376 . . . . 72.42 110.69 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 42.1 t30 -97.72 86.01 3.7 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.885 -0.598 . . . . 61.35 109.862 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 3' ' ' ILE . . . . . 0.516 HG21 ' HB2' ' B' ' 6' ' ' LYS . 32.1 mm -67.43 112.29 2.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.055 -0.52 . . . . 72.42 111.319 177.728 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.656 ' HG ' ' HD3' ' A' ' 87' ' ' PRO . 80.7 mt -76.99 -45.42 27.44 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.173 -0.921 . . . . 75.25 110.324 179.235 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 5' ' ' TYR . . . . . 0.429 ' HB3' ' CG2' ' A' ' 85' ' ' ILE . 2.6 t80 -132.12 125.48 31.42 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.616 -0.72 . . . . 75.45 109.57 -176.529 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 6' ' ' LYS . . . . . 0.516 ' HB2' HG21 ' B' ' 3' ' ' ILE . 34.0 ttmt -136.8 142.45 42.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.924 0.392 . . . . 65.01 110.771 176.226 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 7' ' ' THR . . . . . 0.402 ' CB ' ' HZ1' ' B' ' 25' ' ' LYS . 8.5 t -144.85 140.65 28.52 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.587 -0.733 . . . . 72.52 109.372 177.112 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 8' ' ' ALA . . . . . 0.434 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . . . -107.26 135.23 49.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.882 0.373 . . . . 64.22 110.429 -178.658 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 9' ' ' ALA . . . . . 0.433 ' HA ' ' H ' ' B' ' 22' ' ' HIS . . . -123.19 148.08 46.17 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.98 -0.554 . . . . 31.45 109.757 178.544 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 9.3 t -124.49 129.76 51.23 Favored 'General case' 0 N--CA 1.44 -0.936 0 N-CA-C 107.894 -1.15 . . . . 64.31 107.894 -177.3 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 50.2 m -126.47 113.26 16.59 Favored 'General case' 0 C--N 1.311 -1.1 0 CA-C-N 115.815 -0.629 . . . . 74.14 110.134 -175.487 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 3.4 m -99.07 158.15 15.86 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.827 -0.624 . . . . 53.42 111.19 -175.093 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -85.51 76.58 2.17 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.883 -0.675 . . . . 71.12 111.616 175.42 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.48 -130.22 0.01 OUTLIER Glycine 0 C--N 1.337 0.584 0 C-N-CA 121.364 -0.446 . . . . 73.4 112.433 175.757 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 68.2 mtp85 -60.4 -54.3 47.21 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 117.333 0.567 . . . . 65.14 109.544 174.408 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 16' ' ' ASP . . . . . 0.531 ' HB3' ' HA ' ' B' ' 31' ' ' SER . 21.6 t0 -125.7 -42.94 1.89 Allowed 'General case' 0 C--O 1.237 0.426 0 CA-C-N 115.946 -0.57 . . . . 65.33 109.839 172.188 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -160.5 157.46 28.86 Favored Glycine 0 N--CA 1.446 -0.649 0 C-N-CA 120.013 -1.089 . . . . 74.22 112.855 171.595 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 18' ' ' ARG . . . . . 0.495 ' HA ' ' HA ' ' B' ' 29' ' ' LYS . 17.0 ttt85 -135.25 147.02 49.14 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 108.815 -0.809 . . . . 74.4 108.815 175.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -143.66 123.8 13.69 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.897 -0.409 . . . . 64.21 109.897 -177.553 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 20' ' ' THR . . . . . 0.451 HG23 ' O ' ' B' ' 26' ' ' LEU . 66.8 m -140.75 119.88 12.86 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.384 -0.371 . . . . 75.11 111.042 -178.283 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 21' ' ' SER . . . . . 0.521 ' HB2' ' HB3' ' B' ' 26' ' ' LEU . 11.0 t -71.08 107.03 3.94 Favored 'General case' 0 C--O 1.246 0.871 0 N-CA-C 105.417 -2.068 . . . . 74.21 105.417 171.794 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 22' ' ' HIS . . . . . 0.433 ' H ' ' HA ' ' B' ' 9' ' ' ALA . 20.6 t-80 -61.57 -26.17 67.78 Favored 'General case' 0 CA--C 1.517 -0.293 0 O-C-N 125.529 1.768 . . . . 73.12 112.11 -161.001 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 34.7 p-10 -80.77 21.43 0.67 Allowed 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.41 0.624 . . . . 63.54 110.141 176.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 24' ' ' GLN . . . . . 0.402 ' H ' ' C ' ' B' ' 22' ' ' HIS . 36.3 mm-40 72.04 25.21 3.06 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 114.712 -1.131 . . . . 71.43 111.911 170.23 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 25' ' ' LYS . . . . . 0.402 ' HZ1' ' CB ' ' B' ' 7' ' ' THR . 50.2 mtmt -90.27 -22.46 21.59 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.465 -0.334 . . . . 41.25 111.118 175.508 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 26' ' ' LEU . . . . . 0.521 ' HB3' ' HB2' ' B' ' 21' ' ' SER . 38.8 tp -148.95 143.67 26.32 Favored 'General case' 0 C--O 1.221 -0.43 0 C-N-CA 120.455 -0.498 . . . . 71.52 110.566 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -157.95 99.89 1.7 Allowed 'General case' 0 C--N 1.33 -0.27 0 O-C-N 123.59 0.556 . . . . 53.33 110.542 178.094 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 2.7 m -149.68 177.95 0.72 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.376 0 CA-C-O 121.374 0.606 . . . . 74.12 111.629 176.662 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 29' ' ' LYS . . . . . 0.495 ' HA ' ' HA ' ' B' ' 18' ' ' ARG . 10.2 ttpt -133.25 146.65 51.62 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 114.932 -1.031 . . . . 64.31 109.204 176.249 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 30' ' ' LEU . . . . . 0.601 ' HB2' ' O ' ' B' ' 44' ' ' THR . 0.0 OUTLIER -129.59 163.66 25.53 Favored 'General case' 0 C--O 1.251 1.14 0 CA-C-O 121.023 0.439 . . . . 72.32 110.506 178.722 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 31' ' ' SER . . . . . 0.531 ' HA ' ' HB3' ' B' ' 16' ' ' ASP . 57.8 p -170.89 128.27 0.75 Allowed 'General case' 0 N--CA 1.448 -0.534 0 CA-C-N 115.547 -0.752 . . . . 62.35 111.365 -174.237 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 32' ' ' ALA . . . . . 0.404 ' HA ' ' HD2' ' B' ' 33' ' ' PRO . . . -74.12 117.52 62.18 Favored Pre-proline 0 C--O 1.238 0.466 0 CA-C-N 116.221 -0.445 . . . . 75.13 110.007 173.562 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 33' ' ' PRO . . . . . 0.404 ' HD2' ' HA ' ' B' ' 32' ' ' ALA . 22.4 Cg_endo -60.74 149.18 89.09 Favored 'Trans proline' 0 C--N 1.348 0.518 0 C-N-CA 122.537 2.158 . . . . 71.3 111.688 179.367 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 16.2 mtm180 -75.06 67.83 1.79 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.129 0.49 . . . . 71.43 111.454 -178.773 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 68.7 mm-40 -100.05 -46.7 5.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.841 -0.618 . . . . 72.42 110.277 177.042 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 65.3 mt -115.52 5.35 14.41 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 115.917 -0.583 . . . . 63.52 111.09 -176.885 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 114.52 59.26 0.37 Allowed Glycine 0 N--CA 1.454 -0.133 0 N-CA-C 111.18 -0.768 . . . . 51.22 111.18 -172.452 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -100.21 -136.17 9.23 Favored Glycine 0 C--N 1.335 0.522 0 C-N-CA 121.159 -0.543 . . . . 64.12 112.077 -177.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -110.36 -49.56 3.05 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.898 0.38 . . . . 71.25 111.269 -176.001 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 120.23 79.25 0.57 Allowed Glycine 0 C--N 1.332 0.353 0 C-N-CA 121.092 -0.575 . . . . 53.13 112.02 -178.171 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -177.67 172.76 1.71 Allowed 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 122.756 0.422 . . . . 45.11 110.067 178.651 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -116.41 26.1 10.14 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.387 -0.37 . . . . 74.14 111.318 -177.493 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 43' ' ' GLY . . . . . 0.44 ' O ' ' HD3' ' A' ' 25' ' ' LYS . . . -68.92 -138.89 0.08 OUTLIER Glycine 0 CA--C 1.523 0.567 0 C-N-CA 121.373 -0.441 . . . . 72.12 112.82 179.46 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 44' ' ' THR . . . . . 0.601 ' O ' ' HB2' ' B' ' 30' ' ' LEU . 25.5 m -109.06 139.89 43.33 Favored 'General case' 0 C--N 1.331 -0.229 0 O-C-N 122.412 -0.463 . . . . 35.03 109.89 178.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 45' ' ' ASN . . . . . 0.53 ' HB2' ' HB3' ' B' ' 48' ' ' GLN . 1.5 m-20 -76.74 144.78 73.65 Favored Pre-proline 0 C--N 1.324 -0.52 0 N-CA-C 109.833 -0.432 . . . . 71.14 109.833 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 46' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_exo -57.91 -61.31 0.29 Allowed 'Trans proline' 0 C--N 1.352 0.762 0 C-N-CA 123.03 2.487 . . . . 54.41 113.46 -174.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 47' ' ' GLU . . . . . 0.414 ' CD ' ' H ' ' B' ' 47' ' ' GLU . 0.0 OUTLIER -65.48 -30.74 71.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.31 0.576 . . . . 73.03 109.668 -177.394 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 48' ' ' GLN . . . . . 0.53 ' HB3' ' HB2' ' B' ' 45' ' ' ASN . 29.2 tt0 -63.33 -39.04 93.47 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.042 -0.981 . . . . 65.22 110.212 174.443 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 49' ' ' LEU . . . . . 0.459 HD23 HG21 ' B' ' 44' ' ' THR . 3.1 tm? -66.5 -48.93 68.25 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 115.935 -0.575 . . . . 73.15 109.501 179.471 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 42.0 t80 -57.72 -43.67 85.41 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 116.481 -0.327 . . . . 74.53 110.487 176.27 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.67 -53.13 61.19 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.358 -0.383 . . . . 63.22 111.108 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -57.95 -49.51 76.53 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-N 116.141 -0.481 . . . . 74.31 110.451 -179.518 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 53' ' ' GLY . . . . . 0.531 ' HA3' HD12 ' A' ' 49' ' ' LEU . . . -59.88 -56.07 26.86 Favored Glycine 0 N--CA 1.447 -0.593 0 CA-C-N 115.277 -0.874 . . . . 73.22 112.1 179.704 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 54' ' ' TYR . . . . . 0.408 ' CE2' HG21 ' B' ' 128' ' ' THR . 2.3 t80 -54.43 -48.11 72.05 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 122.73 0.412 . . . . 73.14 111.025 -179.48 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 55' ' ' SER . . . . . 0.526 ' OG ' ' HB2' ' B' ' 81' ' ' ALA . 48.9 m -58.18 -50.11 74.68 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 110.268 -0.271 . . . . 71.55 110.268 -179.872 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 56' ' ' ALA . . . . . 0.552 ' HB1' HD21 ' A' ' 30' ' ' LEU . . . -58.77 -39.73 81.88 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-O 121.223 0.535 . . . . 72.32 110.569 176.93 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 57' ' ' CYS . . . . . 0.808 ' SG ' ' HB3' ' A' ' 46' ' ' PRO . 65.7 m -62.94 -36.23 82.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.356 -0.838 . . . . 72.4 109.976 178.482 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 30.5 t80 -61.89 -34.07 75.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.83 -0.623 . . . . 52.32 110.243 -177.511 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -67.05 -44.27 80.6 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.187 -0.46 . . . . 64.41 110.64 177.354 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 60' ' ' SER . . . . . 0.439 ' HB3' ' HB2' ' A' ' 32' ' ' ALA . 27.2 m -66.51 -40.92 89.47 Favored 'General case' 0 C--O 1.237 0.419 0 CA-C-O 121.272 0.558 . . . . 73.23 110.278 177.552 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 61' ' ' ALA . . . . . 0.446 ' O ' HG23 ' B' ' 65' ' ' VAL . . . -58.61 -45.74 88.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.662 -0.699 . . . . 44.1 109.778 177.468 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 62' ' ' MET . . . . . 0.528 ' HA ' ' HB ' ' B' ' 65' ' ' VAL . 30.1 mtp -72.84 -25.88 61.28 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.123 -0.49 . . . . 71.0 110.866 177.166 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 11.9 tppt? -59.77 -40.4 88.06 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 108.416 -0.957 . . . . 72.03 108.416 174.834 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 69.2 t80 -75.7 -48.46 21.86 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 115.192 -0.913 . . . . 73.11 111.183 174.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 65' ' ' VAL . . . . . 0.528 ' HB ' ' HA ' ' B' ' 62' ' ' MET . 41.0 t -54.68 -47.06 73.57 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.466 0 CA-C-O 120.934 0.397 . . . . 75.05 111.209 -177.166 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -58.0 -32.45 67.92 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.289 -0.414 . . . . 74.13 110.184 179.056 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -70.99 -25.41 75.83 Favored Glycine 0 C--N 1.332 0.336 0 CA-C-N 115.589 -0.732 . . . . 75.04 112.337 -178.534 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 68' ' ' GLN . . . . . 0.403 ' HG3' HD22 ' B' ' 69' ' ' ASN . 3.2 pt20 -98.81 -15.16 19.36 Favored 'General case' 0 C--N 1.332 -0.174 0 N-CA-C 109.624 -0.51 . . . . 64.5 109.624 178.607 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 69' ' ' ASN . . . . . 0.403 HD22 ' HG3' ' B' ' 68' ' ' GLN . 0.9 OUTLIER -94.89 -1.05 53.4 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 115.631 -0.713 . . . . 65.21 110.783 178.168 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 70' ' ' LYS . . . . . 0.444 ' HD3' ' N ' ' B' ' 70' ' ' LYS . 21.3 mmtm 65.18 22.44 12.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.507 -0.77 . . . . 73.12 110.85 174.883 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -114.57 165.13 13.1 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.926 -0.579 . . . . 74.24 110.256 -178.782 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 17.5 p -124.92 130.41 52.31 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.968 0.413 . . . . 74.12 110.577 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -109.38 142.93 26.72 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.009 -0.541 . . . . 75.15 110.754 178.179 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 74' ' ' PRO . . . . . 0.519 ' O ' HG22 ' B' ' 77' ' ' THR . 26.4 Cg_endo -61.38 150.75 83.56 Favored 'Trans proline' 0 C--N 1.348 0.522 0 C-N-CA 123.287 2.658 . . . . 62.01 112.293 177.789 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -77.2 -21.47 53.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.143 0.497 . . . . 71.53 110.421 174.529 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -80.97 5.29 16.76 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 115.543 -0.753 . . . . 60.22 111.553 -176.111 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 77' ' ' THR . . . . . 0.519 HG22 ' O ' ' B' ' 74' ' ' PRO . 10.3 t -79.39 142.23 36.16 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 120.864 0.364 . . . . 73.25 110.44 179.425 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 33.4 m -140.53 149.77 42.86 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.119 -0.491 . . . . 71.23 110.783 -176.155 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 77.6 t -126.93 125.68 67.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 N-CA-C 109.225 -0.658 . . . . 54.24 109.225 176.649 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 80' ' ' THR . . . . . 0.55 ' HA ' ' HA ' ' A' ' 10' ' ' THR . 22.3 m -110.83 115.27 29.23 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.327 -0.397 . . . . 72.42 110.594 -178.598 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 81' ' ' ALA . . . . . 0.526 ' HB2' ' OG ' ' B' ' 55' ' ' SER . . . -93.24 107.72 19.48 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.09 -0.505 . . . . 73.43 110.293 179.029 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -100.43 109.35 21.5 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.6 -0.518 . . . . 71.23 109.6 178.014 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 45.1 t -104.05 138.77 27.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 71.44 110.957 -173.338 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 84' ' ' GLY . . . . . 0.433 ' HA2' ' HA ' ' A' ' 6' ' ' LYS . . . -129.09 147.3 17.65 Favored Glycine 0 N--CA 1.44 -1.034 0 N-CA-C 111.075 -0.81 . . . . 52.45 111.075 173.706 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -124.66 129.75 73.6 Favored 'Isoleucine or valine' 0 C--O 1.244 0.789 0 N-CA-C 108.852 -0.795 . . . . 73.1 108.852 179.396 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 86' ' ' GLY . . . . . 0.478 ' HA2' ' HG ' ' A' ' 4' ' ' LEU . . . -148.56 169.9 29.09 Favored Glycine 0 N--CA 1.45 -0.406 0 N-CA-C 110.674 -0.97 . . . . 52.3 110.674 -178.318 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 87' ' ' PRO . . . . . 0.599 ' HD3' ' HG ' ' A' ' 4' ' ' LEU . 84.9 Cg_endo -81.66 152.52 17.36 Favored 'Trans proline' 0 N--CA 1.457 -0.635 0 C-N-CA 122.305 2.003 . . . . 61.3 111.253 -177.927 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 88' ' ' ASN . . . . . . . . . . . . . 37.0 p30 -114.79 161.73 17.8 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.721 -0.474 . . . . 72.3 109.721 175.696 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -69.38 -10.1 56.45 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.415 -0.357 . . . . 65.22 111.158 -178.063 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -69.25 -22.5 63.84 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.054 0.454 . . . . 74.05 110.096 172.121 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.16 2.79 45.06 Favored Glycine 0 C--N 1.33 0.222 0 CA-C-N 115.964 -0.562 . . . . 72.2 112.591 177.338 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . -113.01 -160.24 14.23 Favored Glycine 0 N--CA 1.452 -0.237 0 N-CA-C 111.56 -0.616 . . . . 70.13 111.56 178.202 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 93' ' ' PHE . . . . . . . . . . . . . 35.7 m-85 -97.83 158.09 15.71 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-O 121.056 0.455 . . . . 73.12 110.208 177.858 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -141.65 133.38 27.15 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.614 -0.721 . . . . 62.21 109.46 -177.11 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -99.75 134.99 41.84 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.88 -0.6 . . . . 74.21 110.478 -179.167 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 96' ' ' ASP . . . . . 0.425 ' HB3' HD11 ' A' ' 3' ' ' ILE . 11.6 t70 -133.03 110.1 10.0 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 115.088 -0.96 . . . . 73.53 108.699 178.099 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 97' ' ' VAL . . . . . 0.812 HG13 HG22 ' B' ' 134' ' ' VAL . 0.9 OUTLIER -120.8 119.78 60.53 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-O 121.662 0.744 . . . . 65.34 111.358 -175.244 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -92.69 112.56 24.56 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 114.881 -1.054 . . . . 74.42 108.983 178.404 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 99' ' ' LEU . . . . . 0.4 ' HB3' HD23 ' B' ' 136' ' ' LEU . 15.8 tp -93.84 108.23 20.04 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.185 -0.672 . . . . 61.12 109.185 -176.646 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 100' ' ' ARG . . . . . 0.575 ' HA ' ' O ' ' B' ' 137' ' ' VAL . 0.1 OUTLIER -99.13 111.09 23.57 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.532 -0.544 . . . . 64.11 109.532 -171.183 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 101' ' ' VAL . . . . . 0.433 HG11 HG22 ' B' ' 115' ' ' VAL . 74.1 t -100.95 114.6 40.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 60.12 111.197 -171.56 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -109.24 101.42 10.44 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 120.893 0.377 . . . . 53.32 110.661 177.288 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 103' ' ' LEU . . . . . 0.862 HD23 HD22 ' B' ' 106' ' ' LEU . 41.0 tp -111.26 115.64 52.09 Favored Pre-proline 0 C--N 1.329 -0.299 0 N-CA-C 108.249 -1.019 . . . . 72.24 108.249 174.411 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 104' ' ' PRO . . . . . 0.562 ' HD2' HD12 ' B' ' 103' ' ' LEU . 40.9 Cg_endo -70.6 142.6 44.63 Favored 'Trans proline' 0 N--CA 1.461 -0.407 0 C-N-CA 122.311 2.007 . . . . 74.24 112.835 -172.469 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 105' ' ' GLY . . . . . . . . . . . . . . . 79.68 -0.21 82.46 Favored Glycine 0 CA--C 1.519 0.339 0 CA-C-N 115.114 -0.948 . . . . 72.34 112.559 -177.47 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 106' ' ' LEU . . . . . 0.862 HD22 HD23 ' B' ' 103' ' ' LEU . 29.3 tp -103.03 136.77 42.23 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.288 0.566 . . . . 60.53 111.377 -176.335 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -77.86 153.72 32.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 114.987 -1.006 . . . . 63.12 110.608 176.542 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -68.51 -43.56 76.56 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.788 0.327 . . . . 34.32 111.088 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -57.54 -42.7 83.47 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 121.156 0.503 . . . . 64.51 110.7 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -74.67 -38.94 62.29 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 115.714 -0.676 . . . . 72.03 110.341 177.916 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 111' ' ' ALA . . . . . 0.447 ' HA ' HD21 ' B' ' 106' ' ' LEU . . . -56.55 -37.31 70.36 Favored 'General case' 0 CA--C 1.519 -0.222 0 CA-C-N 115.641 -0.709 . . . . 64.14 110.745 -179.884 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 112' ' ' LYS . . . . . . . . . . . . . 56.2 mmtt -50.97 -46.94 61.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.956 -0.566 . . . . 74.45 111.003 177.554 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 113' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -82.16 -36.27 27.55 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 116.423 -0.353 . . . . 72.03 111.172 -175.05 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 52.3 mt -66.83 -46.15 76.02 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 120.828 0.347 . . . . 70.23 110.332 -178.829 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 115' ' ' VAL . . . . . 0.433 HG22 HG11 ' B' ' 101' ' ' VAL . 86.9 t -64.16 -38.66 83.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.963 -0.562 . . . . 63.55 110.122 176.926 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -59.38 -53.65 55.7 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 116.414 -0.357 . . . . 75.43 110.779 -179.158 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 117' ' ' ARG . . . . . . . . . . . . . 7.2 ptm180 -67.98 -41.92 81.59 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 116.093 -0.503 . . . . 70.2 110.771 -176.656 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -62.29 -39.06 91.73 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 121.425 0.631 . . . . 61.11 109.966 177.562 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 119' ' ' HIS . . . . . 0.601 ' HD1' ' HD2' ' B' ' 129' ' ' ARG . 20.9 t-80 -83.99 6.85 20.4 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 115.38 -0.827 . . . . 74.31 110.619 179.423 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 15.3 t-80 -108.87 -37.78 5.77 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 116.254 -0.43 . . . . 61.52 111.087 177.49 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 34.8 m -85.11 -33.75 8.24 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.282 0 N-CA-C 112.047 0.388 . . . . 63.42 112.047 -176.304 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 122' ' ' CYS . . . . . . . . . . . . . 63.8 m -77.13 142.82 68.95 Favored Pre-proline 0 C--O 1.239 0.508 0 CA-C-N 116.707 -0.224 . . . . 74.53 111.567 -176.532 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 123' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_exo -58.51 165.94 6.97 Favored 'Trans proline' 0 C--N 1.356 0.928 0 C-N-CA 122.891 2.394 . . . . 65.25 111.479 174.472 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 124' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 . . . . . 0 N--CA 1.476 0.838 0 C-N-CA 123.249 0.62 . . . . 65.35 110.313 -174.127 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 128' ' ' THR . . . . . 0.588 ' HA ' ' HB ' ' B' ' 132' ' ' VAL . 1.3 t . . . . . 0 N--CA 1.449 -0.478 0 CA-C-O 121.375 0.607 . . . . 55.14 109.497 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 129' ' ' ARG . . . . . 0.601 ' HD2' ' HD1' ' B' ' 119' ' ' HIS . 17.7 ptm180 -114.65 -55.07 2.52 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-N 115.715 -0.675 . . . . 75.21 110.126 -178.235 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 130' ' ' ASN . . . . . 0.425 ' N ' ' HG3' ' B' ' 129' ' ' ARG . 88.4 m-20 -79.36 -25.85 42.17 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.869 -0.605 . . . . 74.14 111.699 -177.786 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 131' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -104.45 -41.79 5.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.249 -0.432 . . . . 75.43 110.632 -178.008 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 132' ' ' VAL . . . . . 0.588 ' HB ' ' HA ' ' B' ' 128' ' ' THR . 46.4 t -112.29 157.8 12.93 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.411 0 CA-C-N 115.838 -0.619 . . . . 52.13 110.486 -173.374 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 133' ' ' ALA . . . . . . . . . . . . . . . -87.83 81.61 7.53 Favored 'General case' 0 C--O 1.239 0.544 0 CA-C-O 121.753 0.787 . . . . 72.23 112.456 -176.378 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 134' ' ' VAL . . . . . 0.812 HG22 HG13 ' B' ' 97' ' ' VAL . 90.7 t -110.69 118.57 57.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 114.764 -1.107 . . . . 61.1 109.606 168.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 5.6 tmm_? -90.69 107.57 19.26 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.348 -0.612 . . . . 74.32 109.348 177.696 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 136' ' ' LEU . . . . . 0.433 HD11 ' CG ' ' B' ' 119' ' ' HIS . 38.6 mt -72.26 109.18 5.83 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.028 -0.533 . . . . 72.41 110.411 179.724 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 137' ' ' VAL . . . . . 0.575 ' O ' ' HA ' ' B' ' 100' ' ' ARG . 0.2 OUTLIER -116.02 114.63 46.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 115.319 -0.855 . . . . 72.22 109.879 -179.912 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 138' ' ' VAL . . . . . . . . . . . . . 4.2 m -89.31 138.52 19.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 115.582 -0.735 . . . . 70.52 109.518 -177.616 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 139' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.312 -1.059 0 CA-C-N 115.177 -0.919 . . . . 71.35 111.689 -174.165 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.444 ' HE3' HD13 ' A' ' 3' ' ' ILE . 15.5 ptt? . . . . . 0 N--CA 1.484 1.262 0 CA-C-O 120.495 0.188 . . . . 71.43 110.512 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 2' ' ' ASN . . . . . 0.516 ' O ' ' HD2' ' B' ' 87' ' ' PRO . 38.5 t30 -73.29 79.46 1.33 Allowed 'General case' 0 CA--C 1.532 0.281 0 CA-C-O 121.254 0.55 . . . . 75.52 110.362 175.805 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.541 HG21 ' HB2' ' A' ' 6' ' ' LYS . 31.7 mm -74.61 137.9 22.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.629 -0.714 . . . . 51.02 111.523 176.152 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.646 ' HG ' ' HD3' ' B' ' 87' ' ' PRO . 83.4 mt -93.42 -44.9 8.04 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.716 -0.675 . . . . 74.21 109.94 173.911 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 33.2 t80 -136.65 131.06 33.13 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.003 -0.544 . . . . 54.43 109.819 -178.497 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.541 ' HB2' HG21 ' A' ' 3' ' ' ILE . 30.0 ttmt -138.66 138.73 38.06 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.878 0.37 . . . . 62.42 110.363 177.506 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.469 HG21 ' HB2' ' B' ' 48' ' ' GLN . 11.1 t -142.37 146.54 35.06 Favored 'General case' 0 C--O 1.237 0.444 0 N-CA-C 109.124 -0.695 . . . . 73.02 109.124 -179.592 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.493 ' HA ' ' HA ' ' B' ' 82' ' ' GLU . . . -117.01 154.36 31.06 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 121.012 0.434 . . . . 64.34 111.643 -174.82 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.513 ' HA ' ' HA ' ' A' ' 21' ' ' SER . . . -138.76 121.07 15.94 Favored 'General case' 0 C--O 1.226 -0.169 0 CA-C-N 116.048 -0.524 . . . . 65.14 110.693 177.097 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 7.7 t -98.97 115.83 29.81 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.241 0.543 . . . . 73.43 109.828 178.259 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.551 ' HA ' ' O ' ' A' ' 18' ' ' ARG . 17.7 p -107.37 116.97 32.87 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.042 -0.526 . . . . 71.32 111.135 179.171 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.579 ' HA ' HG22 ' B' ' 78' ' ' THR . 2.4 m -82.58 155.0 24.7 Favored 'General case' 0 C--O 1.238 0.485 0 CA-C-N 115.553 -0.749 . . . . 72.12 110.592 178.828 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -89.61 74.82 1.89 Allowed Glycine 0 CA--C 1.521 0.455 0 C-N-CA 121.147 -0.549 . . . . 62.44 112.974 179.549 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -73.47 -132.16 0.2 Allowed Glycine 0 CA--C 1.525 0.707 0 C-N-CA 121.102 -0.57 . . . . 62.02 112.171 173.099 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.42 ' HB3' ' HB1' ' A' ' 39' ' ' ALA . 9.8 mmt180 -60.9 -55.7 29.84 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 117.144 0.472 . . . . 73.04 110.508 176.676 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.581 ' HB3' ' HA ' ' A' ' 31' ' ' SER . 30.1 t0 -125.99 -42.42 1.89 Allowed 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.206 -0.452 . . . . 74.22 109.917 176.395 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -170.69 152.5 18.83 Favored Glycine 0 N--CA 1.446 -0.697 0 C-N-CA 120.456 -0.878 . . . . 73.12 111.786 171.682 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.551 ' O ' ' HA ' ' A' ' 11' ' ' SER . 3.3 tmt_? -135.2 101.32 4.81 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 108.49 -0.93 . . . . 73.24 108.49 178.195 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -102.38 123.79 46.79 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.907 0.384 . . . . 71.12 111.448 -170.064 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 45.6 m -128.56 111.99 13.83 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.178 -0.465 . . . . 63.53 110.002 176.626 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.513 ' HA ' ' HA ' ' A' ' 9' ' ' ALA . 43.4 t -67.23 107.77 2.48 Favored 'General case' 0 C--O 1.246 0.915 0 N-CA-C 107.858 -1.164 . . . . 62.3 107.858 175.689 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.483 ' H ' ' HA ' ' A' ' 9' ' ' ALA . 36.9 t-80 -48.76 -32.78 9.12 Favored 'General case' 0 C--N 1.348 0.538 0 O-C-N 126.205 2.19 . . . . 71.44 112.887 -167.846 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.439 ' HB2' ' HG2' ' A' ' 25' ' ' LYS . 2.1 m-20 -79.98 25.61 0.36 Allowed 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 120.993 0.425 . . . . 73.43 110.037 -175.91 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.46 ' H ' ' C ' ' A' ' 22' ' ' HIS . 26.6 mm-40 62.83 21.03 12.57 Favored 'General case' 0 CA--C 1.517 -0.298 0 CA-C-N 115.337 -0.847 . . . . 72.53 109.847 178.233 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.465 ' HB2' ' CB ' ' A' ' 21' ' ' SER . 32.2 mmtp -74.62 -42.23 58.98 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-N 115.227 -0.897 . . . . 73.44 109.057 178.055 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.452 ' N ' ' HB3' ' A' ' 21' ' ' SER . 39.8 tp -150.59 149.63 30.15 Favored 'General case' 0 C--O 1.221 -0.43 0 C-N-CA 120.009 -0.677 . . . . 74.42 111.872 -172.749 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -152.03 105.83 3.12 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-O 121.44 0.638 . . . . 74.13 109.317 172.353 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 3.1 m -151.09 178.02 0.58 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.524 0 CA-C-N 115.613 -0.721 . . . . 62.12 111.386 177.768 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.521 ' HA ' ' HA ' ' A' ' 18' ' ' ARG . 24.0 tttt -133.31 145.73 50.69 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.165 -0.925 . . . . 62.42 109.851 177.886 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.67 ' HB3' ' HB ' ' A' ' 44' ' ' THR . 0.0 OUTLIER -125.23 152.3 44.76 Favored 'General case' 0 C--O 1.247 0.931 0 CA-C-O 121.139 0.495 . . . . 64.12 109.979 174.316 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.581 ' HA ' ' HB3' ' A' ' 16' ' ' ASP . 73.1 m -168.04 101.58 0.46 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.051 -0.977 . . . . 75.34 109.607 -172.555 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.57 127.19 93.37 Favored Pre-proline 0 N--CA 1.447 -0.624 0 N-CA-C 109.622 -0.51 . . . . 52.21 109.622 178.192 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 5.5 Cg_endo -48.71 140.66 22.16 Favored 'Trans proline' 0 N--CA 1.461 -0.437 0 C-N-CA 122.363 2.042 . . . . 73.33 110.877 174.473 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.659 HH11 ' HA2' ' A' ' 37' ' ' GLY . 0.0 OUTLIER -43.39 -82.34 0.01 OUTLIER 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 123.461 0.705 . . . . 50.12 111.985 -175.516 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 46.39 -72.99 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.386 0 O-C-N 124.319 1.012 . . . . 75.14 113.569 179.559 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.556 ' N ' ' O ' ' A' ' 34' ' ' ARG . 7.1 mp -87.56 -47.85 8.39 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.859 0.838 . . . . 63.44 108.739 -177.335 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.659 ' HA2' HH11 ' A' ' 34' ' ' ARG . . . 166.84 39.12 0.02 OUTLIER Glycine 0 N--CA 1.44 -1.075 0 CA-C-N 114.183 -1.371 . . . . 72.22 110.606 -178.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -79.99 -134.84 1.29 Allowed Glycine 0 N--CA 1.444 -0.795 0 C-N-CA 120.313 -0.946 . . . . 73.44 112.424 -176.243 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.42 ' HB1' ' HB3' ' A' ' 15' ' ' ARG . . . -115.3 -8.74 12.28 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-O 120.833 0.349 . . . . 63.22 111.009 -175.653 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.461 ' HA2' ' H ' ' A' ' 34' ' ' ARG . . . 66.04 69.8 1.26 Allowed Glycine 0 C--N 1.331 0.294 0 CA-C-N 115.661 -0.699 . . . . 45.53 112.355 179.556 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -163.16 173.18 13.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.656 0.265 . . . . 44.21 110.357 -179.78 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -99.93 35.03 2.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.12 -0.491 . . . . 71.23 110.48 -179.005 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -82.06 -163.35 32.13 Favored Glycine 0 C--N 1.332 0.306 0 C-N-CA 121.19 -0.529 . . . . 55.55 112.079 -179.048 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.67 ' HB ' ' HB3' ' A' ' 30' ' ' LEU . 44.8 m -93.64 152.89 18.69 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.584 -0.525 . . . . 74.01 109.584 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -92.19 117.86 67.87 Favored Pre-proline 0 C--N 1.328 -0.368 0 N-CA-C 109.115 -0.698 . . . . 72.33 109.115 176.79 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.407 ' HB3' ' HB3' ' B' ' 57' ' ' CYS . 71.5 Cg_exo -43.31 -50.36 6.7 Favored 'Trans proline' 0 CA--C 1.536 0.606 0 C-N-CA 123.174 2.583 . . . . 63.04 113.154 178.64 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -59.09 -41.99 89.37 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-O 121.27 0.557 . . . . 62.13 110.55 -179.752 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -65.07 -37.82 88.8 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.657 -0.701 . . . . 72.35 110.026 178.706 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.515 HD12 ' HA3' ' B' ' 53' ' ' GLY . 2.7 tm? -62.74 -45.5 92.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.8 -0.636 . . . . 71.11 109.605 -179.793 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 63.8 t80 -64.45 -43.25 94.85 Favored 'General case' 0 C--O 1.224 -0.252 0 CA-C-N 115.994 -0.548 . . . . 64.45 110.67 177.281 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.613 ' HB2' HG11 ' A' ' 83' ' ' VAL . . . -57.17 -52.99 63.1 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.23 -0.441 . . . . 52.03 111.324 177.743 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.457 ' HB1' ' HB1' ' B' ' 19' ' ' ALA . . . -63.36 -42.91 98.9 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.084 -0.507 . . . . 51.43 110.405 -178.76 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.468 ' HA3' HD12 ' B' ' 49' ' ' LEU . . . -63.72 -44.41 96.37 Favored Glycine 0 C--O 1.224 -0.531 0 CA-C-N 115.609 -0.723 . . . . 45.35 112.402 178.891 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -65.06 -40.86 95.3 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 110.158 -0.312 . . . . 71.4 110.158 -179.641 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.424 ' OG ' ' HB2' ' A' ' 81' ' ' ALA . 49.7 m -62.71 -49.0 76.8 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.447 -0.342 . . . . 50.31 110.124 178.063 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.591 ' HB1' HD21 ' B' ' 30' ' ' LEU . . . -59.54 -47.56 85.05 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-O 121.095 0.474 . . . . 72.41 110.41 177.804 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 81.3 m -55.73 -36.27 67.06 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.456 -0.793 . . . . 74.4 110.628 175.758 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 10.9 t80 -60.59 -40.66 92.58 Favored 'General case' 0 CA--C 1.53 0.186 0 N-CA-C 109.744 -0.465 . . . . 64.12 109.744 -179.196 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.424 ' O ' ' HG3' ' A' ' 63' ' ' LYS . 4.0 mm? -68.29 -51.69 42.0 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.039 -0.528 . . . . 74.12 110.645 177.3 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 37.7 m -56.34 -42.07 77.1 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-O 120.856 0.36 . . . . 74.4 110.969 -179.29 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.19 -44.15 80.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 64.15 110.195 178.478 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' MET . . . . . 0.643 ' HG3' HD11 ' A' ' 73' ' ' LEU . 4.3 tpt -59.82 -32.07 70.31 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 115.592 -0.731 . . . . 61.32 110.093 177.642 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.424 ' HG3' ' O ' ' A' ' 59' ' ' LEU . 98.7 mttt -70.79 -48.99 51.29 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 116.26 -0.427 . . . . 62.32 110.49 177.344 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 71.0 t80 -55.37 -41.55 72.75 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 121.248 0.547 . . . . 70.35 109.947 177.318 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 49.2 t -62.83 -47.42 92.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.577 -0.738 . . . . 51.41 110.382 175.188 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -56.19 -34.56 66.36 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.979 -0.555 . . . . 55.45 110.753 -179.658 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -68.64 -31.56 73.59 Favored Glycine 0 N--CA 1.453 -0.182 0 CA-C-N 115.3 -0.864 . . . . 65.01 112.347 -176.257 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -96.69 -15.76 21.28 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.525 -0.546 . . . . 73.33 109.525 -178.55 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 13.7 m-80 -94.17 -1.11 54.69 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.525 -0.762 . . . . 73.35 110.726 176.719 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 20.9 mmtm 62.34 24.55 14.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.467 -0.788 . . . . 70.5 110.81 172.654 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -109.97 168.22 9.58 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.628 -0.714 . . . . 65.11 109.675 177.894 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 29.7 p -123.51 142.33 51.12 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.983 0.42 . . . . 71.13 110.841 -178.16 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.643 HD11 ' HG3' ' A' ' 62' ' ' MET . 96.2 mt -109.31 138.16 20.42 Favored Pre-proline 0 C--N 1.324 -0.513 0 CA-C-N 115.806 -0.634 . . . . 63.13 110.31 178.913 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.487 ' O ' HG22 ' A' ' 77' ' ' THR . 30.6 Cg_endo -64.88 139.07 60.57 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.611 2.207 . . . . 75.32 111.44 175.112 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -76.89 -10.15 59.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.206 0.527 . . . . 74.43 111.219 -179.134 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -89.89 5.23 47.23 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.596 -0.729 . . . . 72.44 111.442 -176.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.487 HG22 ' O ' ' A' ' 74' ' ' PRO . 9.7 t -78.64 146.51 34.05 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.2 -0.454 . . . . 73.42 111.265 -177.439 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 75.6 m -148.13 149.68 32.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.282 0.563 . . . . 65.01 110.554 -179.037 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 56.4 t -125.03 121.56 61.25 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-N 115.298 -0.865 . . . . 73.54 108.896 178.22 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 10.0 m -98.21 115.36 28.18 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.457 -0.338 . . . . 61.0 110.333 -179.042 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.526 ' HB1' ' HB1' ' A' ' 51' ' ' ALA . . . -96.03 104.63 16.59 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.87 -0.604 . . . . 75.0 110.622 179.43 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -98.28 110.09 22.74 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.337 -0.616 . . . . 74.0 109.337 176.117 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.613 HG11 ' HB2' ' A' ' 51' ' ' ALA . 16.7 m -114.2 135.59 53.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 121.391 0.615 . . . . 74.25 111.432 -178.126 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.411 ' HA2' ' HA ' ' B' ' 6' ' ' LYS . . . -136.36 162.66 25.12 Favored Glycine 0 N--CA 1.442 -0.944 0 CA-C-N 115.227 -0.897 . . . . 64.22 111.322 177.596 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -138.57 131.93 40.19 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 N-CA-C 109.257 -0.646 . . . . 71.32 109.257 -177.906 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -149.39 169.77 29.67 Favored Glycine 0 CA--C 1.517 0.181 0 O-C-N 124.143 0.902 . . . . 64.2 111.355 -179.63 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.707 ' HD3' ' HG ' ' B' ' 4' ' ' LEU . 4.7 Cg_exo -72.69 125.07 10.24 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.789 2.326 . . . . 75.13 111.719 -177.59 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' ASN . . . . . 0.474 ' HB2' ' HB2' ' A' ' 94' ' ' ALA . 25.2 t-20 -73.57 158.6 34.53 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.336 -0.616 . . . . 63.43 109.336 176.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -61.12 -23.95 65.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.787 0.327 . . . . 74.31 111.063 -177.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -69.65 -21.83 63.5 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-O 121.426 0.631 . . . . 62.35 110.587 177.001 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.31 6.61 41.63 Favored Glycine 0 N--CA 1.452 -0.282 0 CA-C-N 115.521 -0.763 . . . . 52.42 111.786 -176.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -97.12 -150.04 26.24 Favored Glycine 0 N--CA 1.45 -0.401 0 N-CA-C 110.854 -0.898 . . . . 74.12 110.854 177.535 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 32.9 m-85 -112.22 150.71 30.51 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 117.0 0.4 . . . . 72.25 110.023 175.823 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.474 ' HB2' ' HB2' ' A' ' 88' ' ' ASN . . . -139.31 136.65 35.07 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.811 -0.631 . . . . 73.43 109.821 -179.07 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -99.73 127.3 45.87 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.963 -0.562 . . . . 75.45 111.006 -177.53 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -110.01 110.89 21.95 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.122 -0.944 . . . . 62.1 108.793 177.538 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.561 HG22 HG12 ' A' ' 83' ' ' VAL . 49.0 t -119.73 110.82 30.42 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.86 0 CA-C-N 116.017 -0.538 . . . . 41.42 110.813 -175.005 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -101.47 113.37 26.41 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.136 -0.691 . . . . 51.52 109.136 175.625 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 13.6 tp -105.46 108.3 19.75 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.556 -0.535 . . . . 73.33 109.556 -174.904 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.547 ' HA ' ' O ' ' A' ' 137' ' ' VAL . 41.7 ttt180 -99.15 112.5 24.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.46 . . . . 73.43 109.84 -176.148 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 48.6 t -100.67 99.54 8.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.582 -0.281 . . . . 72.23 110.407 -172.789 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -93.14 101.58 13.88 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-O 120.968 0.414 . . . . 73.1 110.344 179.608 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.949 HD23 HD22 ' A' ' 106' ' ' LEU . 30.5 tp -114.7 111.59 45.88 Favored Pre-proline 0 C--N 1.326 -0.447 0 N-CA-C 108.304 -0.999 . . . . 73.31 108.304 176.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 104' ' ' PRO . . . . . 0.537 ' HD2' HD12 ' A' ' 103' ' ' LEU . 60.4 Cg_endo -73.12 148.5 44.59 Favored 'Trans proline' 0 N--CA 1.462 -0.358 0 C-N-CA 122.718 2.278 . . . . 73.52 112.868 -171.789 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 72.33 15.27 77.02 Favored Glycine 0 CA--C 1.519 0.333 0 CA-C-N 115.545 -0.752 . . . . 54.45 112.503 -178.194 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.949 HD22 HD23 ' A' ' 103' ' ' LEU . 22.7 tp -115.77 143.68 45.05 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 122.579 0.352 . . . . 65.03 110.759 -175.869 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -75.9 163.41 27.23 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 116.132 -0.485 . . . . 72.42 110.808 178.864 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -68.62 -44.57 73.97 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.309 -0.859 . . . . 74.35 109.833 171.179 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -62.43 -48.92 77.56 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 115.316 -0.856 . . . . 64.13 110.369 -177.062 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 0.524 ' O ' ' HG ' ' A' ' 114' ' ' LEU . . . -68.64 -41.42 79.44 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.94 -0.573 . . . . 73.25 110.035 179.663 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 111' ' ' ALA . . . . . 0.534 ' HA ' HD21 ' A' ' 106' ' ' LEU . . . -54.46 -44.94 73.0 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.175 -0.466 . . . . 54.13 111.503 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 59.0 mmtt -51.62 -47.84 63.52 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.251 -0.431 . . . . 74.23 110.975 177.568 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 113' ' ' THR . . . . . 0.502 HG22 ' O ' ' A' ' 110' ' ' ALA . 1.2 t -76.65 -34.96 58.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.471 -0.331 . . . . 74.22 111.27 -174.127 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.524 ' HG ' ' O ' ' A' ' 110' ' ' ALA . 42.0 mt -64.56 -51.8 60.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.782 0.325 . . . . 61.01 110.351 -179.113 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 59.2 t -63.5 -34.62 68.58 Favored 'Isoleucine or valine' 0 C--O 1.24 0.602 0 CA-C-O 121.376 0.608 . . . . 72.22 109.626 178.894 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 116' ' ' ASP . . . . . 0.65 ' HA ' ' CD2' ' A' ' 119' ' ' HIS . 24.2 t70 -64.45 -58.72 5.65 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-N 115.636 -0.711 . . . . 63.5 110.694 -179.38 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 117' ' ' ARG . . . . . 0.438 ' O ' HG22 ' A' ' 121' ' ' VAL . 10.4 ptm180 -60.33 -32.76 71.55 Favored 'General case' 0 N--CA 1.455 -0.188 0 CA-C-N 116.186 -0.461 . . . . 65.24 109.957 -178.69 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -59.17 -56.3 23.99 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-N 115.577 -0.738 . . . . 63.41 110.966 177.13 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 119' ' ' HIS . . . . . 0.65 ' CD2' ' HA ' ' A' ' 116' ' ' ASP . 16.7 p80 -72.29 -13.58 61.54 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 120.83 0.348 . . . . 74.13 110.565 179.732 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 11.8 t60 -76.23 -51.54 11.87 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.755 -0.657 . . . . 75.14 110.342 -178.546 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.438 HG22 ' O ' ' A' ' 117' ' ' ARG . 25.8 m -100.21 -18.4 6.35 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.325 0 N-CA-C 112.236 0.458 . . . . 74.54 112.236 -174.568 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 47.3 t -121.82 82.71 42.47 Favored Pre-proline 0 N--CA 1.465 0.317 0 CA-C-O 121.023 0.44 . . . . 72.12 110.902 -178.475 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_endo -99.68 134.74 0.23 Allowed 'Trans proline' 0 N--CA 1.453 -0.872 0 C-N-CA 123.198 2.599 . . . . 74.45 112.525 175.807 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -65.98 -20.72 66.29 Favored 'General case' 0 N--CA 1.468 0.471 0 N-CA-C 108.463 -0.94 . . . . 65.44 108.463 170.914 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 125' ' ' SER . . . . . 0.62 ' O ' HG22 ' A' ' 128' ' ' THR . 29.8 t -176.59 145.67 0.56 Allowed 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 113.647 -1.615 . . . . 62.44 106.894 174.689 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 126' ' ' ASN . . . . . 0.7 ' HB3' HD21 ' B' ' 131' ' ' ASN . 49.0 t30 -59.69 -31.4 69.54 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.801 0.81 . . . . 73.42 109.021 176.849 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 127' ' ' ALA . . . . . 0.566 ' O ' ' HB3' ' A' ' 131' ' ' ASN . . . -84.44 5.2 28.21 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 114.716 -1.129 . . . . 54.1 112.322 -176.897 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 128' ' ' THR . . . . . 0.62 HG22 ' O ' ' A' ' 125' ' ' SER . 2.2 t -94.89 -7.31 40.47 Favored 'General case' 0 N--CA 1.467 0.397 0 N-CA-C 109.299 -0.63 . . . . 73.21 109.299 -178.763 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 35.5 ptt180 -121.65 -52.78 2.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.029 -0.987 . . . . 72.04 110.54 -175.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 88.9 m-20 -78.83 -34.23 45.4 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.748 -0.66 . . . . 71.52 111.697 -177.102 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 131' ' ' ASN . . . . . 0.566 ' HB3' ' O ' ' A' ' 127' ' ' ALA . 23.1 t-20 -88.23 -42.78 12.06 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 120.882 0.372 . . . . 72.12 110.483 -178.494 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 59.5 t -88.5 127.85 41.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.101 -0.5 . . . . 70.22 110.019 179.327 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -73.57 85.6 1.57 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.617 0.723 . . . . 45.42 111.113 -177.612 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 134' ' ' VAL . . . . . 0.526 ' HA ' ' O ' ' A' ' 97' ' ' VAL . 42.3 t -102.14 118.44 48.98 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.634 0 CA-C-N 115.052 -0.976 . . . . 75.02 110.561 176.343 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 19.2 mtm180 -90.13 108.61 19.84 Favored 'General case' 0 C--O 1.234 0.264 0 N-CA-C 109.352 -0.61 . . . . 72.41 109.352 175.259 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 72.1 mt -82.18 108.84 15.96 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.362 0.601 . . . . 50.04 111.004 -179.504 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 137' ' ' VAL . . . . . 0.547 ' O ' ' HA ' ' A' ' 100' ' ' ARG . 0.2 OUTLIER -116.38 116.73 53.18 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-N 115.037 -0.983 . . . . 74.42 109.637 -179.378 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 4.0 m -89.96 138.99 18.25 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-O 121.251 0.548 . . . . 53.11 110.299 -177.556 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.315 -0.921 0 CA-C-N 115.558 -0.746 . . . . 73.13 110.763 -175.978 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 17.2 ptt? . . . . . 0 C--O 1.233 0.195 0 CA-C-O 120.74 0.305 . . . . 72.42 110.625 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 43.6 t30 -78.2 74.0 4.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.268 0.556 . . . . 61.35 110.806 179.276 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 3' ' ' ILE . . . . . 0.546 HG21 ' HB2' ' B' ' 6' ' ' LYS . 33.1 mm -67.08 127.54 28.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 115.703 -0.681 . . . . 72.42 111.236 174.747 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.707 ' HG ' ' HD3' ' A' ' 87' ' ' PRO . 87.5 mt -84.78 -45.33 12.47 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.565 -0.743 . . . . 75.25 109.98 175.392 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 5' ' ' TYR . . . . . . . . . . . . . 25.5 t80 -138.81 131.31 28.77 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.201 -0.454 . . . . 75.45 110.322 -178.16 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 6' ' ' LYS . . . . . 0.546 ' HB2' HG21 ' B' ' 3' ' ' ILE . 30.6 ttmt -139.51 141.14 37.33 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-O 121.27 0.557 . . . . 65.01 111.846 177.297 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 7.8 t -142.48 145.47 33.74 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-N 115.251 -0.886 . . . . 72.52 108.964 178.194 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -118.5 148.49 42.55 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-O 120.766 0.317 . . . . 64.22 111.079 -176.299 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 9' ' ' ALA . . . . . 0.601 ' HA ' ' H ' ' B' ' 22' ' ' HIS . . . -137.16 136.05 37.88 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.22 -0.445 . . . . 31.45 110.338 -179.37 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 10' ' ' THR . . . . . 0.507 HG23 ' HB ' ' B' ' 20' ' ' THR . 7.8 t -98.79 127.2 44.64 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.639 -0.504 . . . . 64.31 109.639 177.532 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 42.1 t -122.77 113.01 18.6 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.429 -0.351 . . . . 74.14 110.372 -177.704 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 17.3 m -100.94 161.46 13.58 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 110.171 -0.307 . . . . 53.42 110.171 -179.237 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -99.22 49.52 1.22 Allowed Glycine 0 N--CA 1.45 -0.373 0 N-CA-C 111.448 -0.661 . . . . 71.12 111.448 176.627 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -40.98 -99.09 0.01 OUTLIER Glycine 0 C--N 1.344 1.008 0 O-C-N 124.329 0.664 . . . . 73.4 114.49 -172.521 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 22.7 mmm180 -84.94 -55.06 4.26 Favored 'General case' 0 N--CA 1.465 0.283 0 O-C-N 122.266 -0.549 . . . . 65.14 109.797 177.449 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 16' ' ' ASP . . . . . 0.407 ' HB3' ' HA ' ' B' ' 31' ' ' SER . 9.8 t70 -122.8 -43.43 2.25 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 108.611 -0.885 . . . . 65.33 108.611 171.218 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 17' ' ' GLY . . . . . 0.514 ' O ' ' HG3' ' B' ' 29' ' ' LYS . . . -164.01 165.02 36.86 Favored Glycine 0 N--CA 1.446 -0.635 0 N-CA-C 111.24 -0.744 . . . . 74.22 111.24 166.819 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 18' ' ' ARG . . . . . 0.592 ' HA ' ' HA ' ' B' ' 29' ' ' LYS . 24.7 ttm180 -147.86 143.33 27.36 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 109.716 -0.476 . . . . 74.4 109.716 179.386 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 19' ' ' ALA . . . . . 0.457 ' HB1' ' HB1' ' A' ' 52' ' ' ALA . . . -134.02 123.71 25.01 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.666 -0.494 . . . . 64.21 109.666 -179.861 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 20' ' ' THR . . . . . 0.507 ' HB ' HG23 ' B' ' 10' ' ' THR . 33.4 m -133.67 115.31 14.47 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.28 -0.418 . . . . 75.11 110.515 -177.257 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 21' ' ' SER . . . . . 0.492 ' HB3' ' N ' ' B' ' 26' ' ' LEU . 32.2 t -72.62 107.15 4.96 Favored 'General case' 0 C--O 1.244 0.809 0 N-CA-C 106.976 -1.49 . . . . 74.21 106.976 174.743 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 22' ' ' HIS . . . . . 0.601 ' H ' ' HA ' ' B' ' 9' ' ' ALA . 0.0 OUTLIER -55.41 -20.43 12.2 Favored 'General case' 0 N--CA 1.469 0.492 0 O-C-N 125.345 1.653 . . . . 73.12 112.249 -165.933 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 23' ' ' ASP . . . . . 0.523 ' HB2' ' HE2' ' B' ' 25' ' ' LYS . 3.4 m-20 -80.32 18.63 0.86 Allowed 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.583 -0.525 . . . . 63.54 109.583 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 24' ' ' GLN . . . . . 0.424 ' H ' ' C ' ' B' ' 22' ' ' HIS . 27.1 mm-40 64.16 20.39 12.16 Favored 'General case' 0 C--N 1.342 0.26 0 CA-C-N 115.386 -0.824 . . . . 71.43 110.131 -179.426 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 25' ' ' LYS . . . . . 0.523 ' HE2' ' HB2' ' B' ' 23' ' ' ASP . 51.2 mtmt -84.65 -24.79 28.89 Favored 'General case' 0 N--CA 1.455 -0.202 0 CA-C-N 115.458 -0.792 . . . . 41.25 110.835 179.566 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 26' ' ' LEU . . . . . 0.492 ' N ' ' HB3' ' B' ' 21' ' ' SER . 53.2 tp -151.31 145.39 25.29 Favored 'General case' 0 C--O 1.222 -0.382 0 C-N-CA 120.604 -0.438 . . . . 71.52 110.986 178.732 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -158.09 95.3 1.37 Allowed 'General case' 0 C--O 1.235 0.319 0 O-C-N 123.645 0.591 . . . . 53.33 109.588 174.193 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 5.2 m -142.31 175.78 4.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 121.323 0.582 . . . . 74.12 111.383 178.739 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 29' ' ' LYS . . . . . 0.592 ' HA ' ' HA ' ' B' ' 18' ' ' ARG . 3.0 ttpm? -127.82 141.03 51.68 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.17 -0.923 . . . . 64.31 109.884 -178.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 30' ' ' LEU . . . . . 0.655 ' HA ' ' H ' ' B' ' 44' ' ' THR . 0.0 OUTLIER -123.64 166.11 16.05 Favored 'General case' 0 C--O 1.252 1.222 0 CA-C-N 116.28 -0.418 . . . . 72.32 110.023 178.078 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 31' ' ' SER . . . . . 0.444 ' OG ' ' HB3' ' B' ' 41' ' ' ALA . 24.4 m -154.26 131.32 11.0 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.778 -0.646 . . . . 62.35 111.06 -174.339 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -66.32 134.1 94.59 Favored Pre-proline 0 C--O 1.236 0.355 0 N-CA-C 109.518 -0.549 . . . . 75.13 109.518 173.39 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 33' ' ' PRO . . . . . 0.519 ' HG2' HD12 ' B' ' 36' ' ' LEU . 11.9 Cg_endo -55.85 118.93 5.78 Favored 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 122.363 2.042 . . . . 71.3 111.811 -176.828 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 34' ' ' ARG . . . . . 0.488 ' HG2' ' CA ' ' B' ' 40' ' ' GLY . 0.1 OUTLIER -52.94 -24.54 9.54 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 115.962 -0.563 . . . . 71.43 110.263 -179.903 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -45.49 -39.79 7.69 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 115.046 -0.979 . . . . 72.42 111.755 178.916 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.602 HD13 HD12 ' B' ' 85' ' ' ILE . 24.0 mt -98.84 17.13 20.21 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.331 -0.849 . . . . 63.52 111.035 -170.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 78.87 43.98 10.67 Favored Glycine 0 N--CA 1.449 -0.436 0 CA-C-N 115.769 -0.651 . . . . 51.22 112.099 -179.616 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -91.41 -135.67 6.68 Favored Glycine 0 N--CA 1.446 -0.664 0 C-N-CA 120.719 -0.753 . . . . 64.12 111.382 179.191 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -105.47 -51.75 2.95 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.779 0.323 . . . . 71.25 110.662 -178.278 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 40' ' ' GLY . . . . . 0.488 ' CA ' ' HG2' ' B' ' 34' ' ' ARG . . . 97.47 102.59 2.16 Favored Glycine 0 C--N 1.331 0.29 0 C-N-CA 121.29 -0.481 . . . . 53.13 112.575 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 41' ' ' ALA . . . . . 0.444 ' HB3' ' OG ' ' B' ' 31' ' ' SER . . . -160.28 165.63 31.0 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 110.222 -0.288 . . . . 45.11 110.222 175.809 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -80.04 74.47 6.82 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-O 121.779 0.8 . . . . 74.14 110.761 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -134.57 -173.48 13.14 Favored Glycine 0 N--CA 1.45 -0.424 0 CA-C-N 114.894 -1.048 . . . . 72.12 111.892 176.772 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 44' ' ' THR . . . . . 0.655 ' H ' ' HA ' ' B' ' 30' ' ' LEU . 24.8 m -101.1 150.77 22.58 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 110.329 -0.249 . . . . 35.03 110.329 -179.219 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 45' ' ' ASN . . . . . 0.407 ' HB2' ' HB3' ' B' ' 48' ' ' GLN . 15.9 m120 -59.52 116.48 16.66 Favored Pre-proline 0 CA--C 1.53 0.206 0 O-C-N 123.278 0.361 . . . . 71.14 110.348 175.708 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 46' ' ' PRO . . . . . . . . . . . . . 8.6 Cg_endo -52.11 -39.43 70.69 Favored 'Trans proline' 0 C--O 1.241 0.668 0 C-N-CA 122.484 2.122 . . . . 54.41 111.528 174.019 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -55.88 -49.12 74.25 Favored 'General case' 0 C--O 1.238 0.459 0 N-CA-C 108.633 -0.877 . . . . 73.03 108.633 175.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 48' ' ' GLN . . . . . 0.485 ' NE2' ' HB2' ' A' ' 9' ' ' ALA . 18.4 tp60 -67.48 -31.18 71.15 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 114.308 -1.315 . . . . 65.22 110.867 -179.197 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 49' ' ' LEU . . . . . 0.468 HD12 ' HA3' ' A' ' 53' ' ' GLY . 2.7 tm? -62.84 -51.23 67.81 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.143 -0.688 . . . . 73.15 109.143 -179.204 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 50.7 t80 -61.88 -44.1 97.51 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.157 -0.474 . . . . 74.53 110.513 175.439 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -53.18 -52.03 60.13 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 116.216 -0.447 . . . . 63.22 111.569 178.519 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -66.29 -46.03 78.38 Favored 'General case' 0 C--O 1.238 0.479 0 CA-C-O 121.193 0.521 . . . . 74.31 110.823 -177.145 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 53' ' ' GLY . . . . . 0.515 ' HA3' HD12 ' A' ' 49' ' ' LEU . . . -61.45 -35.48 91.1 Favored Glycine 0 N--CA 1.449 -0.485 0 CA-C-N 115.678 -0.692 . . . . 73.22 111.803 178.118 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 54' ' ' TYR . . . . . 0.827 ' HA ' ' SG ' ' B' ' 57' ' ' CYS . 2.9 t80 -75.13 -43.34 53.16 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 122.213 0.205 . . . . 73.14 110.702 -179.004 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 55' ' ' SER . . . . . 0.613 ' HB3' ' HB2' ' B' ' 81' ' ' ALA . 58.0 p -62.93 -39.58 95.02 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.869 -0.419 . . . . 71.55 109.869 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 56' ' ' ALA . . . . . 0.531 ' HB1' HD21 ' A' ' 30' ' ' LEU . . . -70.18 -49.26 52.17 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 115.813 -0.631 . . . . 72.32 111.006 177.221 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 57' ' ' CYS . . . . . 0.827 ' SG ' ' HA ' ' B' ' 54' ' ' TYR . 18.9 p -60.28 -36.19 77.27 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 120.897 0.38 . . . . 72.4 110.237 -179.596 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 52.1 t80 -54.96 -32.84 61.85 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 115.924 -0.58 . . . . 52.32 110.217 -179.159 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -68.08 -44.42 76.29 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.301 -0.629 . . . . 64.41 109.301 177.579 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 60' ' ' SER . . . . . 0.475 ' HA ' ' HE2' ' B' ' 63' ' ' LYS . 3.8 m -62.0 -46.23 90.12 Favored 'General case' 0 C--O 1.242 0.672 0 CA-C-O 121.728 0.775 . . . . 73.23 110.139 177.36 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 61' ' ' ALA . . . . . 0.545 ' HB1' ' SG ' ' B' ' 122' ' ' CYS . . . -57.91 -48.26 80.4 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 115.12 -0.945 . . . . 44.1 110.145 178.659 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 62' ' ' MET . . . . . 0.534 ' HA ' ' HB ' ' B' ' 65' ' ' VAL . 18.8 mtp -69.08 -26.79 65.12 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.388 -0.369 . . . . 71.0 110.972 178.615 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 63' ' ' LYS . . . . . 0.475 ' HE2' ' HA ' ' B' ' 60' ' ' SER . 16.3 ttmm -60.36 -45.94 91.71 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 108.754 -0.832 . . . . 72.03 108.754 175.658 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 48.9 t80 -71.28 -46.37 61.01 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 115.303 -0.862 . . . . 73.11 110.895 176.158 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 65' ' ' VAL . . . . . 0.534 ' HB ' ' HA ' ' B' ' 62' ' ' MET . 41.1 t -57.51 -45.34 85.93 Favored 'Isoleucine or valine' 0 C--O 1.236 0.383 0 CA-C-N 115.836 -0.62 . . . . 75.05 111.42 -176.829 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 66' ' ' ALA . . . . . 0.42 ' HA ' ' HG3' ' B' ' 71' ' ' GLN . . . -56.05 -33.44 64.99 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.105 0.479 . . . . 74.13 110.508 179.815 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -70.59 -32.27 67.6 Favored Glycine 0 N--CA 1.452 -0.258 0 CA-C-N 115.429 -0.805 . . . . 75.04 112.453 -177.16 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 12.8 pt20 -95.47 -13.95 24.13 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.122 0.487 . . . . 64.5 109.704 -178.151 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 69' ' ' ASN . . . . . 0.482 ' ND2' HG13 ' B' ' 65' ' ' VAL . 17.6 m-80 -97.94 5.24 49.13 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.545 -0.752 . . . . 65.21 111.69 178.815 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 64.58 26.23 13.25 Favored 'General case' 0 N--CA 1.47 0.525 0 CA-C-N 115.862 -0.608 . . . . 73.12 111.521 172.769 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 71' ' ' GLN . . . . . 0.42 ' HG3' ' HA ' ' B' ' 66' ' ' ALA . 2.2 pt20 -122.08 166.7 14.11 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.003 -0.544 . . . . 74.24 110.441 -178.762 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 28.1 p -125.97 139.48 53.41 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.011 -0.54 . . . . 74.12 110.135 -179.635 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 94.4 mt -109.7 137.9 20.51 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.4 -0.363 . . . . 75.15 110.892 179.688 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 74' ' ' PRO . . . . . 0.714 ' HD2' HD11 ' B' ' 103' ' ' LEU . 22.8 Cg_exo -66.79 142.75 64.52 Favored 'Trans proline' 0 C--N 1.349 0.605 0 C-N-CA 122.767 2.311 . . . . 62.01 111.973 172.566 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -74.67 -24.33 58.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.429 0.633 . . . . 71.53 111.706 -178.766 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -80.8 23.98 0.51 Allowed 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.33 -0.85 . . . . 60.22 111.692 -171.477 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 77' ' ' THR . . . . . 0.515 ' HB ' HD12 ' B' ' 103' ' ' LEU . 9.7 t -89.58 173.12 8.49 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 112.669 0.618 . . . . 73.25 112.669 -174.673 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 78' ' ' THR . . . . . 0.579 HG22 ' HA ' ' A' ' 12' ' ' THR . 0.9 OUTLIER -153.48 149.34 27.61 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 114.939 -1.028 . . . . 71.23 109.855 179.891 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 78.3 t -135.83 124.49 38.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 N-CA-C 109.559 -0.534 . . . . 54.24 109.559 177.234 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 80' ' ' THR . . . . . 0.529 ' HB ' ' HB3' ' B' ' 100' ' ' ARG . 27.3 m -111.03 113.85 26.7 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 120.801 0.334 . . . . 72.42 111.239 -176.928 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 81' ' ' ALA . . . . . 0.613 ' HB2' ' HB3' ' B' ' 55' ' ' SER . . . -93.23 108.61 20.2 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.821 0.343 . . . . 73.43 110.176 177.06 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 82' ' ' GLU . . . . . 0.493 ' HA ' ' HA ' ' A' ' 8' ' ' ALA . 44.4 tt0 -106.92 107.57 18.65 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.182 -0.673 . . . . 71.23 109.182 179.715 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 83' ' ' VAL . . . . . 0.507 HG12 HG13 ' B' ' 97' ' ' VAL . 21.4 m -110.96 145.28 17.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 120.993 0.425 . . . . 71.44 111.273 -174.73 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 84' ' ' GLY . . . . . . . . . . . . . . . -136.35 157.24 23.44 Favored Glycine 0 N--CA 1.443 -0.878 0 CA-C-N 115.695 -0.684 . . . . 52.45 111.593 178.628 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 85' ' ' ILE . . . . . 0.602 HD12 HD13 ' B' ' 36' ' ' LEU . 0.0 OUTLIER -134.84 130.82 52.91 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.877 0 N-CA-C 108.94 -0.763 . . . . 73.1 108.94 -179.452 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 86' ' ' GLY . . . . . 0.501 ' HA2' ' HG ' ' A' ' 4' ' ' LEU . . . -139.7 170.19 24.32 Favored Glycine 0 CA--C 1.516 0.105 0 O-C-N 123.993 0.808 . . . . 52.3 111.31 -177.41 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 87' ' ' PRO . . . . . 0.646 ' HD3' ' HG ' ' A' ' 4' ' ' LEU . 74.2 Cg_endo -72.07 141.43 36.36 Favored 'Trans proline' 0 N--CA 1.461 -0.414 0 C-N-CA 122.242 1.962 . . . . 61.3 111.863 -176.558 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 88' ' ' ASN . . . . . . . . . . . . . 47.6 t-20 -94.84 143.92 26.06 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 108.653 -0.869 . . . . 72.3 108.653 177.174 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -62.73 -18.26 62.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.976 0.417 . . . . 65.22 110.891 -177.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -67.41 -24.78 65.69 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 115.817 -0.628 . . . . 74.05 110.547 175.656 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.04 33.71 3.94 Favored Glycine 0 N--CA 1.45 -0.381 0 N-CA-C 111.233 -0.747 . . . . 72.2 111.233 -173.537 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . -140.37 -142.2 4.14 Favored Glycine 0 N--CA 1.451 -0.323 0 N-CA-C 111.288 -0.725 . . . . 70.13 111.288 -179.356 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 93' ' ' PHE . . . . . 0.576 ' CD2' HD11 ' B' ' 85' ' ' ILE . 19.2 m-85 -113.61 157.39 22.17 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.131 0.491 . . . . 73.12 111.211 179.151 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -142.77 136.72 29.15 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.106 -0.952 . . . . 62.21 108.947 177.642 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -102.87 143.46 32.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.176 0.513 . . . . 74.21 111.608 -175.011 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 96' ' ' ASP . . . . . 0.442 ' HB3' HD11 ' A' ' 3' ' ' ILE . 27.7 t70 -132.15 110.46 10.68 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 114.778 -1.101 . . . . 73.53 108.698 178.329 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 97' ' ' VAL . . . . . 0.762 ' HB ' HG22 ' B' ' 134' ' ' VAL . 61.0 t -110.27 110.77 33.4 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.026 0 CA-C-O 120.736 0.303 . . . . 65.34 111.022 -177.069 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 98' ' ' GLU . . . . . 0.548 ' HG2' ' HB2' ' B' ' 135' ' ' ARG . 40.8 mt-10 -98.33 105.5 17.65 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.481 -0.562 . . . . 74.42 109.481 174.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 14.6 tp -94.0 111.42 23.13 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.308 -0.627 . . . . 61.12 109.308 -177.839 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 100' ' ' ARG . . . . . 0.587 ' HA ' ' O ' ' B' ' 137' ' ' VAL . 59.1 ttt180 -99.16 131.1 45.44 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.699 -0.682 . . . . 64.11 110.016 -175.912 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 101' ' ' VAL . . . . . . . . . . . . . 93.1 t -117.06 129.35 73.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.475 -0.329 . . . . 60.12 110.856 -175.554 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -126.22 101.53 6.79 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-O 120.913 0.387 . . . . 53.32 110.186 174.856 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 103' ' ' LEU . . . . . 0.833 HD23 HD22 ' B' ' 106' ' ' LEU . 27.4 tp -115.76 118.58 38.66 Favored Pre-proline 0 C--N 1.329 -0.295 0 N-CA-C 109.056 -0.72 . . . . 72.24 109.056 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 104' ' ' PRO . . . . . 0.522 ' HD2' HD12 ' B' ' 103' ' ' LEU . 57.1 Cg_endo -68.81 146.51 66.32 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 122.554 2.17 . . . . 74.24 113.085 -174.218 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 105' ' ' GLY . . . . . . . . . . . . . . . 70.1 15.05 71.72 Favored Glycine 0 CA--C 1.518 0.237 0 CA-C-N 115.208 -0.906 . . . . 72.34 112.878 -178.643 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 106' ' ' LEU . . . . . 0.833 HD22 HD23 ' B' ' 103' ' ' LEU . 34.6 tp -119.17 140.81 49.56 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-O 120.824 0.345 . . . . 60.53 111.008 -176.85 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -76.71 164.86 25.47 Favored 'General case' 0 CA--C 1.512 -0.506 0 CA-C-N 116.056 -0.52 . . . . 63.12 110.9 178.309 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 108' ' ' ALA . . . . . 0.468 ' O ' ' HG3' ' B' ' 112' ' ' LYS . . . -68.64 -45.59 71.42 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.475 -0.784 . . . . 34.32 109.947 170.416 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -61.16 -47.0 88.22 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 115.645 -0.707 . . . . 64.51 110.727 -176.471 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 110' ' ' ALA . . . . . 0.491 ' O ' HG22 ' B' ' 113' ' ' THR . . . -71.34 -41.42 69.83 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-N 115.699 -0.682 . . . . 72.03 110.194 178.804 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 111' ' ' ALA . . . . . 0.531 ' HA ' HD21 ' B' ' 106' ' ' LEU . . . -54.51 -41.86 70.13 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-N 116.049 -0.523 . . . . 64.14 111.454 178.857 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 112' ' ' LYS . . . . . 0.468 ' HG3' ' O ' ' B' ' 108' ' ' ALA . 28.3 mtpp -52.93 -43.83 66.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.461 -0.336 . . . . 74.45 111.548 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 113' ' ' THR . . . . . 0.491 HG22 ' O ' ' B' ' 110' ' ' ALA . 1.5 t -78.72 -37.64 40.95 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 120.874 -0.33 . . . . 72.03 110.727 -177.613 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 114' ' ' LEU . . . . . 0.412 ' HG ' ' O ' ' B' ' 110' ' ' ALA . 38.5 mt -63.22 -45.9 89.49 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-O 120.956 0.408 . . . . 70.23 110.073 -179.784 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 115' ' ' VAL . . . . . 0.412 HG21 HG12 ' B' ' 138' ' ' VAL . 88.9 t -64.79 -39.12 84.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.749 -0.66 . . . . 63.55 110.029 176.825 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -55.94 -59.28 5.12 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-O 120.907 0.384 . . . . 75.43 110.945 179.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 117' ' ' ARG . . . . . . . . . . . . . 14.5 ptm180 -63.23 -44.73 94.43 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.749 -0.659 . . . . 70.2 111.034 -177.222 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -62.35 -36.48 82.35 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-O 121.391 0.615 . . . . 61.11 110.629 178.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 42.5 t-80 -84.04 2.35 39.57 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.457 -0.792 . . . . 74.31 110.208 -178.788 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 57.8 t-80 -108.48 -37.56 5.92 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 120.528 0.204 . . . . 61.52 111.045 178.495 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 30.8 m -79.88 -36.12 16.81 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.319 0 N-CA-C 112.261 0.467 . . . . 63.42 112.261 -175.261 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 122' ' ' CYS . . . . . 0.545 ' SG ' ' HB1' ' B' ' 61' ' ' ALA . 70.0 m -71.34 137.77 83.97 Favored Pre-proline 0 CA--C 1.535 0.387 0 CA-C-N 116.711 -0.222 . . . . 74.53 110.798 -177.256 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 123' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_exo -50.68 -61.24 0.59 Allowed 'Trans proline' 0 C--N 1.355 0.911 0 C-N-CA 123.326 2.684 . . . . 65.25 113.059 -176.262 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 124' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 . . . . . 0 N--CA 1.467 0.395 0 CA-C-O 121.209 0.528 . . . . 65.35 110.401 179.706 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 128' ' ' THR . . . . . 0.462 ' HA ' ' HB ' ' B' ' 132' ' ' VAL . 2.1 t . . . . . 0 C--O 1.224 -0.268 0 CA-C-O 120.827 0.346 . . . . 55.14 110.626 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 129' ' ' ARG . . . . . . . . . . . . . 16.6 ptm180 -110.17 -48.47 3.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.465 0.65 . . . . 75.21 109.981 179.3 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 130' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -79.03 -34.38 43.94 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.452 -0.794 . . . . 74.14 110.935 179.182 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 131' ' ' ASN . . . . . 0.7 HD21 ' HB3' ' A' ' 126' ' ' ASN . 8.1 t-20 -96.6 -40.93 8.78 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.847 -0.615 . . . . 75.43 111.079 -176.596 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 132' ' ' VAL . . . . . 0.48 HG12 ' N ' ' B' ' 133' ' ' ALA . 22.6 t -115.47 167.86 7.74 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.489 0 CA-C-N 116.138 -0.483 . . . . 52.13 110.376 -174.121 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 133' ' ' ALA . . . . . 0.48 ' N ' HG12 ' B' ' 132' ' ' VAL . . . -95.57 97.31 9.66 Favored 'General case' 0 C--O 1.242 0.674 0 CA-C-O 121.514 0.674 . . . . 72.23 112.036 -176.727 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 134' ' ' VAL . . . . . 0.762 HG22 ' HB ' ' B' ' 97' ' ' VAL . 72.6 t -122.71 115.46 45.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.12 -0.946 . . . . 61.1 111.386 177.293 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 135' ' ' ARG . . . . . 0.548 ' HB2' ' HG2' ' B' ' 98' ' ' GLU . 17.2 mtp180 -82.29 122.29 27.75 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.371 -0.831 . . . . 74.32 109.296 173.456 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 51.0 mt -91.97 113.21 25.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.03 0.443 . . . . 72.41 110.935 -178.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 137' ' ' VAL . . . . . 0.587 ' O ' ' HA ' ' B' ' 100' ' ' ARG . 0.2 OUTLIER -117.94 114.22 44.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.472 -0.785 . . . . 72.22 110.401 -179.345 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 138' ' ' VAL . . . . . 0.412 HG12 HG21 ' B' ' 115' ' ' VAL . 4.0 m -98.78 138.57 22.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.812 -0.631 . . . . 70.52 110.188 -179.26 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 139' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.188 0 CA-C-N 115.425 -0.807 . . . . 71.35 111.272 -174.869 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.58 ' HE3' HD13 ' A' ' 3' ' ' ILE . 15.7 ptt? . . . . . 0 N--CA 1.485 1.278 0 CA-C-O 120.538 0.209 . . . . 71.43 110.634 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 57.0 t30 -73.19 79.95 1.29 Allowed 'General case' 0 CA--C 1.53 0.212 0 CA-C-O 121.461 0.648 . . . . 75.52 110.659 176.819 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.584 HG21 ' HB2' ' A' ' 6' ' ' LYS . 33.8 mm -73.08 136.93 24.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 115.294 -0.866 . . . . 51.02 111.673 176.779 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.701 ' HG ' ' HD3' ' B' ' 87' ' ' PRO . 87.6 mt -85.19 -46.95 10.59 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.93 -0.577 . . . . 74.21 110.244 176.154 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 44.2 t80 -132.07 128.41 38.15 Favored 'General case' 0 C--O 1.222 -0.384 0 N-CA-C 110.084 -0.339 . . . . 54.43 110.084 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.584 ' HB2' HG21 ' A' ' 3' ' ' ILE . 29.4 ttmt -137.79 146.59 43.74 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.087 0.47 . . . . 62.42 111.342 179.678 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 4.9 t -144.11 158.89 43.45 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 115.264 -0.88 . . . . 73.02 109.313 178.34 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -123.25 149.14 45.12 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 121.071 0.462 . . . . 64.34 111.851 -175.517 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.621 ' HA ' ' H ' ' A' ' 22' ' ' HIS . . . -138.33 122.4 17.95 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.863 -0.608 . . . . 65.14 110.288 176.8 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 44.1 m -101.5 119.55 38.94 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.322 -0.399 . . . . 73.43 110.53 -178.794 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 34.4 p -121.08 115.45 23.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.773 0.32 . . . . 71.32 111.138 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 16.7 m -98.65 160.2 14.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 72.12 110.224 177.823 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -102.44 63.18 0.47 Allowed Glycine 0 N--CA 1.451 -0.338 0 N-CA-C 111.612 -0.595 . . . . 62.44 111.612 177.499 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -55.35 -90.51 0.01 OUTLIER Glycine 0 C--N 1.339 0.7 0 C-N-CA 121.425 -0.417 . . . . 62.02 113.14 -176.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.431 ' HA ' ' NE ' ' A' ' 15' ' ' ARG . 7.4 tpm_? -88.89 -55.08 3.84 Favored 'General case' 0 C--O 1.235 0.294 0 O-C-N 122.396 -0.473 . . . . 73.04 110.276 177.681 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.421 ' HB3' ' HA ' ' A' ' 31' ' ' SER . 18.1 t70 -126.2 -43.39 1.8 Allowed 'General case' 0 N--CA 1.465 0.297 0 C-N-CA 120.939 -0.304 . . . . 74.22 110.223 170.889 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -169.14 161.66 35.3 Favored Glycine 0 C--N 1.338 0.692 0 C-N-CA 120.716 -0.754 . . . . 73.12 111.67 162.787 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.564 ' HA ' ' HA ' ' A' ' 29' ' ' LYS . 3.8 tmm_? -149.59 122.96 9.02 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.607 -0.516 . . . . 73.24 109.607 -178.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.598 ' HB2' ' HB2' ' B' ' 56' ' ' ALA . . . -117.67 124.1 47.72 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.892 0.377 . . . . 71.12 110.908 -176.409 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 28.6 m -130.68 111.76 12.48 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.855 -0.611 . . . . 63.53 109.569 179.022 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.562 ' HB3' ' N ' ' A' ' 26' ' ' LEU . 46.0 t -67.84 110.71 3.94 Favored 'General case' 0 C--O 1.247 0.951 0 N-CA-C 108.004 -1.11 . . . . 62.3 108.004 177.325 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.621 ' H ' ' HA ' ' A' ' 9' ' ' ALA . 10.0 t-80 -48.49 -40.07 25.31 Favored 'General case' 0 N--CA 1.468 0.45 0 O-C-N 126.016 2.072 . . . . 71.44 113.492 -164.637 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -80.32 26.19 0.37 Allowed 'General case' 0 C--N 1.318 -0.77 0 CA-C-O 121.101 0.477 . . . . 73.43 110.467 -175.009 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.432 ' H ' ' C ' ' A' ' 22' ' ' HIS . 30.1 mm-40 66.59 28.21 9.34 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.266 -0.879 . . . . 72.53 109.921 176.638 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.492 ' HB2' ' OG ' ' A' ' 21' ' ' SER . 73.8 mmtt -86.28 -30.97 21.88 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.048 -0.978 . . . . 73.44 110.0 179.415 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.562 ' N ' ' HB3' ' A' ' 21' ' ' SER . 38.5 tp -153.79 150.69 28.73 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 120.308 -0.557 . . . . 74.42 111.554 -177.431 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -154.88 100.87 2.24 Favored 'General case' 0 C--O 1.234 0.266 0 O-C-N 123.46 0.475 . . . . 74.13 110.391 173.189 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 4.7 m -144.92 176.32 2.27 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.267 0 CA-C-O 121.397 0.617 . . . . 62.12 111.353 177.829 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.564 ' HA ' ' HA ' ' A' ' 18' ' ' ARG . 9.0 tttp -131.53 143.31 50.29 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.206 -0.907 . . . . 62.42 109.776 -179.594 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.776 ' HA ' ' H ' ' A' ' 44' ' ' THR . 0.0 OUTLIER -127.0 160.44 31.08 Favored 'General case' 0 C--O 1.259 1.567 0 CA-C-O 121.448 0.642 . . . . 64.12 110.942 177.554 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.421 ' HA ' ' HB3' ' A' ' 16' ' ' ASP . 60.0 m -157.73 127.01 5.86 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 114.631 -1.168 . . . . 75.34 110.819 -173.686 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.53 141.4 94.69 Favored Pre-proline 0 C--O 1.238 0.452 0 CA-C-N 116.004 -0.544 . . . . 52.21 111.102 178.56 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_endo -63.21 128.05 21.73 Favored 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 122.741 2.294 . . . . 73.33 112.056 -178.499 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.588 ' HB2' ' CA ' ' A' ' 40' ' ' GLY . 7.0 tpt180 -66.22 -16.48 64.04 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 115.958 -0.564 . . . . 50.12 110.365 -179.218 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -43.95 -51.03 7.95 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 115.336 -0.847 . . . . 75.14 111.928 -175.622 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 41.4 mt -98.01 -41.65 7.87 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.595 -0.73 . . . . 63.44 110.271 -175.003 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 166.28 45.47 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.361 0 CA-C-N 115.654 -0.703 . . . . 72.22 111.613 178.264 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -100.75 -134.09 8.39 Favored Glycine 0 C--N 1.331 0.3 0 C-N-CA 120.896 -0.669 . . . . 73.44 112.042 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -114.36 -27.68 7.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.454 0.169 . . . . 63.22 111.431 -177.559 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.588 ' CA ' ' HB2' ' A' ' 34' ' ' ARG . . . 60.52 34.17 84.61 Favored Glycine 0 C--N 1.333 0.368 0 C-N-CA 121.307 -0.473 . . . . 45.53 112.886 -175.589 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -96.36 158.75 15.29 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 110.409 -0.219 . . . . 44.21 110.409 -179.764 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.464 ' O ' ' HE3' ' A' ' 29' ' ' LYS . 10.3 pt-20 -66.17 79.32 0.09 Allowed 'General case' 0 CA--C 1.532 0.28 0 CA-C-O 121.822 0.82 . . . . 71.23 110.734 177.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -145.04 -173.83 16.69 Favored Glycine 0 N--CA 1.45 -0.428 0 CA-C-N 115.153 -0.93 . . . . 55.55 111.873 178.788 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.776 ' H ' ' HA ' ' A' ' 30' ' ' LEU . 25.6 m -104.65 159.23 15.94 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 110.37 -0.233 . . . . 74.01 110.37 -179.509 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.496 HD22 HG21 ' B' ' 7' ' ' THR . 94.7 m-20 -80.19 121.73 82.12 Favored Pre-proline 0 C--O 1.237 0.427 0 N-CA-C 109.735 -0.468 . . . . 72.33 109.735 173.587 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_exo -57.68 -46.12 28.95 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.703 2.269 . . . . 63.04 111.785 179.461 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -58.39 -36.16 73.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.435 -0.802 . . . . 62.13 110.26 179.156 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -65.99 -39.02 89.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.733 -0.667 . . . . 72.35 109.652 177.26 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.573 HD12 ' HA3' ' B' ' 53' ' ' GLY . 1.8 tm? -64.47 -42.76 95.73 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.47 -0.567 . . . . 71.11 109.47 -178.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 58.0 t80 -65.41 -45.42 84.03 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 116.416 -0.356 . . . . 64.45 110.836 176.68 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.14 -49.87 76.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.012 0.434 . . . . 52.03 110.865 179.198 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.621 ' HB1' ' HB1' ' B' ' 19' ' ' ALA . . . -64.59 -40.83 96.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.888 -0.596 . . . . 51.43 110.496 179.602 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.411 ' O ' ' SG ' ' A' ' 57' ' ' CYS . . . -65.16 -41.46 96.94 Favored Glycine 0 N--CA 1.45 -0.415 0 CA-C-N 115.798 -0.637 . . . . 45.35 112.399 178.404 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -66.26 -45.44 80.53 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 110.002 -0.37 . . . . 71.4 110.002 -179.224 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.468 ' HB3' ' HB2' ' A' ' 81' ' ' ALA . 17.6 p -63.45 -46.57 85.63 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.298 -0.41 . . . . 50.31 110.325 178.502 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.525 ' HB1' HD21 ' B' ' 30' ' ' LEU . . . -59.95 -45.71 91.76 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 116.27 -0.423 . . . . 72.41 110.632 177.645 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.411 ' SG ' ' O ' ' A' ' 53' ' ' GLY . 84.7 m -58.85 -36.39 74.49 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.926 -0.579 . . . . 74.4 110.349 177.204 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -57.18 -38.15 73.2 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 116.009 -0.541 . . . . 64.12 109.925 179.77 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.434 ' O ' ' HB2' ' A' ' 63' ' ' LYS . 4.2 mm? -69.01 -36.95 78.36 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 116.22 -0.445 . . . . 74.12 110.918 177.624 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 19.5 m -68.1 -45.82 72.66 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-O 120.842 0.353 . . . . 74.4 110.473 178.648 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.11 -51.15 60.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.078 -0.51 . . . . 64.15 110.524 -179.427 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 5.7 tpt -57.31 -32.5 66.74 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 115.903 -0.59 . . . . 61.32 110.052 178.352 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.593 ' HB2' ' HZ2' ' A' ' 63' ' ' LYS . 4.0 ttmp? -68.74 -48.94 62.51 Favored 'General case' 0 CA--C 1.529 0.15 0 CA-C-N 115.752 -0.658 . . . . 62.32 110.368 178.628 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 56.0 t80 -60.66 -41.22 94.58 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 116.226 -0.443 . . . . 70.35 110.055 179.217 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 53.9 t -56.32 -52.01 56.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 115.928 -0.578 . . . . 51.41 110.054 174.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -54.68 -35.57 63.71 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.962 -0.563 . . . . 55.45 110.243 177.311 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -68.51 -34.28 78.76 Favored Glycine 0 N--CA 1.449 -0.48 0 CA-C-N 115.197 -0.911 . . . . 65.01 112.194 -177.337 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 -93.15 -11.23 33.33 Favored 'General case' 0 C--N 1.332 -0.162 0 N-CA-C 108.965 -0.754 . . . . 73.33 108.965 -179.26 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -94.24 -0.64 54.97 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.045 -0.98 . . . . 73.35 110.733 176.402 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 3.1 mptp? 60.54 28.81 18.49 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 121.249 0.547 . . . . 70.5 111.391 177.755 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -123.07 162.42 22.46 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.517 -0.765 . . . . 65.11 110.308 179.036 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 17.6 p -126.06 138.1 53.68 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.92 -0.582 . . . . 71.13 109.722 177.199 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.437 HD12 ' H ' ' A' ' 73' ' ' LEU . 0.2 OUTLIER -109.19 147.3 35.68 Favored Pre-proline 0 C--N 1.326 -0.414 0 CA-C-N 116.533 -0.303 . . . . 63.13 110.488 -179.427 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_endo -56.07 126.62 23.0 Favored 'Trans proline' 0 C--N 1.35 0.646 0 C-N-CA 123.143 2.562 . . . . 75.32 112.74 -178.173 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -77.05 -1.74 30.49 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.322 0.582 . . . . 74.43 111.093 179.346 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -84.68 4.4 32.73 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.589 -0.732 . . . . 72.44 110.561 -179.682 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.517 ' HB ' HD12 ' A' ' 103' ' ' LEU . 10.2 t -79.63 167.41 20.73 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.599 -0.728 . . . . 73.42 112.203 -174.703 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -155.75 149.2 24.86 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 115.356 -0.838 . . . . 65.01 110.41 177.836 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 76.8 t -127.03 120.54 55.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 N-CA-C 109.184 -0.673 . . . . 73.54 109.184 174.026 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.418 ' HB ' ' HB3' ' A' ' 100' ' ' ARG . 20.7 m -98.14 113.95 26.01 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.901 -0.591 . . . . 61.0 110.15 -179.185 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.468 ' HB2' ' HB3' ' A' ' 55' ' ' SER . . . -101.62 106.45 17.51 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.107 -0.497 . . . . 75.0 110.012 179.403 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.556 ' HG2' ' HD3' ' B' ' 6' ' ' LYS . 42.5 tt0 -106.96 107.62 18.72 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.49 -0.559 . . . . 74.0 109.49 -179.056 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.41 ' HA ' ' HA ' ' A' ' 97' ' ' VAL . 7.7 p -105.56 139.08 27.82 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.336 0 CA-C-O 120.859 0.361 . . . . 74.25 110.985 -173.379 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.46 ' HA2' ' HA ' ' B' ' 6' ' ' LYS . . . -140.24 175.32 22.02 Favored Glycine 0 N--CA 1.446 -0.636 0 CA-C-N 116.267 -0.424 . . . . 64.22 112.677 -178.536 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -147.61 135.53 14.68 Favored 'Isoleucine or valine' 0 C--O 1.241 0.632 0 N-CA-C 109.208 -0.664 . . . . 71.32 109.208 -178.858 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -147.96 169.8 28.68 Favored Glycine 0 C--O 1.229 -0.217 0 N-CA-C 110.762 -0.935 . . . . 64.2 110.762 179.209 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.702 ' HD3' ' HG ' ' B' ' 4' ' ' LEU . 98.5 Cg_endo -79.49 140.84 15.37 Favored 'Trans proline' 0 N--CA 1.459 -0.524 0 C-N-CA 122.109 1.872 . . . . 75.13 112.287 -177.484 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' ASN . . . . . 0.401 ' OD1' ' N ' ' A' ' 89' ' ' GLU . 45.9 t-20 -89.34 148.07 23.73 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 108.475 -0.935 . . . . 63.43 108.475 176.046 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.401 ' N ' ' OD1' ' A' ' 88' ' ' ASN . 13.4 pt-20 -61.41 -14.74 30.52 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.004 0.43 . . . . 74.31 111.077 -179.061 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -67.13 -22.56 65.78 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 115.856 -0.611 . . . . 62.35 110.651 175.051 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.15 21.88 9.16 Favored Glycine 0 N--CA 1.454 -0.142 0 CA-C-N 115.691 -0.686 . . . . 52.42 112.017 -179.118 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -129.82 -150.47 6.99 Favored Glycine 0 N--CA 1.451 -0.365 0 N-CA-C 111.185 -0.766 . . . . 74.12 111.185 178.915 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -107.59 158.76 16.97 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.189 0.519 . . . . 72.25 111.045 178.864 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -144.48 128.93 17.97 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.215 -0.902 . . . . 73.43 108.807 178.912 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -97.29 141.31 30.55 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-O 121.133 0.492 . . . . 75.45 111.439 -175.568 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -133.16 150.81 52.0 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 114.901 -1.045 . . . . 62.1 109.061 -176.854 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.535 ' CG1' HG22 ' A' ' 134' ' ' VAL . 4.9 p -159.18 131.81 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-O 121.361 0.6 . . . . 41.42 110.939 174.24 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -103.75 121.41 42.94 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.184 -0.916 . . . . 51.52 109.918 -176.104 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 82.0 mt -101.09 106.48 17.75 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 109.713 -0.477 . . . . 73.33 109.713 176.026 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.494 ' HA ' HG13 ' A' ' 137' ' ' VAL . 15.1 ttt180 -102.21 104.0 14.54 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.434 -0.803 . . . . 73.43 109.32 -177.025 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 55.1 t -99.46 97.25 5.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.592 0.234 . . . . 72.23 110.858 -169.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -93.04 101.36 13.69 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.372 -0.376 . . . . 73.1 110.248 179.602 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.939 HD23 HD22 ' A' ' 106' ' ' LEU . 28.0 tp -113.98 117.83 43.37 Favored Pre-proline 0 C--O 1.236 0.343 0 N-CA-C 108.657 -0.868 . . . . 73.31 108.657 178.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 104' ' ' PRO . . . . . 0.541 ' HD2' HD12 ' A' ' 103' ' ' LEU . 61.4 Cg_endo -74.23 151.06 43.13 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.691 2.261 . . . . 73.52 112.331 -175.661 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 69.94 15.41 71.64 Favored Glycine 0 CA--C 1.521 0.415 0 CA-C-N 115.784 -0.644 . . . . 54.45 112.608 -179.032 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.939 HD22 HD23 ' A' ' 103' ' ' LEU . 34.4 tp -119.94 142.66 48.53 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 122.694 0.397 . . . . 65.03 111.266 -176.42 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 107' ' ' ASP . . . . . 0.412 ' HB3' ' H ' ' A' ' 110' ' ' ALA . 1.9 t70 -77.86 164.97 24.69 Favored 'General case' 0 CA--C 1.513 -0.463 0 CA-C-N 116.095 -0.502 . . . . 72.42 110.821 178.219 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.477 ' O ' ' HG3' ' A' ' 112' ' ' LYS . . . -68.81 -45.62 70.76 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.359 -0.837 . . . . 74.35 109.669 170.148 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -60.89 -46.24 91.42 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 115.516 -0.766 . . . . 64.13 111.049 -177.277 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 0.62 ' O ' HG22 ' A' ' 113' ' ' THR . . . -71.46 -42.11 68.56 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.813 -0.63 . . . . 73.25 110.322 178.682 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 111' ' ' ALA . . . . . 0.516 ' HA ' HD21 ' A' ' 106' ' ' LEU . . . -54.66 -42.99 71.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.253 -0.43 . . . . 54.13 111.401 178.938 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 112' ' ' LYS . . . . . 0.477 ' HG3' ' O ' ' A' ' 108' ' ' ALA . 55.3 mtpt -56.86 -36.54 70.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.484 -0.326 . . . . 74.23 111.862 -178.94 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 113' ' ' THR . . . . . 0.62 HG22 ' O ' ' A' ' 110' ' ' ALA . 1.9 t -81.26 -38.19 27.28 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 120.919 -0.312 . . . . 74.22 110.267 -179.026 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.479 ' HG ' ' O ' ' A' ' 110' ' ' ALA . 54.7 mt -63.91 -49.1 73.99 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 116.397 -0.365 . . . . 61.01 110.685 -177.915 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.51 HG21 HG12 ' A' ' 138' ' ' VAL . 85.3 t -64.58 -36.36 77.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 72.22 110.246 178.079 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -60.58 -52.86 63.36 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 116.118 -0.492 . . . . 63.5 110.872 -179.014 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 117' ' ' ARG . . . . . 0.433 ' HG2' ' O ' ' A' ' 113' ' ' THR . 15.4 ptm180 -69.69 -42.24 74.37 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-N 115.873 -0.603 . . . . 65.24 110.785 -177.153 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -59.99 -38.49 82.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.271 0.558 . . . . 63.41 110.199 176.694 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 119' ' ' HIS . . . . . 0.442 ' CE1' HG21 ' A' ' 128' ' ' THR . 43.8 t-80 -73.57 -24.79 60.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.645 -0.707 . . . . 74.13 110.268 177.007 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 34.7 t-80 -72.36 -37.05 68.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.054 -0.521 . . . . 75.14 110.142 178.1 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 28.0 m -92.16 1.85 8.66 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.414 0 CA-C-N 115.994 -0.548 . . . . 74.54 112.453 -178.891 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 122' ' ' CYS . . . . . 0.461 ' HA ' ' HD3' ' A' ' 123' ' ' PRO . 21.1 p -72.13 131.42 85.31 Favored Pre-proline 0 CA--C 1.535 0.4 0 C-N-CA 121.09 -0.244 . . . . 72.12 110.388 -179.408 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 123' ' ' PRO . . . . . 0.461 ' HD3' ' HA ' ' A' ' 122' ' ' CYS . 12.4 Cg_exo -71.45 7.77 1.4 Allowed 'Trans proline' 0 C--N 1.353 0.774 0 C-N-CA 123.166 2.577 . . . . 74.45 113.597 -176.514 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 26.9 m-85 -113.75 33.44 5.18 Favored 'General case' 0 N--CA 1.468 0.434 0 N-CA-C 109.207 -0.664 . . . . 65.44 109.207 178.659 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 125' ' ' SER . . . . . 0.624 ' O ' HG22 ' A' ' 128' ' ' THR . 8.0 p -57.15 -61.2 2.63 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 115.84 -0.618 . . . . 62.44 112.567 -174.477 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 126' ' ' ASN . . . . . 0.511 ' HB2' ' HB2' ' B' ' 131' ' ' ASN . 49.3 m-80 -58.5 -31.88 68.29 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-O 121.317 0.579 . . . . 73.42 109.915 178.782 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -80.71 6.08 13.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.352 -0.84 . . . . 54.1 112.033 -177.057 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 128' ' ' THR . . . . . 0.624 HG22 ' O ' ' A' ' 125' ' ' SER . 0.8 OUTLIER -109.87 -18.84 13.31 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.322 0.582 . . . . 73.21 110.112 -177.346 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 23.4 ptt180 -135.66 -48.54 0.69 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.717 -0.674 . . . . 72.04 112.089 -176.235 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 86.1 m-20 -73.85 -38.63 64.43 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.203 -0.453 . . . . 71.52 111.884 -173.551 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 131' ' ' ASN . . . . . 0.52 HD21 ' HA ' ' B' ' 123' ' ' PRO . 0.2 OUTLIER -90.73 -40.55 11.78 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.713 -0.395 . . . . 72.12 110.722 -178.408 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 30.1 m -139.46 175.3 7.6 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.195 0 CA-C-O 120.758 0.313 . . . . 70.22 110.962 -176.737 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -107.73 97.13 6.89 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.304 0.573 . . . . 45.42 110.727 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 134' ' ' VAL . . . . . 0.535 HG22 ' CG1' ' A' ' 97' ' ' VAL . 28.5 t -94.83 120.17 43.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 115.557 -0.747 . . . . 75.02 110.512 175.003 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 34.1 mmt180 -95.47 127.18 41.29 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.515 -0.55 . . . . 72.41 109.515 177.761 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 45.6 mt -95.58 123.87 39.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.911 0.386 . . . . 50.04 111.403 -178.667 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 137' ' ' VAL . . . . . 0.494 HG13 ' HA ' ' A' ' 100' ' ' ARG . 0.2 OUTLIER -133.92 128.33 53.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.57 -0.741 . . . . 74.42 110.011 177.415 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 138' ' ' VAL . . . . . 0.51 HG12 HG21 ' A' ' 115' ' ' VAL . 3.9 m -101.94 139.23 23.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.047 -0.524 . . . . 53.11 109.921 -179.802 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.317 -0.836 0 CA-C-N 115.979 -0.555 . . . . 73.13 110.903 -175.82 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 28.6 ptm . . . . . 0 C--O 1.232 0.168 0 CA-C-O 121.218 0.532 . . . . 72.42 110.798 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 2' ' ' ASN . . . . . 0.504 ' O ' ' HD2' ' A' ' 87' ' ' PRO . 35.7 t30 -96.23 85.07 3.89 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.554 -0.748 . . . . 61.35 109.8 -179.658 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 3' ' ' ILE . . . . . 0.541 HG21 ' HB2' ' B' ' 6' ' ' LYS . 28.1 mm -70.83 122.93 23.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 116.073 -0.512 . . . . 72.42 111.393 179.353 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.702 ' HG ' ' HD3' ' A' ' 87' ' ' PRO . 92.8 mt -83.64 -41.4 17.83 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.556 -0.747 . . . . 75.25 110.291 178.058 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 5' ' ' TYR . . . . . . . . . . . . . 49.8 t80 -140.69 133.23 28.59 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 116.102 -0.499 . . . . 75.45 110.197 -179.407 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 6' ' ' LYS . . . . . 0.556 ' HD3' ' HG2' ' A' ' 82' ' ' GLU . 30.7 ttmt -141.98 137.23 31.05 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.133 0.492 . . . . 65.01 110.882 177.657 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 7' ' ' THR . . . . . 0.496 HG21 HD22 ' A' ' 45' ' ' ASN . 7.0 t -129.69 137.76 50.78 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.384 -0.826 . . . . 72.52 109.065 -179.842 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 8' ' ' ALA . . . . . 0.467 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . . . -105.54 151.2 24.6 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.172 0.51 . . . . 64.22 111.549 -173.211 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 9' ' ' ALA . . . . . 0.432 ' HA ' ' H ' ' B' ' 22' ' ' HIS . . . -137.85 144.49 41.46 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.654 -0.703 . . . . 31.45 109.943 175.727 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 62.4 m -120.28 117.27 27.38 Favored 'General case' 0 N--CA 1.439 -1.008 0 N-CA-C 108.565 -0.902 . . . . 64.31 108.565 -178.194 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 70.6 m -116.0 114.77 25.05 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-N 115.793 -0.64 . . . . 74.14 110.969 -173.466 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 12' ' ' THR . . . . . 0.453 HG22 ' N ' ' B' ' 13' ' ' GLY . 15.8 m -98.93 164.35 12.23 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 116.004 -0.544 . . . . 53.42 111.079 -176.513 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 13' ' ' GLY . . . . . 0.453 ' N ' HG22 ' B' ' 12' ' ' THR . . . -94.34 74.42 1.05 Allowed Glycine 0 CA--C 1.519 0.328 0 N-CA-C 111.384 -0.686 . . . . 71.12 111.384 171.772 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -66.61 -95.82 0.03 OUTLIER Glycine 0 C--N 1.335 0.482 0 C-N-CA 121.072 -0.585 . . . . 73.4 112.403 179.141 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 8.1 mpt_? -88.2 -55.08 3.89 Favored 'General case' 0 N--CA 1.466 0.339 0 N-CA-C 109.329 -0.619 . . . . 65.14 109.329 174.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 16' ' ' ASP . . . . . 0.563 ' HB3' ' HA ' ' B' ' 31' ' ' SER . 20.2 t70 -125.68 -42.84 1.9 Allowed 'General case' 0 CA--C 1.514 -0.405 0 CA-C-N 115.748 -0.66 . . . . 65.33 109.469 172.591 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 17' ' ' GLY . . . . . 0.406 ' O ' ' HG3' ' B' ' 29' ' ' LYS . . . -161.31 160.67 32.38 Favored Glycine 0 N--CA 1.445 -0.706 0 CA-C-N 115.294 -0.866 . . . . 74.22 111.631 171.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 18' ' ' ARG . . . . . 0.621 ' HA ' ' HA ' ' B' ' 29' ' ' LYS . 51.1 ttt180 -139.09 151.68 46.91 Favored 'General case' 0 C--N 1.316 -0.852 0 N-CA-C 108.685 -0.857 . . . . 74.4 108.685 177.144 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 19' ' ' ALA . . . . . 0.621 ' HB1' ' HB1' ' A' ' 52' ' ' ALA . . . -142.65 123.79 14.55 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.788 -0.449 . . . . 64.21 109.788 178.711 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 56.5 m -132.82 110.62 10.47 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.53 -0.304 . . . . 75.11 110.535 -179.683 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 21' ' ' SER . . . . . 0.508 ' HB3' ' N ' ' B' ' 26' ' ' LEU . 43.6 t -64.27 107.1 1.23 Allowed 'General case' 0 C--O 1.247 0.928 0 N-CA-C 107.193 -1.41 . . . . 74.21 107.193 177.374 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 22' ' ' HIS . . . . . 0.432 ' H ' ' HA ' ' B' ' 9' ' ' ALA . 86.4 t60 -62.1 -10.99 11.77 Favored 'General case' 0 C--N 1.345 0.406 0 O-C-N 125.869 1.98 . . . . 73.12 111.749 -167.887 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 23' ' ' ASP . . . . . 0.458 ' HB3' ' HE3' ' B' ' 25' ' ' LYS . 1.3 m-20 -80.21 9.21 5.95 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.204 -0.665 . . . . 63.54 109.204 175.822 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 33.3 mm-40 71.48 17.45 5.71 Favored 'General case' 0 CA--C 1.518 -0.25 0 CA-C-N 115.095 -0.957 . . . . 71.43 109.907 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 25' ' ' LYS . . . . . 0.458 ' HE3' ' HB3' ' B' ' 23' ' ' ASP . 86.6 mttt -85.28 -27.87 25.7 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 115.131 -0.94 . . . . 41.25 111.747 -179.484 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 26' ' ' LEU . . . . . 0.508 ' N ' ' HB3' ' B' ' 21' ' ' SER . 39.9 tp -149.67 147.51 28.18 Favored 'General case' 0 CA--C 1.504 -0.797 0 C-N-CA 119.289 -0.964 . . . . 71.52 112.194 -176.449 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -154.96 100.75 2.22 Favored 'General case' 0 N--CA 1.442 -0.829 0 CA-C-N 115.089 -0.959 . . . . 53.33 109.901 177.296 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 3.1 m -144.9 178.04 1.61 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.407 0 CA-C-N 115.874 -0.603 . . . . 74.12 111.397 179.114 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 29' ' ' LYS . . . . . 0.621 ' HA ' ' HA ' ' B' ' 18' ' ' ARG . 1.0 OUTLIER -141.57 143.13 33.57 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.341 -0.845 . . . . 64.31 109.816 -179.812 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 30' ' ' LEU . . . . . 0.713 ' HA ' ' H ' ' B' ' 44' ' ' THR . 0.0 OUTLIER -123.56 154.13 39.66 Favored 'General case' 0 C--O 1.246 0.873 0 CA-C-O 121.239 0.542 . . . . 72.32 110.787 179.058 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 31' ' ' SER . . . . . 0.563 ' HA ' ' HB3' ' B' ' 16' ' ' ASP . 66.2 m -162.87 118.18 1.78 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 114.726 -1.125 . . . . 62.35 109.774 -175.934 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.32 131.53 90.21 Favored Pre-proline 0 C--O 1.236 0.367 0 CA-C-N 116.097 -0.501 . . . . 75.13 110.408 178.233 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 33' ' ' PRO . . . . . 0.585 ' HD2' ' OD1' ' B' ' 45' ' ' ASN . 11.6 Cg_endo -55.2 151.56 35.0 Favored 'Trans proline' 0 C--N 1.35 0.619 0 C-N-CA 122.552 2.168 . . . . 71.3 111.152 176.621 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 42.7 tpt85 -80.28 -1.16 39.66 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.358 -0.383 . . . . 71.43 110.774 -175.736 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 45.8 mm-40 -42.1 -54.82 3.45 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 115.419 -0.81 . . . . 72.42 112.957 -176.818 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 6.1 mp -95.93 -51.19 4.57 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.287 0.565 . . . . 63.52 109.677 -178.586 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 178.3 40.15 0.06 OUTLIER Glycine 0 N--CA 1.448 -0.559 0 CA-C-N 115.504 -0.771 . . . . 51.22 111.733 178.499 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -88.79 -130.6 3.74 Favored Glycine 0 C--N 1.333 0.386 0 C-N-CA 120.628 -0.796 . . . . 64.12 111.977 179.758 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -123.74 -14.47 7.23 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.474 0.178 . . . . 71.25 111.22 179.745 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 51.65 40.55 48.36 Favored Glycine 0 C--N 1.334 0.432 0 C-N-CA 121.351 -0.452 . . . . 53.13 112.679 -176.115 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -104.57 172.15 6.95 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.047 0.451 . . . . 45.11 111.105 -177.151 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 42' ' ' GLU . . . . . 0.499 ' O ' ' HE2' ' B' ' 29' ' ' LYS . 10.1 pt-20 -70.93 76.88 0.64 Allowed 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 115.435 -0.802 . . . . 74.14 111.165 179.409 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -155.43 -175.57 26.61 Favored Glycine 0 CA--C 1.521 0.413 0 C-N-CA 120.967 -0.635 . . . . 72.12 113.26 177.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 44' ' ' THR . . . . . 0.713 ' H ' ' HA ' ' B' ' 30' ' ' LEU . 22.2 m -105.58 162.89 13.1 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 123.16 0.584 . . . . 35.03 110.232 178.311 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 45' ' ' ASN . . . . . 0.585 ' OD1' ' HD2' ' B' ' 33' ' ' PRO . 17.4 t30 -85.81 138.55 35.31 Favored Pre-proline 0 CA--C 1.541 0.609 0 N-CA-C 109.886 -0.412 . . . . 71.14 109.886 -178.613 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 46' ' ' PRO . . . . . 0.487 ' HD2' ' OD1' ' B' ' 45' ' ' ASN . 18.5 Cg_endo -56.49 -57.0 1.61 Allowed 'Trans proline' 0 C--N 1.352 0.761 0 C-N-CA 123.422 2.748 . . . . 54.41 114.331 -172.605 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.08 -30.41 71.36 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 120.9 0.381 . . . . 73.03 110.353 -174.246 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -65.27 -41.89 93.77 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 109.234 -0.654 . . . . 65.22 109.234 175.087 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -59.91 -51.48 69.51 Favored 'General case' 0 C--O 1.239 0.502 0 CA-C-N 115.628 -0.714 . . . . 73.15 109.616 179.495 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 38.7 t80 -60.05 -44.73 94.49 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 116.427 -0.351 . . . . 74.53 110.611 177.302 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 51' ' ' ALA . . . . . 0.574 ' HB2' HG11 ' B' ' 83' ' ' VAL . . . -56.19 -50.11 72.14 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 116.42 -0.354 . . . . 63.22 111.22 179.525 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.26 -50.64 72.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.087 -0.506 . . . . 74.31 111.089 -179.766 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 53' ' ' GLY . . . . . 0.573 ' HA3' HD12 ' A' ' 49' ' ' LEU . . . -61.66 -45.1 96.99 Favored Glycine 0 C--N 1.332 0.346 0 C-N-CA 120.937 -0.649 . . . . 73.22 112.325 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -61.11 -53.22 59.75 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 122.825 0.45 . . . . 73.14 110.549 178.519 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 55' ' ' SER . . . . . 0.482 ' OG ' ' HB2' ' B' ' 81' ' ' ALA . 54.2 m -57.7 -48.42 79.61 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.684 0.278 . . . . 71.55 110.545 -178.291 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 56' ' ' ALA . . . . . 0.598 ' HB2' ' HB2' ' A' ' 19' ' ' ALA . . . -59.42 -41.22 89.03 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-O 120.982 0.42 . . . . 72.32 110.638 177.662 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 57' ' ' CYS . . . . . . . . . . . . . 39.2 t -62.88 -36.65 84.0 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.725 -0.67 . . . . 72.4 110.221 176.796 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 48.3 t80 -60.57 -40.2 90.82 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.059 -0.519 . . . . 52.32 110.313 -176.379 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -62.92 -46.5 87.52 Favored 'General case' 0 CA--C 1.53 0.189 0 CA-C-N 116.387 -0.369 . . . . 64.41 110.632 177.826 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 15.8 t -70.26 -41.81 72.99 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 116.554 -0.294 . . . . 73.23 110.935 -176.807 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -63.63 -46.93 83.45 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.34 -0.391 . . . . 44.1 110.126 178.478 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 62' ' ' MET . . . . . . . . . . . . . 5.4 tpt -57.83 -37.7 74.3 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 115.851 -0.613 . . . . 71.0 109.65 175.866 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 63' ' ' LYS . . . . . 0.452 ' HZ3' ' HB3' ' B' ' 63' ' ' LYS . 7.6 ttpm? -64.33 -45.45 87.82 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.349 -0.841 . . . . 72.03 110.491 178.142 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 79.2 t80 -66.89 -39.83 87.59 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 116.342 -0.39 . . . . 73.11 110.26 -179.701 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 46.5 t -55.39 -47.41 78.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 N-CA-C 109.621 -0.511 . . . . 75.05 109.621 174.808 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -56.86 -34.15 67.54 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.853 -0.612 . . . . 74.13 110.032 175.529 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -70.35 -35.39 69.25 Favored Glycine 0 N--CA 1.451 -0.364 0 CA-C-N 115.379 -0.828 . . . . 75.04 112.248 -177.003 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -90.57 -13.91 33.57 Favored 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 109.035 -0.728 . . . . 64.5 109.035 -178.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 69' ' ' ASN . . . . . 0.512 ' HB3' ' HG2' ' B' ' 71' ' ' GLN . 8.7 m-80 -93.12 0.07 57.13 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.076 -0.965 . . . . 65.21 110.382 174.597 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 60.35 26.84 16.38 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 115.99 -0.55 . . . . 73.12 111.424 175.627 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 71' ' ' GLN . . . . . 0.512 ' HG2' ' HB3' ' B' ' 69' ' ' ASN . 4.9 pt20 -119.62 164.94 15.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.62 -0.718 . . . . 74.24 110.103 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 21.5 p -127.7 131.61 49.73 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.018 0.437 . . . . 74.12 110.502 178.195 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -109.38 155.01 41.91 Favored Pre-proline 0 C--N 1.324 -0.528 0 CA-C-N 115.797 -0.638 . . . . 75.15 109.926 177.872 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 74' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_exo -57.91 133.09 53.65 Favored 'Trans proline' 0 C--N 1.35 0.61 0 C-N-CA 122.526 2.151 . . . . 62.01 112.341 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -72.51 -17.3 61.76 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.482 0.658 . . . . 71.53 111.154 177.771 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -87.63 25.27 1.51 Allowed 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.333 -0.849 . . . . 60.22 110.782 -171.317 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 77' ' ' THR . . . . . 0.545 ' CB ' HD22 ' B' ' 103' ' ' LEU . 4.0 t -94.73 156.66 16.29 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.841 -0.618 . . . . 73.25 110.389 178.217 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 60.4 m -148.25 150.31 33.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.979 0.419 . . . . 71.23 110.532 -179.499 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 70.2 t -127.63 127.44 68.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 N-CA-C 109.156 -0.683 . . . . 54.24 109.156 177.48 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 60.9 m -114.21 115.06 26.86 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.741 0.305 . . . . 72.42 110.744 -178.743 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 81' ' ' ALA . . . . . 0.482 ' HB2' ' OG ' ' B' ' 55' ' ' SER . . . -93.3 105.7 17.74 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.022 -0.535 . . . . 73.43 110.229 178.351 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 82' ' ' GLU . . . . . 0.51 ' HG2' ' HD3' ' A' ' 6' ' ' LYS . 29.4 tt0 -102.91 107.42 18.24 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 108.52 -0.918 . . . . 71.23 108.52 176.256 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 83' ' ' VAL . . . . . 0.574 HG11 ' HB2' ' B' ' 51' ' ' ALA . 30.4 m -110.82 144.14 19.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.932 -0.576 . . . . 71.44 111.373 -170.926 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 84' ' ' GLY . . . . . . . . . . . . . . . -144.03 156.59 26.77 Favored Glycine 0 N--CA 1.441 -1.002 0 CA-C-N 116.08 -0.509 . . . . 52.45 112.353 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 85' ' ' ILE . . . . . 0.523 HD11 ' CD2' ' B' ' 93' ' ' PHE . 0.0 OUTLIER -121.97 132.44 70.92 Favored 'Isoleucine or valine' 0 C--O 1.242 0.678 0 N-CA-C 108.831 -0.803 . . . . 73.1 108.831 176.596 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 86' ' ' GLY . . . . . 0.416 ' HA2' ' HG ' ' A' ' 4' ' ' LEU . . . -138.91 170.28 24.08 Favored Glycine 0 N--CA 1.453 -0.171 0 N-CA-C 111.028 -0.829 . . . . 52.3 111.028 -179.508 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 87' ' ' PRO . . . . . 0.701 ' HD3' ' HG ' ' A' ' 4' ' ' LEU . 37.1 Cg_endo -85.27 131.68 4.24 Favored 'Trans proline' 0 N--CA 1.452 -0.913 0 C-N-CA 122.465 2.11 . . . . 61.3 112.306 -176.794 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 88' ' ' ASN . . . . . . . . . . . . . 52.1 t-20 -79.13 141.84 36.93 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.381 -0.827 . . . . 72.3 109.319 178.622 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -61.99 -19.76 63.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.979 0.418 . . . . 65.22 110.985 -178.741 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -67.53 -20.98 65.49 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 116.014 -0.539 . . . . 74.05 110.613 176.294 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.27 35.43 3.37 Favored Glycine 0 N--CA 1.451 -0.301 0 CA-C-N 115.842 -0.617 . . . . 72.2 111.737 -177.283 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . -141.0 -145.2 4.55 Favored Glycine 0 N--CA 1.451 -0.325 0 N-CA-C 111.214 -0.755 . . . . 70.13 111.214 179.718 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 93' ' ' PHE . . . . . 0.523 ' CD2' HD11 ' B' ' 85' ' ' ILE . 42.6 m-85 -111.57 163.47 14.04 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.878 0.371 . . . . 73.12 110.497 178.78 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -148.28 126.91 12.48 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.434 -0.803 . . . . 62.21 109.201 178.341 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -98.17 129.47 44.94 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.106 0.479 . . . . 74.21 110.977 -176.864 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 96' ' ' ASP . . . . . 0.515 ' HB3' HD11 ' A' ' 3' ' ' ILE . 12.3 t70 -122.08 128.67 51.62 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.043 -0.98 . . . . 73.53 109.896 -178.139 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 97' ' ' VAL . . . . . 0.744 ' HB ' HG22 ' B' ' 134' ' ' VAL . 85.7 t -125.03 110.4 24.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 N-CA-C 110.175 -0.306 . . . . 65.34 110.175 177.427 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -94.1 101.99 14.03 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 108.703 -0.851 . . . . 74.42 108.703 177.092 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 17.7 tp -100.43 111.86 24.16 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 115.96 -0.564 . . . . 61.12 110.357 -171.607 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 100' ' ' ARG . . . . . 0.555 ' HA ' ' O ' ' B' ' 137' ' ' VAL . 71.7 mtt85 -98.92 123.03 42.92 Favored 'General case' 0 CA--C 1.52 -0.193 0 CA-C-N 116.139 -0.482 . . . . 64.11 111.288 -176.719 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 101' ' ' VAL . . . . . . . . . . . . . 83.1 t -106.19 108.36 24.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.506 -0.77 . . . . 60.12 110.588 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 102' ' ' ALA . . . . . 0.516 ' HA ' ' HB3' ' B' ' 139' ' ' ALA . . . -104.17 101.13 10.88 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.971 -0.381 . . . . 53.32 109.971 176.458 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 103' ' ' LEU . . . . . 0.583 ' HB3' HD23 ' B' ' 106' ' ' LEU . 0.3 OUTLIER -114.41 114.69 45.15 Favored Pre-proline 0 C--N 1.327 -0.375 0 N-CA-C 108.787 -0.82 . . . . 72.24 108.787 179.824 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 104' ' ' PRO . . . . . 0.436 ' HD2' ' HB ' ' B' ' 77' ' ' THR . 57.2 Cg_endo -70.41 148.92 61.89 Favored 'Trans proline' 0 C--O 1.234 0.285 0 C-N-CA 122.492 2.128 . . . . 74.24 112.438 -179.298 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 105' ' ' GLY . . . . . . . . . . . . . . . 70.71 14.86 73.06 Favored Glycine 0 CA--C 1.517 0.201 0 CA-C-N 115.515 -0.766 . . . . 72.34 112.759 -179.169 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 106' ' ' LEU . . . . . 0.583 HD23 ' HB3' ' B' ' 103' ' ' LEU . 25.1 tp -124.69 137.87 54.33 Favored 'General case' 0 C--O 1.238 0.458 0 CA-C-O 120.985 0.422 . . . . 60.53 110.908 -177.54 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -73.91 143.21 45.85 Favored 'General case' 0 CA--C 1.519 -0.233 0 CA-C-N 115.649 -0.705 . . . . 63.12 110.022 176.504 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 108' ' ' ALA . . . . . 0.536 ' O ' ' HG3' ' B' ' 112' ' ' LYS . . . -62.69 -37.34 86.07 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.966 0.412 . . . . 34.32 110.641 176.932 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -59.68 -49.7 76.72 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.853 -0.612 . . . . 64.51 110.658 178.525 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 110' ' ' ALA . . . . . 0.564 ' O ' HG22 ' B' ' 113' ' ' THR . . . -66.67 -42.72 86.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.785 -0.643 . . . . 72.03 110.036 178.144 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 111' ' ' ALA . . . . . 0.406 ' O ' HG23 ' B' ' 115' ' ' VAL . . . -55.34 -37.52 67.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.736 -0.666 . . . . 64.14 110.986 -179.719 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 112' ' ' LYS . . . . . 0.536 ' HG3' ' O ' ' B' ' 108' ' ' ALA . 63.6 mttp -52.08 -44.2 64.25 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 116.331 -0.395 . . . . 74.45 111.02 177.813 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 113' ' ' THR . . . . . 0.564 HG22 ' O ' ' B' ' 110' ' ' ALA . 1.9 t -82.06 -36.88 27.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.801 0.334 . . . . 72.03 110.718 -177.18 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 114' ' ' LEU . . . . . 0.487 ' HG ' ' O ' ' B' ' 110' ' ' ALA . 47.3 mt -61.91 -47.43 84.96 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.246 -0.434 . . . . 70.23 110.507 -178.285 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 115' ' ' VAL . . . . . 0.407 HG21 HG12 ' B' ' 138' ' ' VAL . 78.7 t -65.91 -34.23 68.88 Favored 'Isoleucine or valine' 0 C--O 1.237 0.434 0 CA-C-N 115.99 -0.55 . . . . 63.55 110.432 179.485 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -63.92 -57.79 8.71 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 115.911 -0.586 . . . . 75.43 110.452 -179.659 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 117' ' ' ARG . . . . . . . . . . . . . 13.6 ptm180 -64.93 -35.55 81.53 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 115.966 -0.561 . . . . 70.2 110.358 -177.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -59.34 -40.47 86.47 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.052 -0.522 . . . . 61.11 109.674 174.738 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 119' ' ' HIS . . . . . 0.551 ' HB3' ' HD2' ' B' ' 129' ' ' ARG . 15.5 m80 -73.67 1.24 10.66 Favored 'General case' 0 N--CA 1.455 -0.201 0 CA-C-N 115.904 -0.589 . . . . 74.31 112.322 178.038 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -108.55 -33.52 7.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.849 0.357 . . . . 61.52 110.479 176.859 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 34.8 m -94.4 -39.34 10.26 Favored 'Isoleucine or valine' 0 C--O 1.234 0.286 0 N-CA-C 112.071 0.397 . . . . 63.42 112.071 -176.097 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 122' ' ' CYS . . . . . 0.405 ' HA ' ' HD3' ' B' ' 123' ' ' PRO . 68.8 m -76.92 140.75 67.17 Favored Pre-proline 0 C--O 1.238 0.448 0 CA-C-O 120.4 0.143 . . . . 74.53 111.039 -176.536 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 123' ' ' PRO . . . . . 0.52 ' HA ' HD21 ' A' ' 131' ' ' ASN . 48.2 Cg_exo -56.75 162.43 8.64 Favored 'Trans proline' 0 C--N 1.353 0.811 0 C-N-CA 122.809 2.339 . . . . 65.25 111.727 176.526 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 124' ' ' TYR . . . . . . . . . . . . . 79.4 m-85 . . . . . 0 N--CA 1.473 0.675 0 C-N-CA 123.449 0.7 . . . . 65.35 110.531 -177.473 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 128' ' ' THR . . . . . 0.41 ' O ' ' HB ' ' B' ' 132' ' ' VAL . 1.1 t . . . . . 0 C--O 1.223 -0.292 0 N-CA-C 109.751 -0.463 . . . . 55.14 109.751 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 129' ' ' ARG . . . . . 0.551 ' HD2' ' HB3' ' B' ' 119' ' ' HIS . 12.3 ptm180 -105.48 -47.96 3.8 Favored 'General case' 0 N--CA 1.455 -0.198 0 N-CA-C 109.512 -0.551 . . . . 75.21 109.512 -175.878 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 130' ' ' ASN . . . . . . . . . . . . . 63.6 m-80 -78.97 -21.36 47.23 Favored 'General case' 0 N--CA 1.455 -0.188 0 CA-C-N 116.111 -0.495 . . . . 74.14 111.078 178.162 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 131' ' ' ASN . . . . . 0.511 ' HB2' ' HB2' ' A' ' 126' ' ' ASN . 6.6 t30 -100.97 -43.99 5.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 75.43 110.879 -177.939 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 132' ' ' VAL . . . . . 0.413 HG12 ' N ' ' B' ' 133' ' ' ALA . 13.4 t -112.09 161.75 10.54 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.279 0 CA-C-N 116.073 -0.512 . . . . 52.13 110.192 -174.186 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 133' ' ' ALA . . . . . 0.413 ' N ' HG12 ' B' ' 132' ' ' VAL . . . -91.68 81.33 5.28 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.92 0.866 . . . . 72.23 110.223 177.57 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 134' ' ' VAL . . . . . 0.744 HG22 ' HB ' ' B' ' 97' ' ' VAL . 97.2 t -103.61 112.17 36.07 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.723 0 CA-C-N 114.66 -1.155 . . . . 61.1 110.428 178.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 24.6 mmm180 -78.55 108.15 11.74 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.741 -0.663 . . . . 74.32 109.316 174.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 75.3 mt -78.19 122.2 25.35 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.859 -0.61 . . . . 72.41 110.454 179.361 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 137' ' ' VAL . . . . . 0.555 ' O ' ' HA ' ' B' ' 100' ' ' ARG . 0.3 OUTLIER -132.16 116.87 30.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.448 -0.796 . . . . 72.22 110.127 -179.546 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 138' ' ' VAL . . . . . 0.407 HG12 HG21 ' B' ' 115' ' ' VAL . 3.6 m -94.61 138.55 20.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.583 -0.735 . . . . 70.52 109.6 179.747 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 139' ' ' ALA . . . . . 0.516 ' HB3' ' HA ' ' B' ' 102' ' ' ALA . . . . . . . . 0 C--O 1.251 1.159 0 CA-C-O 118.47 -0.776 . . . . 71.35 110.771 -175.696 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.457 ' SD ' ' HB2' ' B' ' 96' ' ' ASP . 25.4 ptm . . . . . 0 N--CA 1.486 1.335 0 CA-C-O 120.994 0.426 . . . . 71.43 110.663 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 2' ' ' ASN . . . . . 0.456 ' O ' ' HA3' ' B' ' 86' ' ' GLY . 41.2 t30 -89.36 84.43 6.45 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.65 -0.705 . . . . 75.52 109.584 -178.609 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.53 HG21 ' HB2' ' A' ' 6' ' ' LYS . 28.4 mm -75.33 133.64 30.96 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-N 115.944 -0.571 . . . . 51.02 112.131 -179.385 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.803 ' HG ' ' HD3' ' B' ' 87' ' ' PRO . 87.2 mt -91.75 -44.5 8.95 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 114.959 -1.019 . . . . 74.21 109.657 171.938 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 22.5 t80 -138.94 126.57 21.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.651 -0.704 . . . . 54.43 110.098 -176.092 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.53 ' HB2' HG21 ' A' ' 3' ' ' ILE . 30.5 ttmt -140.21 133.88 30.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.912 0.387 . . . . 62.42 110.408 176.522 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.527 HG23 ' OE1' ' B' ' 48' ' ' GLN . 11.1 t -131.02 167.18 19.49 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.657 -0.702 . . . . 73.02 109.545 177.178 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.459 ' HA ' ' HA ' ' B' ' 82' ' ' GLU . . . -135.78 149.67 49.21 Favored 'General case' 0 C--O 1.238 0.452 0 CA-C-O 121.288 0.566 . . . . 64.34 111.624 -174.336 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.428 ' CB ' ' HA ' ' A' ' 21' ' ' SER . . . -140.46 139.69 35.22 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.807 -0.633 . . . . 65.14 110.447 176.674 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 8.8 t -103.04 131.14 50.24 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.606 -0.516 . . . . 73.43 109.606 176.58 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 29.4 t -122.67 113.45 19.24 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.118 0.485 . . . . 71.32 110.718 -178.372 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.508 ' HB ' ' HB3' ' A' ' 18' ' ' ARG . 6.0 m -91.78 166.91 12.52 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.945 -0.571 . . . . 72.12 109.614 177.005 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -82.73 14.1 38.63 Favored Glycine 0 CA--C 1.523 0.584 0 C-N-CA 120.851 -0.69 . . . . 62.44 112.501 175.63 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.409 ' CA ' ' HB2' ' A' ' 18' ' ' ARG . . . 30.34 -129.63 0.14 Allowed Glycine 0 C--N 1.344 0.983 0 O-C-N 123.86 0.388 . . . . 62.02 112.889 -174.649 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 6.2 tmm_? -88.82 -36.2 16.18 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 107.488 -1.301 . . . . 73.04 107.488 163.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -126.07 -42.42 1.87 Allowed 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 115.951 -0.568 . . . . 74.22 110.858 170.332 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.432 ' O ' ' HG3' ' A' ' 29' ' ' LYS . . . -159.45 153.57 24.62 Favored Glycine 0 C--N 1.349 1.292 0 C-N-CA 120.763 -0.732 . . . . 73.12 111.565 169.051 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.516 ' HA ' ' HA ' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -150.0 128.55 12.28 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.599 -0.519 . . . . 73.24 109.599 -176.316 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -133.21 133.2 42.44 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 117.843 0.292 . . . . 71.12 111.302 -178.429 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.407 HG23 ' O ' ' A' ' 26' ' ' LEU . 56.2 m -142.8 118.84 10.68 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.382 -0.372 . . . . 63.53 110.676 -178.777 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.439 ' CB ' ' HB3' ' A' ' 26' ' ' LEU . 28.4 t -81.53 118.63 22.9 Favored 'General case' 0 C--O 1.249 1.045 0 N-CA-C 108.857 -0.794 . . . . 62.3 108.857 175.864 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.449 ' C ' ' H ' ' A' ' 24' ' ' GLN . 13.2 t60 -50.9 -27.66 8.01 Favored 'General case' 0 N--CA 1.469 0.503 0 O-C-N 126.029 2.08 . . . . 71.44 113.219 -165.4 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.411 ' HB2' ' HE3' ' A' ' 25' ' ' LYS . 4.0 m-20 -80.02 22.15 0.53 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.957 0.408 . . . . 73.43 109.942 -176.452 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.449 ' H ' ' C ' ' A' ' 22' ' ' HIS . 29.0 mm-40 60.57 20.66 10.5 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 115.436 -0.802 . . . . 72.53 109.704 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.411 ' HE3' ' HB2' ' A' ' 23' ' ' ASP . 9.2 ptpp? -93.4 -20.4 20.36 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 116.015 -0.539 . . . . 73.44 109.869 -176.538 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.439 ' HB3' ' CB ' ' A' ' 21' ' ' SER . 61.3 tp -141.34 140.7 33.81 Favored 'General case' 0 C--N 1.342 0.273 0 C-N-CA 120.275 -0.57 . . . . 74.42 110.286 174.658 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -161.77 96.46 1.03 Allowed 'General case' 0 C--N 1.331 -0.234 0 O-C-N 123.528 0.517 . . . . 74.13 109.959 176.296 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 2.9 m -146.24 178.28 1.22 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.417 0 CA-C-O 121.304 0.574 . . . . 62.12 111.817 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.516 ' HA ' ' HA ' ' A' ' 18' ' ' ARG . 45.6 tttt -142.46 141.17 32.13 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 114.848 -1.069 . . . . 62.42 109.554 179.652 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.574 ' N ' HD13 ' A' ' 30' ' ' LEU . 0.0 OUTLIER -132.98 175.03 9.73 Favored 'General case' 0 C--O 1.258 1.527 0 CA-C-O 121.277 0.56 . . . . 64.12 112.079 -178.206 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.444 ' HB2' ' HB3' ' A' ' 41' ' ' ALA . 51.1 m -155.48 154.01 31.16 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 114.675 -1.148 . . . . 75.34 111.276 -179.177 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -75.01 147.85 83.99 Favored Pre-proline 0 CA--C 1.54 0.58 0 CA-C-N 116.059 -0.519 . . . . 52.21 111.603 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -61.82 141.68 90.95 Favored 'Trans proline' 0 C--N 1.356 0.925 0 C-N-CA 122.955 2.437 . . . . 73.33 112.298 -178.868 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.547 ' HB2' ' HA3' ' A' ' 40' ' ' GLY . 9.0 tpt180 -71.06 -35.59 71.98 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.226 -0.443 . . . . 50.12 111.608 -176.411 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -57.59 -24.81 58.36 Favored 'General case' 0 N--CA 1.466 0.348 0 N-CA-C 112.942 0.719 . . . . 75.14 112.942 -170.397 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.453 HD22 ' N ' ' A' ' 36' ' ' LEU . 1.2 mm? -99.73 19.88 15.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.978 0.418 . . . . 63.44 110.321 -179.096 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 86.33 30.28 22.62 Favored Glycine 0 N--CA 1.452 -0.272 0 CA-C-N 115.989 -0.551 . . . . 72.22 111.914 -176.868 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -98.91 -133.12 7.94 Favored Glycine 0 N--CA 1.453 -0.216 0 C-N-CA 121.314 -0.47 . . . . 73.44 112.398 -178.339 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -119.67 -26.93 5.59 Favored 'General case' 0 N--CA 1.465 0.307 0 N-CA-C 112.214 0.45 . . . . 63.22 112.214 -175.845 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.547 ' HA3' ' HB2' ' A' ' 34' ' ' ARG . . . 50.15 40.46 36.68 Favored Glycine 0 N--CA 1.461 0.358 0 C-N-CA 121.613 -0.327 . . . . 45.53 113.421 -173.212 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.444 ' HB3' ' HB2' ' A' ' 31' ' ' SER . . . -72.47 167.96 19.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.654 0.264 . . . . 44.21 110.658 179.432 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -83.47 37.98 0.6 Allowed 'General case' 0 CA--C 1.534 0.34 0 CA-C-O 121.25 0.548 . . . . 71.23 111.35 -177.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -106.49 -136.46 8.33 Favored Glycine 0 N--CA 1.452 -0.269 0 N-CA-C 111.071 -0.812 . . . . 55.55 111.071 177.099 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.485 ' OG1' ' HB3' ' A' ' 30' ' ' LEU . 82.2 p -129.53 167.48 17.83 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.783 -0.451 . . . . 74.01 109.783 176.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 11.9 m120 -100.91 138.53 20.05 Favored Pre-proline 0 C--N 1.328 -0.343 0 N-CA-C 109.876 -0.416 . . . . 72.33 109.876 179.551 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -55.66 -47.71 24.01 Favored 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 122.855 2.37 . . . . 63.04 112.435 -178.356 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.2 mp0 -63.6 -38.63 91.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.887 -0.597 . . . . 62.13 110.249 -179.468 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -66.75 -37.78 85.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.568 -0.742 . . . . 72.35 109.648 178.15 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.561 HD12 ' HA3' ' B' ' 53' ' ' GLY . 2.2 tm? -64.56 -49.53 70.85 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 115.809 -0.632 . . . . 71.11 109.586 -179.828 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 35.6 t80 -60.48 -45.07 95.08 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 116.235 -0.439 . . . . 64.45 110.383 177.121 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.41 ' HB2' HG11 ' A' ' 83' ' ' VAL . . . -51.97 -53.02 46.31 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.233 -0.44 . . . . 52.03 111.229 177.008 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.59 ' HB1' ' HB1' ' B' ' 19' ' ' ALA . . . -65.74 -46.3 79.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.78 -0.645 . . . . 51.43 111.186 -178.095 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.466 ' HA3' HD12 ' B' ' 49' ' ' LEU . . . -64.42 -39.83 97.25 Favored Glycine 0 C--O 1.225 -0.409 0 CA-C-N 115.826 -0.624 . . . . 45.35 112.362 -178.591 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -69.21 -47.53 64.58 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 122.702 0.401 . . . . 71.4 110.534 -179.276 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 27.8 p -60.21 -48.88 79.84 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.806 0.336 . . . . 50.31 110.227 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.467 ' HB1' HD21 ' B' ' 30' ' ' LEU . . . -61.58 -41.47 97.45 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.023 -0.535 . . . . 72.41 110.677 176.576 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 52.9 t -62.95 -36.26 82.88 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 115.977 -0.556 . . . . 74.4 110.356 179.311 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.487 ' HE2' ' HA ' ' A' ' 123' ' ' PRO . 27.5 t80 -67.64 -30.64 70.25 Favored 'General case' 0 N--CA 1.454 -0.225 0 CA-C-N 116.113 -0.494 . . . . 64.12 109.681 -178.069 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.461 HD21 HG23 ' A' ' 79' ' ' VAL . 96.1 mt -65.62 -51.43 59.71 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.905 -0.588 . . . . 74.12 109.768 175.2 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 15.5 m -57.79 -40.92 81.04 Favored 'General case' 0 C--O 1.237 0.418 0 CA-C-O 121.306 0.574 . . . . 74.4 110.401 176.717 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.401 ' O ' HG23 ' A' ' 65' ' ' VAL . . . -61.48 -47.0 87.65 Favored 'General case' 0 C--O 1.223 -0.342 0 CA-C-N 115.699 -0.682 . . . . 64.15 110.054 177.623 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.94 -38.54 86.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.479 -0.328 . . . . 61.32 110.637 177.685 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 28.9 tptp -58.72 -50.95 72.02 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-N 115.964 -0.562 . . . . 62.32 110.312 178.285 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.419 ' CZ ' ' HE1' ' B' ' 93' ' ' PHE . 51.6 t80 -69.79 -46.39 65.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.898 -0.592 . . . . 70.35 111.115 -178.394 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.401 HG23 ' O ' ' A' ' 61' ' ' ALA . 42.0 t -55.22 -44.53 75.33 Favored 'Isoleucine or valine' 0 C--O 1.238 0.451 0 CA-C-N 116.288 -0.415 . . . . 51.41 110.757 179.453 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.404 ' HA ' ' HG3' ' A' ' 71' ' ' GLN . . . -57.34 -31.9 66.19 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.143 -0.481 . . . . 55.45 110.224 177.741 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -72.79 -29.52 65.17 Favored Glycine 0 N--CA 1.452 -0.268 0 CA-C-N 115.488 -0.778 . . . . 65.01 112.521 -178.152 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -96.86 -11.67 24.51 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.286 0.565 . . . . 73.33 109.555 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 16.7 m-80 -100.98 3.83 41.93 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.276 -0.874 . . . . 73.35 110.518 175.788 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 34.4 mmtt 60.8 23.99 13.93 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 115.196 -0.911 . . . . 70.5 111.041 172.284 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.404 ' HG3' ' HA ' ' A' ' 66' ' ' ALA . 4.8 pt20 -116.63 167.36 11.15 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.863 -0.608 . . . . 65.11 110.349 -178.602 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 15.7 p -131.51 124.72 30.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.831 0.348 . . . . 71.13 111.104 -179.401 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -109.55 140.45 22.14 Favored Pre-proline 0 C--N 1.324 -0.528 0 CA-C-N 115.636 -0.711 . . . . 63.13 110.144 177.891 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.426 ' HG2' ' O ' ' A' ' 104' ' ' PRO . 48.7 Cg_exo -57.47 126.76 22.95 Favored 'Trans proline' 0 C--N 1.348 0.537 0 C-N-CA 122.817 2.344 . . . . 75.32 112.441 -177.295 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -77.29 -1.78 31.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.225 0.536 . . . . 74.43 111.334 -179.331 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -85.76 14.61 5.66 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 121.607 0.717 . . . . 72.44 110.652 -178.72 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.495 ' HB ' HD23 ' A' ' 103' ' ' LEU . 6.8 t -88.62 168.28 12.67 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-N 115.692 -0.686 . . . . 73.42 112.111 -174.481 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 32.0 m -153.0 149.8 28.55 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 115.411 -0.813 . . . . 65.01 109.631 179.733 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.461 HG23 HD21 ' A' ' 59' ' ' LEU . 69.8 t -128.6 118.94 48.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 121.133 0.492 . . . . 73.54 109.945 176.04 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.502 ' HA ' ' HA ' ' B' ' 10' ' ' THR . 9.1 m -98.82 108.63 21.37 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 116.29 -0.414 . . . . 61.0 110.309 179.734 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -93.61 106.7 18.65 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.935 -0.575 . . . . 75.0 109.828 178.024 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.48 ' HG2' ' HD3' ' B' ' 6' ' ' LYS . 32.5 tt0 -109.84 108.71 19.12 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.401 -0.592 . . . . 74.0 109.401 -178.849 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.452 HG12 HG22 ' A' ' 97' ' ' VAL . 22.3 m -104.66 144.53 14.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 121.107 0.48 . . . . 74.25 111.229 -174.03 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -139.79 164.01 26.13 Favored Glycine 0 N--CA 1.441 -0.974 0 CA-C-N 115.51 -0.768 . . . . 64.22 111.762 179.531 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.43 HD11 ' CD2' ' A' ' 93' ' ' PHE . 0.0 OUTLIER -139.39 130.52 33.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 N-CA-C 109.272 -0.64 . . . . 71.32 109.272 -179.699 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 86' ' ' GLY . . . . . 0.445 ' HA2' ' HG ' ' B' ' 4' ' ' LEU . . . -144.19 169.89 26.15 Favored Glycine 0 CA--C 1.516 0.145 0 CA-C-N 115.398 -0.819 . . . . 64.2 111.119 179.058 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.686 ' HD3' ' HG ' ' B' ' 4' ' ' LEU . 88.3 Cg_endo -81.84 141.84 12.28 Favored 'Trans proline' 0 N--CA 1.458 -0.564 0 C-N-CA 122.249 1.966 . . . . 75.13 111.752 -179.075 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' ASN . . . . . 0.496 ' HB3' ' HB2' ' A' ' 94' ' ' ALA . 31.0 p30 -101.16 165.66 11.18 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.324 -0.398 . . . . 63.43 110.224 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -68.41 -13.1 62.06 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 116.493 -0.322 . . . . 74.31 111.416 -176.714 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -73.72 -24.84 59.97 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-O 121.05 0.452 . . . . 62.35 110.258 175.89 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.14 17.26 16.45 Favored Glycine 0 C--N 1.33 0.208 0 CA-C-N 115.855 -0.611 . . . . 52.42 112.192 -179.567 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -121.34 -152.18 8.71 Favored Glycine 0 N--CA 1.45 -0.43 0 N-CA-C 111.225 -0.75 . . . . 74.12 111.225 177.516 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.43 ' CD2' HD11 ' A' ' 85' ' ' ILE . 39.5 m-85 -104.47 157.34 17.22 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.934 0.397 . . . . 72.25 110.64 179.268 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.496 ' HB2' ' HB3' ' A' ' 88' ' ' ASN . . . -143.21 135.07 26.74 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.789 -0.641 . . . . 73.43 109.38 177.789 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -100.72 137.5 39.03 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.108 0.48 . . . . 75.45 111.251 -175.896 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -121.37 115.32 22.7 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.095 -0.957 . . . . 62.1 109.255 178.507 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.452 HG22 HG12 ' A' ' 83' ' ' VAL . 49.6 t -115.29 110.71 32.89 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 CA-C-O 120.889 0.376 . . . . 41.42 110.665 -178.33 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.433 ' HG2' ' HE ' ' A' ' 135' ' ' ARG . 47.2 mt-10 -93.42 111.19 22.78 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.812 -0.44 . . . . 51.52 109.812 176.751 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 72.4 mt -97.76 106.4 18.7 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.279 -0.637 . . . . 73.33 109.279 175.9 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.534 ' HA ' ' O ' ' A' ' 137' ' ' VAL . 71.2 mtt180 -101.6 109.78 21.65 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.047 -0.524 . . . . 73.43 110.019 -177.277 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 39.1 t -99.44 100.06 9.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 116.196 -0.456 . . . . 72.23 110.314 -174.22 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -91.65 101.34 13.97 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.555 -0.535 . . . . 73.1 109.555 179.481 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.495 HD23 ' HB ' ' A' ' 77' ' ' THR . 7.1 mt -114.02 118.94 41.73 Favored Pre-proline 0 C--N 1.327 -0.411 0 CA-C-N 115.33 -0.85 . . . . 73.31 110.322 -176.529 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' PRO . . . . . 0.426 ' O ' ' HG2' ' A' ' 74' ' ' PRO . 84.4 Cg_endo -80.26 155.44 22.22 Favored 'Trans proline' 0 N--CA 1.458 -0.596 0 C-N-CA 122.73 2.287 . . . . 73.52 111.986 179.743 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 64.57 15.17 59.13 Favored Glycine 0 CA--C 1.523 0.55 0 CA-C-N 115.809 -0.632 . . . . 54.45 112.819 -179.464 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.467 HD21 ' HA ' ' A' ' 111' ' ' ALA . 28.1 tp -129.49 140.7 51.2 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 122.797 0.439 . . . . 65.03 110.286 -176.732 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -73.98 162.54 28.94 Favored 'General case' 0 CA--C 1.51 -0.579 0 CA-C-N 116.346 -0.388 . . . . 72.42 111.058 -179.752 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -65.43 -45.51 83.56 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.532 -0.758 . . . . 74.35 110.042 170.826 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -63.43 -48.88 75.95 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 115.664 -0.698 . . . . 64.13 110.842 -176.113 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 0.585 ' O ' HG22 ' A' ' 113' ' ' THR . . . -67.28 -43.76 81.01 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.638 -0.71 . . . . 73.25 109.781 179.646 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 111' ' ' ALA . . . . . 0.467 ' HA ' HD21 ' A' ' 106' ' ' LEU . . . -54.61 -42.73 71.49 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 115.998 -0.546 . . . . 54.13 111.382 178.901 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 12.3 mmmm -53.42 -48.99 68.23 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 116.345 -0.389 . . . . 74.23 110.953 177.359 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 113' ' ' THR . . . . . 0.585 HG22 ' O ' ' A' ' 110' ' ' ALA . 1.0 OUTLIER -72.38 -33.42 67.2 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.153 -0.476 . . . . 74.22 110.878 -176.018 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.547 ' HG ' ' O ' ' A' ' 110' ' ' ALA . 43.8 mt -67.93 -48.73 65.12 Favored 'General case' 0 N--CA 1.462 0.139 0 CA-C-N 116.437 -0.347 . . . . 61.01 110.612 -179.212 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.419 HG21 HG12 ' A' ' 138' ' ' VAL . 97.6 t -62.34 -37.05 77.7 Favored 'Isoleucine or valine' 0 C--O 1.242 0.684 0 CA-C-O 120.931 0.396 . . . . 72.22 110.116 177.739 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -59.05 -61.0 2.97 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 115.382 -0.826 . . . . 63.5 110.715 179.275 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 1.7 ptm180 -64.42 -35.33 80.55 Favored 'General case' 0 N--CA 1.456 -0.137 0 CA-C-N 116.02 -0.536 . . . . 65.24 110.549 -176.443 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -58.3 -48.91 78.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.043 -0.526 . . . . 63.41 110.497 177.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 63.7 m80 -76.16 -11.44 59.93 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 116.283 -0.417 . . . . 74.13 111.232 178.864 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 19.2 t-80 -87.32 -32.91 19.4 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.195 -0.457 . . . . 75.14 110.864 179.372 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.449 HG23 ' N ' ' A' ' 122' ' ' CYS . 28.0 m -89.99 -52.76 10.19 Favored 'Isoleucine or valine' 0 C--O 1.234 0.264 0 CA-C-N 116.607 -0.269 . . . . 74.54 111.342 -178.64 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 122' ' ' CYS . . . . . 0.449 ' N ' HG23 ' A' ' 121' ' ' VAL . 11.8 p -156.62 88.72 2.73 Favored Pre-proline 0 CA--C 1.533 0.325 0 O-C-N 122.306 -0.246 . . . . 72.12 111.63 -178.799 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 123' ' ' PRO . . . . . 0.487 ' HA ' ' HE2' ' A' ' 58' ' ' PHE . 73.2 Cg_endo -80.98 -53.81 0.04 OUTLIER 'Trans proline' 0 CA--C 1.537 0.631 0 C-N-CA 122.328 2.019 . . . . 74.45 112.022 173.845 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 124' ' ' TYR . . . . . 0.443 ' HD2' ' HA ' ' A' ' 124' ' ' TYR . 0.4 OUTLIER 177.04 -41.73 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.265 0 N-CA-C 106.662 -1.607 . . . . 65.44 106.662 178.396 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 125' ' ' SER . . . . . 0.597 ' O ' HG22 ' A' ' 128' ' ' THR . 57.4 p -159.44 144.91 15.85 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 114.042 -1.435 . . . . 62.44 107.977 168.437 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 66.5 t30 -60.55 -31.8 70.89 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.604 0.716 . . . . 73.42 109.836 -179.324 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 127' ' ' ALA . . . . . 0.642 ' O ' ' HB3' ' A' ' 131' ' ' ASN . . . -81.25 6.7 13.29 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.033 -0.985 . . . . 54.1 112.066 -178.872 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 128' ' ' THR . . . . . 0.597 HG22 ' O ' ' A' ' 125' ' ' SER . 1.7 t -96.06 -11.22 26.72 Favored 'General case' 0 N--CA 1.465 0.276 0 N-CA-C 108.841 -0.8 . . . . 73.21 108.841 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 129' ' ' ARG . . . . . 0.424 HH11 ' HD2' ' A' ' 129' ' ' ARG . 14.4 ptt180 -119.88 -40.96 2.69 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 115.283 -0.871 . . . . 72.04 110.873 -176.653 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 130' ' ' ASN . . . . . 0.419 ' N ' ' HG3' ' A' ' 129' ' ' ARG . 53.0 m-80 -78.2 -52.36 8.8 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 121.159 0.504 . . . . 71.52 110.652 177.646 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 131' ' ' ASN . . . . . 0.642 ' HB3' ' O ' ' A' ' 127' ' ' ALA . 60.1 t30 -68.42 -43.83 76.3 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 115.665 -0.698 . . . . 72.12 110.763 -177.777 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 29.5 t -97.12 133.21 39.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.803 -0.635 . . . . 70.22 110.108 -178.131 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -71.5 90.66 1.0 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.459 0.647 . . . . 45.42 110.85 -178.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 48.4 t -110.82 112.29 39.9 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.589 0 CA-C-N 115.181 -0.918 . . . . 75.02 110.678 178.546 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 135' ' ' ARG . . . . . 0.433 ' HE ' ' HG2' ' A' ' 98' ' ' GLU . 15.4 ttp180 -85.16 109.1 18.04 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.057 -0.974 . . . . 72.41 110.215 178.824 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 73.8 mt -81.11 120.92 25.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.721 -0.672 . . . . 50.04 110.689 178.323 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 137' ' ' VAL . . . . . 0.534 ' O ' ' HA ' ' A' ' 100' ' ' ARG . 0.1 OUTLIER -132.84 125.38 52.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.434 -0.803 . . . . 74.42 110.016 -178.036 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 138' ' ' VAL . . . . . 0.419 HG12 HG21 ' A' ' 115' ' ' VAL . 5.4 m -97.7 139.19 20.52 Favored 'Isoleucine or valine' 0 C--O 1.236 0.372 0 CA-C-O 121.455 0.645 . . . . 53.11 110.854 -178.275 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.314 -0.942 0 CA-C-N 115.169 -0.923 . . . . 73.13 110.788 -174.863 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 1' ' ' MET . . . . . 0.521 ' HE3' HD13 ' B' ' 3' ' ' ILE . 17.3 ptt? . . . . . 0 C--O 1.234 0.266 0 CA-C-O 120.778 0.323 . . . . 72.42 110.935 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 65.8 t30 -80.86 73.12 7.87 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-O 121.197 0.522 . . . . 61.35 110.623 -179.634 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 3' ' ' ILE . . . . . 0.521 HD13 ' HE3' ' B' ' 1' ' ' MET . 31.5 mm -61.14 126.27 18.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.517 -0.765 . . . . 72.42 111.672 176.342 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.686 ' HG ' ' HD3' ' A' ' 87' ' ' PRO . 92.6 mt -79.26 -48.77 13.58 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.63 -0.713 . . . . 75.25 110.377 176.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 5' ' ' TYR . . . . . . . . . . . . . 46.8 t80 -136.19 132.05 35.41 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.263 -0.426 . . . . 75.45 110.067 -176.041 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 6' ' ' LYS . . . . . 0.48 ' HD3' ' HG2' ' A' ' 82' ' ' GLU . 30.3 ttmt -140.22 134.77 31.58 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.017 0.437 . . . . 65.01 110.961 177.43 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 5.2 t -131.55 155.14 48.0 Favored 'General case' 0 C--O 1.238 0.453 0 CA-C-N 115.457 -0.792 . . . . 72.52 109.239 177.399 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 8' ' ' ALA . . . . . 0.479 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . . . -121.94 147.53 45.91 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.025 0.441 . . . . 64.22 111.186 -173.698 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -141.76 118.93 11.35 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.812 -0.631 . . . . 31.45 109.473 176.471 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 10' ' ' THR . . . . . 0.502 ' HA ' ' HA ' ' A' ' 80' ' ' THR . 9.5 t -96.43 137.91 34.81 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.997 -0.547 . . . . 64.31 109.727 -177.791 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 76.0 p -124.69 113.42 17.96 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.998 0.428 . . . . 74.14 110.39 -178.748 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 4.9 m -98.82 157.6 16.18 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.005 0.431 . . . . 53.42 110.497 -179.053 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -81.72 74.86 2.4 Favored Glycine 0 N--CA 1.447 -0.614 0 N-CA-C 111.055 -0.818 . . . . 71.12 111.055 174.899 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -55.67 -104.77 0.01 OUTLIER Glycine 0 C--N 1.338 0.663 0 C-N-CA 121.465 -0.398 . . . . 73.4 112.455 179.279 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 15.4 mmm180 -88.98 -50.12 6.37 Favored 'General case' 0 C--N 1.328 -0.333 0 O-C-N 122.355 -0.497 . . . . 65.14 110.089 170.452 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 16' ' ' ASP . . . . . 0.537 ' HB3' ' HA ' ' B' ' 31' ' ' SER . 13.8 t70 -125.76 -42.65 1.9 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.754 -0.657 . . . . 65.33 109.331 176.085 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 17' ' ' GLY . . . . . 0.455 ' O ' ' HG3' ' B' ' 29' ' ' LYS . . . -162.17 154.08 24.94 Favored Glycine 0 C--N 1.339 0.729 0 C-N-CA 120.823 -0.703 . . . . 74.22 111.859 167.288 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 18' ' ' ARG . . . . . 0.638 ' HA ' ' HA ' ' B' ' 29' ' ' LYS . 41.5 ttm180 -132.89 146.9 52.21 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.508 -0.553 . . . . 74.4 109.508 175.336 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 19' ' ' ALA . . . . . 0.59 ' HB1' ' HB1' ' A' ' 52' ' ' ALA . . . -133.28 123.77 26.1 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.746 -0.465 . . . . 64.21 109.746 177.055 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 27.8 m -134.2 114.98 13.65 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.367 -0.379 . . . . 75.11 110.719 -174.354 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 21' ' ' SER . . . . . 0.563 ' HB3' ' N ' ' B' ' 26' ' ' LEU . 34.6 t -71.04 113.05 7.68 Favored 'General case' 0 C--O 1.248 0.996 0 N-CA-C 107.968 -1.123 . . . . 74.21 107.968 176.177 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 22' ' ' HIS . . . . . . . . . . . . . 53.5 t-80 -60.03 -15.91 26.68 Favored 'General case' 0 N--CA 1.471 0.581 0 O-C-N 126.159 2.162 . . . . 73.12 112.459 -167.454 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -80.53 11.59 3.63 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 110.08 -0.341 . . . . 63.54 110.08 175.314 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 31.2 mm-40 67.98 18.07 9.54 Favored 'General case' 0 C--N 1.342 0.261 0 CA-C-N 115.41 -0.814 . . . . 71.43 109.822 -178.63 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 34.1 mmtp -87.92 -20.05 26.47 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 115.224 -0.898 . . . . 41.25 110.92 -178.104 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 26' ' ' LEU . . . . . 0.563 ' N ' ' HB3' ' B' ' 21' ' ' SER . 54.9 tp -146.97 144.22 29.03 Favored 'General case' 0 CA--C 1.515 -0.381 0 C-N-CA 119.643 -0.823 . . . . 71.52 110.966 176.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -156.83 90.99 1.18 Allowed 'General case' 0 C--N 1.327 -0.38 0 O-C-N 123.591 0.557 . . . . 53.33 109.544 175.088 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 28' ' ' VAL . . . . . 0.415 ' O ' ' HG3' ' B' ' 18' ' ' ARG . 5.8 m -136.03 178.07 5.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.879 -0.6 . . . . 74.12 110.699 -179.191 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 29' ' ' LYS . . . . . 0.638 ' HA ' ' HA ' ' B' ' 18' ' ' ARG . 7.6 ttpp -142.09 140.14 32.43 Favored 'General case' 0 C--N 1.319 -0.717 0 CA-C-N 115.778 -0.646 . . . . 64.31 110.333 -175.194 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 30' ' ' LEU . . . . . 0.656 ' HA ' ' H ' ' B' ' 44' ' ' THR . 0.0 OUTLIER -124.05 170.44 10.66 Favored 'General case' 0 C--O 1.248 1.013 0 CA-C-O 121.109 0.48 . . . . 72.32 111.078 179.112 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 31' ' ' SER . . . . . 0.537 ' HA ' ' HB3' ' B' ' 16' ' ' ASP . 50.3 m -152.6 133.58 14.12 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 115.412 -0.813 . . . . 62.35 110.804 -176.187 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.88 141.93 95.09 Favored Pre-proline 0 C--O 1.244 0.763 0 CA-C-N 116.045 -0.525 . . . . 75.13 110.149 176.649 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 33' ' ' PRO . . . . . 0.52 ' HG3' ' ND2' ' B' ' 45' ' ' ASN . 64.5 Cg_exo -51.85 113.51 1.2 Allowed 'Trans proline' 0 C--N 1.348 0.539 0 C-N-CA 122.723 2.282 . . . . 71.3 112.37 -179.223 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 34' ' ' ARG . . . . . 0.584 ' HB2' ' HA3' ' B' ' 40' ' ' GLY . 0.0 OUTLIER -51.6 -32.58 29.31 Favored 'General case' 0 N--CA 1.445 -0.689 0 C-N-CA 123.134 0.574 . . . . 71.43 110.59 177.267 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 7.5 mp0 -52.02 -43.19 63.58 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.559 -0.746 . . . . 72.42 111.219 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 20.1 mt -89.25 -35.69 16.03 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.286 -0.87 . . . . 63.52 110.863 -173.16 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 151.61 38.71 0.03 OUTLIER Glycine 0 C--N 1.33 0.201 0 C-N-CA 121.026 -0.607 . . . . 51.22 112.463 178.506 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -113.17 -137.91 6.95 Favored Glycine 0 N--CA 1.446 -0.681 0 C-N-CA 120.831 -0.7 . . . . 64.12 111.494 -177.789 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 39' ' ' ALA . . . . . 0.462 ' C ' ' HG2' ' B' ' 34' ' ' ARG . . . -119.09 -17.34 8.99 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 111.527 0.195 . . . . 71.25 111.527 -177.631 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 40' ' ' GLY . . . . . 0.584 ' HA3' ' HB2' ' B' ' 34' ' ' ARG . . . 46.36 33.09 5.6 Favored Glycine 0 C--N 1.34 0.779 0 CA-C-O 121.763 0.646 . . . . 53.13 111.514 -174.539 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 41' ' ' ALA . . . . . 0.413 ' HB3' ' OG ' ' B' ' 31' ' ' SER . . . -83.84 -166.83 1.51 Allowed 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 114.294 -0.953 . . . . 45.11 112.368 -171.718 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -72.28 74.7 0.99 Allowed 'General case' 0 CA--C 1.514 -0.412 0 CA-C-N 114.955 -1.021 . . . . 74.14 110.052 178.805 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -161.92 -171.91 28.64 Favored Glycine 0 C--N 1.308 -0.974 0 CA-C-N 114.753 -1.112 . . . . 72.12 113.488 178.737 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 44' ' ' THR . . . . . 0.656 ' H ' ' HA ' ' B' ' 30' ' ' LEU . 9.5 t -115.3 171.86 7.43 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 123.072 0.549 . . . . 35.03 109.848 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 45' ' ' ASN . . . . . 0.52 ' ND2' ' HG3' ' B' ' 33' ' ' PRO . 17.1 m120 -74.88 117.5 63.08 Favored Pre-proline 0 C--N 1.33 -0.253 0 N-CA-C 110.184 -0.302 . . . . 71.14 110.184 178.18 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 46' ' ' PRO . . . . . . . . . . . . . 75.7 Cg_exo -51.98 -41.05 66.03 Favored 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 122.572 2.182 . . . . 54.41 111.375 173.862 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 47' ' ' GLU . . . . . 0.509 ' CD ' ' H ' ' B' ' 47' ' ' GLU . 2.8 mp0 -56.0 -50.84 69.73 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-O 121.74 0.781 . . . . 73.03 109.268 176.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 48' ' ' GLN . . . . . 0.527 ' OE1' HG23 ' A' ' 7' ' ' THR . 15.7 tp60 -69.04 -30.79 69.21 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 114.76 -1.109 . . . . 65.22 110.68 -177.084 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 49' ' ' LEU . . . . . 0.466 HD12 ' HA3' ' A' ' 53' ' ' GLY . 2.1 tm? -63.45 -53.91 44.75 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.312 -0.625 . . . . 73.15 109.312 179.63 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 40.1 t80 -58.85 -46.08 88.58 Favored 'General case' 0 C--O 1.226 -0.161 0 CA-C-N 116.472 -0.331 . . . . 74.53 110.213 176.307 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 51' ' ' ALA . . . . . 0.571 ' HB2' HG11 ' B' ' 83' ' ' VAL . . . -53.94 -52.65 59.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.163 -0.471 . . . . 63.22 111.63 -179.825 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -66.21 -46.86 75.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.007 -0.542 . . . . 74.31 110.728 -176.753 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 53' ' ' GLY . . . . . 0.561 ' HA3' HD12 ' A' ' 49' ' ' LEU . . . -62.73 -34.9 91.01 Favored Glycine 0 C--N 1.333 0.384 0 C-N-CA 121.027 -0.606 . . . . 73.22 111.895 179.26 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -69.91 -41.34 74.8 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 122.683 0.393 . . . . 73.14 110.166 177.705 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 55' ' ' SER . . . . . 0.505 ' OG ' ' HB2' ' B' ' 81' ' ' ALA . 48.9 m -61.89 -49.16 77.3 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.904 -0.406 . . . . 71.55 109.904 177.702 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 56' ' ' ALA . . . . . 0.568 ' HB1' HD21 ' A' ' 30' ' ' LEU . . . -62.52 -39.13 92.54 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.025 -0.534 . . . . 72.32 110.55 177.56 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 57' ' ' CYS . . . . . . . . . . . . . 41.9 t -61.86 -36.47 81.33 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.872 -0.604 . . . . 72.4 109.957 175.476 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 21.9 t80 -62.75 -39.8 95.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.723 -0.671 . . . . 52.32 110.152 -177.764 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -64.52 -41.22 96.53 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 116.058 -0.519 . . . . 64.41 110.444 176.159 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 60' ' ' SER . . . . . 0.441 ' O ' ' HB3' ' B' ' 63' ' ' LYS . 16.5 t -67.33 -42.3 83.83 Favored 'General case' 0 C--O 1.239 0.539 0 CA-C-O 121.25 0.548 . . . . 73.23 110.384 -179.444 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 61' ' ' ALA . . . . . 0.473 ' O ' HG23 ' B' ' 65' ' ' VAL . . . -60.86 -49.23 78.33 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.076 -0.511 . . . . 44.1 110.014 177.293 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 62' ' ' MET . . . . . 0.479 ' HA ' ' HB ' ' B' ' 65' ' ' VAL . 87.0 mmm -66.84 -27.08 67.26 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.225 -0.443 . . . . 71.0 110.599 177.792 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 63' ' ' LYS . . . . . 0.441 ' HB3' ' O ' ' B' ' 60' ' ' SER . 19.9 tptm -60.41 -48.9 79.77 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.009 -0.737 . . . . 72.03 109.009 175.776 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 47.1 t80 -69.79 -43.72 71.54 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 115.34 -0.846 . . . . 73.11 110.809 177.12 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 65' ' ' VAL . . . . . 0.479 ' HB ' ' HA ' ' B' ' 62' ' ' MET . 40.1 t -56.47 -45.45 81.94 Favored 'Isoleucine or valine' 0 C--O 1.233 0.234 0 CA-C-N 116.06 -0.518 . . . . 75.05 111.032 -178.693 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 66' ' ' ALA . . . . . 0.447 ' HA ' ' HG3' ' B' ' 71' ' ' GLN . . . -59.08 -32.43 69.79 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.239 0.542 . . . . 74.13 110.237 179.098 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -72.56 -25.17 74.83 Favored Glycine 0 N--CA 1.451 -0.323 0 CA-C-N 115.369 -0.832 . . . . 75.04 112.625 -176.643 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -98.97 -21.49 16.22 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 121.053 0.454 . . . . 64.5 109.8 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 7.2 m120 -93.76 1.01 56.61 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.712 -0.676 . . . . 65.21 111.142 -178.376 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 70' ' ' LYS . . . . . 0.415 ' HD3' ' N ' ' B' ' 70' ' ' LYS . 21.9 mmtm 65.55 24.14 11.78 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 115.624 -0.717 . . . . 73.12 111.13 172.256 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 71' ' ' GLN . . . . . 0.447 ' HG3' ' HA ' ' B' ' 66' ' ' ALA . 2.3 pt20 -114.17 167.74 10.42 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.616 -0.72 . . . . 74.24 110.374 -179.524 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 21.4 p -128.19 132.22 48.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 74.12 110.939 -176.711 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 73' ' ' LEU . . . . . 0.463 ' HA ' ' HD3' ' B' ' 74' ' ' PRO . 87.1 mt -109.58 139.61 21.34 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 75.15 110.857 -177.608 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 74' ' ' PRO . . . . . 0.463 ' HD3' ' HA ' ' B' ' 73' ' ' LEU . 19.1 Cg_exo -67.47 132.52 27.5 Favored 'Trans proline' 0 C--N 1.349 0.587 0 C-N-CA 122.999 2.466 . . . . 62.01 111.751 176.478 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -76.77 -1.56 28.72 Favored 'General case' 0 N--CA 1.465 0.308 0 N-CA-C 112.063 0.394 . . . . 71.53 112.063 -176.848 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -92.14 3.95 54.22 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-O 121.358 0.599 . . . . 60.22 110.973 -178.501 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 77' ' ' THR . . . . . 0.6 ' HB ' HD22 ' B' ' 103' ' ' LEU . 5.3 t -72.78 152.56 41.53 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-N 116.185 -0.461 . . . . 73.25 111.426 -177.346 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 2.6 p -140.08 154.17 46.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.791 -0.64 . . . . 71.23 110.889 178.534 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 74.2 t -131.12 119.06 43.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 115.583 -0.735 . . . . 54.24 109.338 175.528 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 80' ' ' THR . . . . . 0.502 ' HB ' ' HB3' ' B' ' 100' ' ' ARG . 4.4 m -98.68 109.72 22.44 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.94 -0.573 . . . . 72.42 110.243 -178.412 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 81' ' ' ALA . . . . . 0.522 ' HB1' ' HB1' ' B' ' 51' ' ' ALA . . . -93.34 104.58 16.73 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.156 -0.475 . . . . 73.43 110.112 178.792 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 82' ' ' GLU . . . . . 0.459 ' HA ' ' HA ' ' A' ' 8' ' ' ALA . 34.3 tt0 -107.31 107.69 18.72 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.195 -0.669 . . . . 71.23 109.195 179.386 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 83' ' ' VAL . . . . . 0.571 HG11 ' HB2' ' B' ' 51' ' ' ALA . 23.9 m -107.88 141.72 22.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 121.011 0.434 . . . . 71.44 111.322 -173.889 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 84' ' ' GLY . . . . . 0.449 ' HA2' ' HA ' ' A' ' 6' ' ' LYS . . . -138.38 165.43 25.49 Favored Glycine 0 N--CA 1.441 -1.014 0 CA-C-N 115.699 -0.682 . . . . 52.45 111.586 179.48 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -146.43 136.37 17.53 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.809 0 N-CA-C 109.411 -0.589 . . . . 73.1 109.411 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 86' ' ' GLY . . . . . 0.49 ' HA2' ' HG ' ' A' ' 4' ' ' LEU . . . -148.45 170.02 29.0 Favored Glycine 0 C--N 1.328 0.089 0 O-C-N 123.659 0.6 . . . . 52.3 111.962 -178.548 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 87' ' ' PRO . . . . . 0.803 ' HD3' ' HG ' ' A' ' 4' ' ' LEU . 7.6 Cg_exo -69.86 117.28 5.0 Favored 'Trans proline' 0 N--CA 1.459 -0.511 0 C-N-CA 122.583 2.188 . . . . 61.3 110.766 -178.406 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 88' ' ' ASN . . . . . . . . . . . . . 50.3 t-20 -71.96 137.64 47.47 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 109.069 -0.715 . . . . 72.3 109.069 178.783 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -65.26 -11.56 42.59 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.236 0.541 . . . . 65.22 110.669 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -67.15 -22.11 65.79 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 115.476 -0.783 . . . . 74.05 110.468 171.916 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.59 34.82 3.46 Favored Glycine 0 C--N 1.329 0.171 0 CA-C-N 115.675 -0.693 . . . . 72.2 112.005 -177.488 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . -151.49 -133.72 2.05 Favored Glycine 0 N--CA 1.452 -0.275 0 N-CA-C 111.275 -0.73 . . . . 70.13 111.275 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 93' ' ' PHE . . . . . 0.419 ' HE1' ' CZ ' ' A' ' 64' ' ' PHE . 39.7 m-85 -127.51 148.04 50.32 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 117.105 0.452 . . . . 73.12 110.394 179.621 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -132.71 136.49 46.44 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.873 -0.603 . . . . 62.21 109.798 -179.35 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -99.82 123.66 44.31 Favored 'General case' 0 C--N 1.331 -0.214 0 O-C-N 123.675 0.61 . . . . 74.21 110.533 -178.74 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 96' ' ' ASP . . . . . 0.457 ' HB2' ' SD ' ' A' ' 1' ' ' MET . 37.2 t70 -110.16 110.28 21.09 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.477 -0.783 . . . . 73.53 109.37 178.685 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 97' ' ' VAL . . . . . 0.833 ' HB ' HG22 ' B' ' 134' ' ' VAL . 57.3 t -112.98 110.8 33.53 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.883 0 CA-C-O 120.577 0.227 . . . . 65.34 111.127 -176.244 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 98' ' ' GLU . . . . . 0.567 ' HG2' ' HB3' ' B' ' 135' ' ' ARG . 43.8 mt-10 -96.5 107.16 19.52 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 110.091 -0.337 . . . . 74.42 110.091 177.314 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 76.9 mt -94.46 108.13 20.07 Favored 'General case' 0 C--O 1.236 0.342 0 CA-C-N 116.244 -0.435 . . . . 61.12 110.091 179.354 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 100' ' ' ARG . . . . . 0.546 ' HA ' ' O ' ' B' ' 137' ' ' VAL . 34.9 ttt-85 -99.46 118.03 35.17 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.736 -0.665 . . . . 64.11 110.149 -176.253 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 101' ' ' VAL . . . . . . . . . . . . . 98.1 t -106.75 109.68 28.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.263 -0.426 . . . . 60.12 111.18 -175.692 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 102' ' ' ALA . . . . . 0.524 ' HA ' ' HB3' ' B' ' 139' ' ' ALA . . . -105.48 101.05 10.6 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.981 0.419 . . . . 53.32 109.961 175.023 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 103' ' ' LEU . . . . . 0.665 ' HB3' HD23 ' B' ' 106' ' ' LEU . 2.7 tm? -111.58 115.12 51.93 Favored Pre-proline 0 C--N 1.328 -0.363 0 N-CA-C 107.971 -1.122 . . . . 72.24 107.971 177.879 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 104' ' ' PRO . . . . . 0.518 ' HD2' HD22 ' B' ' 103' ' ' LEU . 38.8 Cg_endo -69.19 145.01 59.05 Favored 'Trans proline' 0 N--CA 1.46 -0.443 0 C-N-CA 122.199 1.932 . . . . 74.24 112.856 -174.628 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 105' ' ' GLY . . . . . . . . . . . . . . . 73.82 15.13 79.63 Favored Glycine 0 CA--C 1.519 0.295 0 CA-C-N 115.366 -0.834 . . . . 72.34 112.139 -178.234 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 106' ' ' LEU . . . . . 0.665 HD23 ' HB3' ' B' ' 103' ' ' LEU . 42.8 tp -124.53 140.77 52.63 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-O 120.769 0.319 . . . . 60.53 111.054 -176.728 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -79.24 165.04 23.66 Favored 'General case' 0 CA--C 1.512 -0.483 0 CA-C-N 115.948 -0.569 . . . . 63.12 110.804 -179.505 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 108' ' ' ALA . . . . . 0.568 ' O ' ' HG3' ' B' ' 112' ' ' LYS . . . -65.71 -46.55 78.53 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.876 -0.602 . . . . 34.32 109.437 169.635 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -56.64 -51.19 69.64 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 115.564 -0.744 . . . . 64.51 111.273 -176.894 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 110' ' ' ALA . . . . . 0.483 ' O ' HG22 ' B' ' 113' ' ' THR . . . -71.51 -42.52 67.9 Favored 'General case' 0 C--O 1.238 0.49 0 CA-C-N 115.957 -0.565 . . . . 72.03 110.4 -179.489 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 111' ' ' ALA . . . . . 0.44 ' HA ' HD21 ' B' ' 106' ' ' LEU . . . -54.59 -37.39 65.48 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.059 -0.519 . . . . 64.14 111.108 178.872 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 112' ' ' LYS . . . . . 0.568 ' HG3' ' O ' ' B' ' 108' ' ' ALA . 29.2 mtpp -53.1 -49.32 66.69 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.483 -0.326 . . . . 74.45 110.947 178.094 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 113' ' ' THR . . . . . 0.483 HG22 ' O ' ' B' ' 110' ' ' ALA . 1.2 t -74.5 -36.22 63.24 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.351 -0.386 . . . . 72.03 110.615 -176.479 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 48.2 mt -65.6 -46.3 79.88 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 120.849 0.356 . . . . 70.23 110.616 -179.231 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 115' ' ' VAL . . . . . 0.421 HG23 ' O ' ' B' ' 111' ' ' ALA . 86.1 t -66.09 -33.65 64.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.023 -0.535 . . . . 63.55 110.146 177.504 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 23.7 t0 -63.18 -56.74 14.16 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 115.93 -0.577 . . . . 75.43 111.047 178.732 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 117' ' ' ARG . . . . . 0.425 ' HG2' ' O ' ' B' ' 113' ' ' THR . 14.7 ptm180 -64.93 -35.02 79.83 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-O 121.178 0.513 . . . . 70.2 110.4 -177.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -61.59 -36.47 80.77 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.674 -0.694 . . . . 61.11 109.818 174.469 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 29.6 m80 -81.73 13.77 3.01 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 116.061 -0.518 . . . . 74.31 112.137 174.331 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 67.4 m170 -106.66 -50.95 3.02 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-O 120.983 0.421 . . . . 61.52 110.807 174.87 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 32.0 m -84.81 27.53 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.491 0 N-CA-C 113.504 0.927 . . . . 63.42 113.504 -168.114 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 122' ' ' CYS . . . . . . . . . . . . . 84.7 m -144.26 139.79 16.15 Favored Pre-proline 0 CA--C 1.534 0.362 0 O-C-N 122.221 -0.3 . . . . 74.53 110.776 179.272 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 123' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_endo -61.22 -43.3 29.78 Favored 'Trans proline' 0 C--N 1.352 0.76 0 C-N-CA 122.752 2.301 . . . . 65.25 111.886 -179.487 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 124' ' ' TYR . . . . . . . . . . . . . 55.7 m-85 . . . . . 0 N--CA 1.464 0.256 0 CA-C-O 121.27 0.557 . . . . 65.35 110.395 178.517 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 128' ' ' THR . . . . . 0.449 ' OG1' HG21 ' B' ' 134' ' ' VAL . 1.4 t . . . . . 0 C--O 1.223 -0.33 0 N-CA-C 109.149 -0.685 . . . . 55.14 109.149 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 129' ' ' ARG . . . . . . . . . . . . . 14.8 ptm180 -112.14 -46.62 3.18 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 115.594 -0.73 . . . . 75.21 110.603 -176.007 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 130' ' ' ASN . . . . . . . . . . . . . 27.3 m120 -78.82 -39.84 34.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.149 0.5 . . . . 74.14 111.322 179.072 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 131' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -94.68 -38.77 10.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.775 -0.648 . . . . 75.43 111.148 -172.371 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 132' ' ' VAL . . . . . . . . . . . . . 47.4 t -112.4 153.84 13.97 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.426 0 CA-C-O 120.723 0.297 . . . . 52.13 111.235 -172.363 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 133' ' ' ALA . . . . . . . . . . . . . . . -84.96 95.2 8.98 Favored 'General case' 0 C--O 1.239 0.5 0 CA-C-O 121.57 0.7 . . . . 72.23 110.937 -179.756 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 134' ' ' VAL . . . . . 0.833 HG22 ' HB ' ' B' ' 97' ' ' VAL . 77.2 t -125.33 113.53 35.73 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.469 0 CA-C-N 115.182 -0.917 . . . . 61.1 111.196 -177.899 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 135' ' ' ARG . . . . . 0.567 ' HB3' ' HG2' ' B' ' 98' ' ' GLU . 17.4 tpt180 -74.33 110.95 9.04 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.389 -0.823 . . . . 74.32 109.862 175.383 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 40.5 mt -81.62 109.44 16.06 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.05 0.452 . . . . 72.41 110.193 175.914 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 137' ' ' VAL . . . . . 0.546 ' O ' ' HA ' ' B' ' 100' ' ' ARG . 0.2 OUTLIER -119.53 116.36 50.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.626 -0.715 . . . . 72.22 110.04 -179.006 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 138' ' ' VAL . . . . . . . . . . . . . 4.2 m -99.17 138.62 23.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.999 -0.546 . . . . 70.52 109.635 179.314 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 139' ' ' ALA . . . . . 0.524 ' HB3' ' HA ' ' B' ' 102' ' ' ALA . . . . . . . . 0 C--O 1.251 1.158 0 CA-C-N 115.775 -0.648 . . . . 71.35 110.419 -175.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.406 ' HE3' HD13 ' A' ' 3' ' ' ILE . 19.0 ptt? . . . . . 0 N--CA 1.481 1.105 0 N-CA-C 110.337 -0.246 . . . . 71.43 110.337 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 41.4 t30 -76.36 74.36 3.13 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-O 121.335 0.588 . . . . 75.52 110.436 177.373 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.53 HG21 ' HB2' ' A' ' 6' ' ' LYS . 30.8 mm -70.74 131.7 34.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.48 -0.782 . . . . 51.02 111.114 174.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.709 ' HG ' ' HD3' ' B' ' 87' ' ' PRO . 88.9 mt -86.62 -43.45 12.64 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.931 -0.577 . . . . 74.21 110.122 176.068 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 43.6 t80 -138.31 130.06 28.07 Favored 'General case' 0 C--O 1.222 -0.366 0 CA-C-N 115.934 -0.576 . . . . 54.43 110.112 -177.366 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.53 ' HB2' HG21 ' A' ' 3' ' ' ILE . 28.4 ttmt -143.6 130.7 20.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.772 0.32 . . . . 62.42 111.108 177.456 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 9.3 t -125.46 148.8 48.7 Favored 'General case' 0 C--O 1.238 0.453 0 CA-C-N 115.843 -0.617 . . . . 73.02 109.89 179.281 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.476 ' HA ' ' HA ' ' B' ' 82' ' ' GLU . . . -110.9 155.59 22.41 Favored 'General case' 0 C--O 1.238 0.455 0 CA-C-O 121.237 0.541 . . . . 64.34 112.076 -176.182 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.563 ' HA ' ' HA ' ' A' ' 21' ' ' SER . . . -153.5 116.97 4.65 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.226 -0.897 . . . . 65.14 109.662 176.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.541 ' HA ' ' HA ' ' B' ' 80' ' ' THR . 14.4 t -102.63 142.89 33.04 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.833 -0.432 . . . . 73.43 109.833 -179.249 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.449 ' HA ' ' O ' ' A' ' 18' ' ' ARG . 23.3 p -127.84 113.78 16.37 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.157 0.504 . . . . 71.32 111.057 -177.627 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.432 ' HB ' ' HB3' ' A' ' 18' ' ' ARG . 3.0 m -81.32 157.45 25.08 Favored 'General case' 0 C--O 1.248 0.99 0 CA-C-N 115.927 -0.579 . . . . 72.12 110.717 177.213 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -72.94 73.34 1.03 Allowed Glycine 0 N--CA 1.444 -0.817 0 CA-C-N 115.542 -0.754 . . . . 62.44 112.367 175.57 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -67.64 -169.19 4.38 Favored Glycine 0 C--N 1.332 0.319 0 C-N-CA 120.949 -0.643 . . . . 62.02 111.698 171.895 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 10.6 mpt_? -51.48 -46.68 63.21 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 116.991 0.395 . . . . 73.04 110.397 178.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.566 ' HB3' ' HA ' ' A' ' 31' ' ' SER . 19.5 t70 -125.8 -43.05 1.87 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.985 -0.552 . . . . 74.22 109.6 173.852 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -163.85 144.89 9.86 Favored Glycine 0 C--N 1.345 1.082 0 C-N-CA 120.136 -1.03 . . . . 73.12 111.957 165.307 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.449 ' O ' ' HA ' ' A' ' 11' ' ' SER . 4.0 tmt_? -123.84 100.65 6.86 Favored 'General case' 0 C--O 1.221 -0.42 0 CA-C-N 117.448 0.624 . . . . 73.24 109.343 179.196 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.44 ' HB1' ' HB1' ' B' ' 52' ' ' ALA . . . -104.33 139.75 38.86 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 121.172 0.51 . . . . 71.12 111.236 -170.271 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.419 ' OG1' ' NH1' ' A' ' 18' ' ' ARG . 24.3 m -149.75 113.23 4.98 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 116.026 -0.534 . . . . 63.53 110.84 -177.869 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.563 ' HA ' ' HA ' ' A' ' 9' ' ' ALA . 47.9 t -69.83 111.31 5.48 Favored 'General case' 0 C--O 1.246 0.889 0 N-CA-C 107.951 -1.129 . . . . 62.3 107.951 177.834 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.41 ' C ' ' H ' ' A' ' 24' ' ' GLN . 57.2 t-80 -55.51 -24.44 31.71 Favored 'General case' 0 C--N 1.347 0.466 0 O-C-N 126.207 2.192 . . . . 71.44 112.835 -166.457 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.413 ' HB2' ' HZ3' ' A' ' 25' ' ' LYS . 14.7 m-20 -80.47 16.92 1.19 Allowed 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.646 -0.501 . . . . 73.43 109.646 178.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.41 ' H ' ' C ' ' A' ' 22' ' ' HIS . 28.2 mm-40 69.27 20.35 7.48 Favored 'General case' 0 CA--C 1.521 -0.155 0 CA-C-N 115.432 -0.804 . . . . 72.53 109.989 177.387 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.413 ' HZ3' ' HB2' ' A' ' 23' ' ' ASP . 26.9 mtmm -86.21 -25.49 25.6 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 115.428 -0.806 . . . . 73.44 111.106 -179.787 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.543 ' N ' ' HB3' ' A' ' 21' ' ' SER . 55.9 tp -145.98 148.16 32.45 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 119.848 -0.741 . . . . 74.42 111.202 -178.422 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -161.32 91.44 0.85 Allowed 'General case' 0 CA--C 1.534 0.338 0 O-C-N 123.734 0.646 . . . . 74.13 109.849 179.702 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.417 HG22 HD11 ' A' ' 26' ' ' LEU . 4.2 m -148.88 178.09 0.79 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.464 0 CA-C-O 121.778 0.799 . . . . 62.12 111.838 178.902 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -121.7 148.12 45.02 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 114.752 -1.113 . . . . 62.42 109.163 176.136 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.732 ' HA ' ' H ' ' A' ' 44' ' ' THR . 0.0 OUTLIER -127.96 156.07 43.25 Favored 'General case' 0 C--O 1.254 1.333 0 N-CA-C 110.064 -0.347 . . . . 64.12 110.064 173.366 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.566 ' HA ' ' HB3' ' A' ' 16' ' ' ASP . 49.0 m -160.07 140.42 11.76 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 115.227 -0.897 . . . . 75.34 111.257 -175.333 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.33 146.46 88.97 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 115.665 -0.698 . . . . 52.21 109.495 173.555 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_endo -67.04 14.69 0.13 Allowed 'Trans proline' 0 CA--C 1.537 0.673 0 C-N-CA 123.192 2.595 . . . . 73.33 114.712 -169.843 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.484 ' HA ' ' H ' ' A' ' 38' ' ' GLY . 0.0 OUTLIER 71.8 -37.12 0.38 Allowed 'General case' 0 CA--C 1.539 0.541 0 N-CA-C 112.988 0.736 . . . . 50.12 112.988 177.011 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -48.31 -31.76 6.46 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-O 121.556 0.693 . . . . 75.14 111.495 179.085 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 13.4 mt -108.79 17.71 21.55 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.161 -0.927 . . . . 63.44 110.958 -171.225 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 80.94 54.25 3.68 Favored Glycine 0 CA--C 1.52 0.345 0 C-N-CA 121.03 -0.605 . . . . 72.22 111.606 -176.239 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.484 ' H ' ' HA ' ' A' ' 34' ' ' ARG . . . -83.42 -88.22 0.77 Allowed Glycine 0 C--N 1.332 0.322 0 C-N-CA 121.357 -0.449 . . . . 73.44 112.973 -176.403 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -167.41 -42.93 0.02 OUTLIER 'General case' 0 C--O 1.233 0.219 0 CA-C-O 120.869 0.366 . . . . 63.22 111.2 179.099 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 96.5 64.09 0.93 Allowed Glycine 0 C--O 1.235 0.179 0 N-CA-C 110.614 -0.995 . . . . 45.53 110.614 -176.034 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.458 ' HB3' ' OG ' ' A' ' 31' ' ' SER . . . -136.01 176.65 8.5 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.247 0.546 . . . . 44.21 111.833 -174.669 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -103.04 80.23 1.84 Allowed 'General case' 0 CA--C 1.514 -0.418 0 CA-C-N 115.021 -0.991 . . . . 71.23 109.642 -178.053 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -144.59 -164.93 10.8 Favored Glycine 0 C--N 1.31 -0.908 0 CA-C-N 114.478 -1.237 . . . . 55.55 112.603 -179.722 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.732 ' H ' ' HA ' ' A' ' 30' ' ' LEU . 12.2 t -111.58 150.56 29.86 Favored 'General case' 0 C--O 1.234 0.262 0 N-CA-C 109.057 -0.72 . . . . 74.01 109.057 178.875 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.58 ' HB2' ' HB3' ' A' ' 48' ' ' GLN . 1.5 m-20 -65.92 138.89 96.54 Favored Pre-proline 0 C--N 1.325 -0.492 0 N-CA-C 110.339 -0.245 . . . . 72.33 110.339 -176.923 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 45' ' ' ASN . 31.4 Cg_exo -59.65 -58.16 0.67 Allowed 'Trans proline' 0 C--N 1.349 0.572 0 C-N-CA 123.039 2.493 . . . . 63.04 112.941 -175.351 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.11 -31.28 72.06 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-O 120.913 0.387 . . . . 62.13 110.299 -177.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.58 ' HB3' ' HB2' ' A' ' 45' ' ' ASN . 24.5 tt0 -63.13 -44.42 95.63 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 115.843 -0.617 . . . . 72.35 110.308 174.289 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.435 HD12 ' HA3' ' B' ' 53' ' ' GLY . 3.4 tm? -61.22 -50.31 73.61 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.308 -0.86 . . . . 71.11 109.805 -179.31 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 39.8 t80 -59.2 -49.4 77.99 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 115.97 -0.559 . . . . 64.45 110.544 178.31 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.452 ' HB2' ' CG1' ' A' ' 83' ' ' VAL . . . -53.41 -53.15 55.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.277 -0.419 . . . . 52.03 111.827 177.924 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.58 -45.76 90.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 51.43 110.998 -178.452 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.562 ' HA3' HD12 ' B' ' 49' ' ' LEU . . . -65.77 -40.57 95.74 Favored Glycine 0 C--N 1.333 0.399 0 CA-C-N 115.917 -0.583 . . . . 45.35 112.33 -179.576 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -69.73 -39.07 77.03 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 110.111 -0.329 . . . . 71.4 110.111 179.622 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 31.2 t -63.52 -47.71 80.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.072 0.463 . . . . 50.31 109.834 178.866 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.515 ' HB1' HD21 ' B' ' 30' ' ' LEU . . . -64.27 -44.6 91.22 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.84 -0.618 . . . . 72.41 110.515 178.327 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 42.0 t -60.19 -36.67 78.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.899 -0.591 . . . . 74.4 110.006 177.298 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 33.5 t80 -62.66 -50.13 72.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.529 -0.76 . . . . 64.12 110.747 -177.017 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.53 HD12 ' N ' ' A' ' 60' ' ' SER . 4.5 pp -69.23 -37.65 78.13 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 116.462 -0.335 . . . . 74.12 111.024 -177.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.53 ' N ' HD12 ' A' ' 59' ' ' LEU . 50.1 m -68.58 -38.61 80.81 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-O 120.803 0.335 . . . . 74.4 110.55 177.905 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.24 -42.28 84.23 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.005 0.431 . . . . 64.15 110.04 178.164 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 4.7 tpt -61.26 -40.83 95.54 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 115.688 -0.687 . . . . 61.32 109.847 177.028 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 48.8 tptt -63.38 -42.67 98.85 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 115.626 -0.716 . . . . 62.32 109.895 177.477 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.408 ' CZ ' ' HE1' ' B' ' 93' ' ' PHE . 87.1 t80 -61.08 -49.18 78.36 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 115.811 -0.631 . . . . 70.35 110.467 177.655 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 54.0 t -53.43 -48.68 57.0 Favored 'Isoleucine or valine' 0 C--O 1.235 0.319 0 CA-C-N 115.946 -0.57 . . . . 51.41 110.433 177.628 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -53.56 -34.79 59.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.908 -0.587 . . . . 55.45 110.493 178.591 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -69.28 -31.66 71.79 Favored Glycine 0 N--CA 1.45 -0.394 0 CA-C-N 115.43 -0.805 . . . . 65.01 112.267 -177.204 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.42 ' HG3' HD22 ' A' ' 69' ' ' ASN . 12.6 pt20 -98.75 -7.32 27.81 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.34 0.591 . . . . 73.33 109.549 -179.126 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.42 HD22 ' HG3' ' A' ' 68' ' ' GLN . 1.1 m-80 -100.95 3.75 41.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.245 -0.888 . . . . 73.35 110.5 176.511 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 33.4 mmtt 65.47 23.6 11.9 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 115.131 -0.94 . . . . 70.5 111.129 170.51 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -119.45 166.87 12.53 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.58 -0.736 . . . . 65.11 110.329 -179.089 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 19.9 p -122.23 128.88 51.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.478 -0.328 . . . . 71.13 111.421 -178.296 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 89.8 mt -109.79 137.97 20.56 Favored Pre-proline 0 C--N 1.326 -0.453 0 CA-C-N 115.945 -0.57 . . . . 63.13 110.526 177.158 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.4 ' O ' HG22 ' A' ' 77' ' ' THR . 45.9 Cg_exo -59.22 142.01 98.65 Favored 'Trans proline' 0 C--N 1.35 0.627 0 C-N-CA 123.276 2.651 . . . . 75.32 113.224 -176.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -77.45 -9.24 58.77 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.522 0.677 . . . . 74.43 110.603 174.438 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -85.21 16.65 3.45 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.127 -0.942 . . . . 72.44 111.255 -176.433 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.435 ' HB ' HD23 ' A' ' 103' ' ' LEU . 7.5 t -95.25 161.0 14.28 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.118 0.485 . . . . 73.42 111.512 -176.472 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 26.3 m -150.68 149.38 29.75 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.808 -0.633 . . . . 65.01 109.819 179.567 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 97.5 t -129.59 121.12 52.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 N-CA-C 109.446 -0.576 . . . . 73.54 109.446 176.252 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 38.8 m -105.38 115.5 30.36 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.659 -0.7 . . . . 61.0 110.787 -177.355 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -102.56 105.22 15.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.757 -0.656 . . . . 75.0 109.7 178.06 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.482 ' HA ' ' HA ' ' B' ' 8' ' ' ALA . 44.0 tt0 -104.79 113.02 26.35 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 110.075 -0.343 . . . . 74.0 110.075 -179.668 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.712 HG12 ' HB ' ' A' ' 97' ' ' VAL . 11.0 m -104.46 137.27 34.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 121.205 0.526 . . . . 74.25 111.695 -176.877 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.423 ' HA2' ' HA ' ' B' ' 6' ' ' LYS . . . -133.16 160.04 23.78 Favored Glycine 0 N--CA 1.442 -0.947 0 CA-C-N 115.363 -0.835 . . . . 64.22 111.497 174.418 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -143.8 136.64 23.94 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.761 0 N-CA-C 109.178 -0.675 . . . . 71.32 109.178 179.088 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' GLY . . . . . 0.402 ' HA2' ' HG ' ' B' ' 4' ' ' LEU . . . -153.41 170.01 32.23 Favored Glycine 0 C--O 1.228 -0.22 0 N-CA-C 111.472 -0.651 . . . . 64.2 111.472 -177.723 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.728 ' HD3' ' HG ' ' B' ' 4' ' ' LEU . 3.1 Cg_exo -73.62 135.0 21.18 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.489 2.126 . . . . 75.13 111.385 -178.65 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' ASN . . . . . 0.525 ' HB2' ' HB2' ' A' ' 94' ' ' ALA . 19.2 t-20 -88.3 149.14 23.95 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.644 -0.502 . . . . 63.43 109.644 178.448 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -63.02 -13.49 36.06 Favored 'General case' 0 N--CA 1.466 0.372 0 O-C-N 123.194 0.309 . . . . 74.31 111.45 -178.167 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -67.16 -24.29 65.87 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-O 121.149 0.5 . . . . 62.35 110.589 174.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.13 34.97 3.53 Favored Glycine 0 CA--C 1.516 0.146 0 CA-C-N 115.822 -0.626 . . . . 52.42 111.799 -175.814 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -148.31 -144.53 3.99 Favored Glycine 0 C--N 1.33 0.233 0 N-CA-C 111.202 -0.759 . . . . 74.12 111.202 -179.476 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 31.5 m-85 -105.99 164.68 11.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 117.124 0.462 . . . . 72.25 111.045 178.891 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.525 ' HB2' ' HB2' ' A' ' 88' ' ' ASN . . . -149.29 131.56 15.53 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 108.88 -0.785 . . . . 73.43 108.88 177.548 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -100.17 146.8 26.41 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.128 0.49 . . . . 75.45 111.16 -177.833 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -137.09 132.03 33.52 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 114.567 -1.197 . . . . 62.1 108.603 -177.356 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.741 HG13 HG22 ' A' ' 134' ' ' VAL . 0.6 OUTLIER -146.77 122.06 2.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 121.475 0.655 . . . . 41.42 111.642 174.883 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -100.06 123.04 43.85 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.212 -0.904 . . . . 51.52 110.023 -179.117 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 73.1 mt -105.46 106.48 17.0 Favored 'General case' 0 C--O 1.233 0.225 0 N-CA-C 109.765 -0.457 . . . . 73.33 109.765 175.452 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.474 ' HA ' HG13 ' A' ' 137' ' ' VAL . 12.5 ttt85 -103.62 107.8 18.81 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.254 -0.885 . . . . 73.43 109.388 -175.822 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 53.3 t -102.5 97.47 5.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 120.627 0.251 . . . . 72.23 110.612 -172.158 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -91.91 101.25 13.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.908 0.385 . . . . 73.1 110.337 -179.322 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.435 HD23 ' HB ' ' A' ' 77' ' ' THR . 3.4 mt -116.42 116.95 38.91 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 115.924 -0.58 . . . . 73.31 110.023 -179.389 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -74.47 149.37 39.28 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.439 2.093 . . . . 73.52 112.38 -179.419 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 68.92 15.11 68.87 Favored Glycine 0 CA--C 1.523 0.59 0 CA-C-N 115.644 -0.707 . . . . 54.45 113.122 -179.635 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.436 HD21 ' HA ' ' A' ' 111' ' ' ALA . 37.3 tp -121.7 141.96 50.64 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 120.75 0.309 . . . . 65.03 111.018 -176.641 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -76.42 164.3 26.12 Favored 'General case' 0 CA--C 1.513 -0.471 0 CA-C-N 116.126 -0.488 . . . . 72.42 110.793 178.777 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.448 ' O ' ' HG3' ' A' ' 112' ' ' LYS . . . -68.63 -45.61 71.41 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.27 -0.877 . . . . 74.35 109.908 170.918 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -64.36 -42.21 96.32 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 115.4 -0.818 . . . . 64.13 110.906 -175.42 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 0.505 ' O ' HG22 ' A' ' 113' ' ' THR . . . -72.77 -44.12 61.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.725 -0.67 . . . . 73.25 110.009 178.066 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 111' ' ' ALA . . . . . 0.436 ' HA ' HD21 ' A' ' 106' ' ' LEU . . . -54.76 -40.94 69.88 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.018 -0.537 . . . . 54.13 111.139 179.684 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 112' ' ' LYS . . . . . 0.448 ' HG3' ' O ' ' A' ' 108' ' ' ALA . 9.9 mtpm? -54.25 -49.35 69.71 Favored 'General case' 0 CA--C 1.529 0.171 0 CA-C-O 120.577 0.227 . . . . 74.23 110.963 178.288 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 113' ' ' THR . . . . . 0.505 HG22 ' O ' ' A' ' 110' ' ' ALA . 0.9 OUTLIER -70.08 -34.98 73.85 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 116.556 -0.293 . . . . 74.22 110.306 -176.417 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.47 ' HG ' ' O ' ' A' ' 110' ' ' ALA . 42.3 mt -64.73 -50.08 68.31 Favored 'General case' 0 N--CA 1.46 0.032 0 CA-C-N 116.32 -0.4 . . . . 61.01 110.254 179.33 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.508 HG21 HG12 ' A' ' 138' ' ' VAL . 87.6 t -63.9 -35.14 72.29 Favored 'Isoleucine or valine' 0 C--O 1.238 0.476 0 CA-C-N 116.322 -0.399 . . . . 72.22 110.53 178.304 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -58.66 -61.23 2.76 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 116.148 -0.478 . . . . 63.5 109.949 178.612 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 117' ' ' ARG . . . . . 0.431 ' HG2' ' O ' ' A' ' 113' ' ' THR . 10.8 ptm180 -64.97 -36.12 83.37 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.144 -0.48 . . . . 65.24 110.637 -177.382 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -57.0 -51.82 67.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.006 -0.543 . . . . 63.41 111.257 179.706 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 10.5 p-80 -77.79 1.4 20.34 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 121.176 -0.209 . . . . 74.13 110.628 -179.288 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 47.7 t-80 -101.25 -35.17 9.36 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.555 -0.293 . . . . 75.14 110.791 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 34.5 m -82.51 -20.81 9.74 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.289 0 CA-C-N 116.389 -0.369 . . . . 74.54 111.01 -178.831 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 74.0 m -83.98 146.08 48.01 Favored Pre-proline 0 CA--C 1.532 0.282 0 CA-C-N 116.234 -0.439 . . . . 72.12 110.183 178.34 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -53.08 -30.61 50.45 Favored 'Trans proline' 0 C--N 1.353 0.807 0 C-N-CA 122.787 2.325 . . . . 74.45 112.192 179.243 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -81.82 69.66 8.55 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 108.387 -0.968 . . . . 65.44 108.387 177.823 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 125' ' ' SER . . . . . 0.556 ' O ' HG22 ' A' ' 128' ' ' THR . 30.8 t -118.53 -81.01 0.62 Allowed 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 116.014 -0.539 . . . . 62.44 111.466 -174.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 33.5 t30 -60.33 -41.85 94.43 Favored 'General case' 0 C--O 1.237 0.434 0 CA-C-O 121.614 0.721 . . . . 73.42 109.941 -177.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -68.38 -13.32 62.2 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 114.953 -1.021 . . . . 54.1 111.756 -179.158 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 128' ' ' THR . . . . . 0.556 HG22 ' O ' ' A' ' 125' ' ' SER . 0.6 OUTLIER -107.95 3.29 24.0 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.243 0.544 . . . . 73.21 110.009 -171.643 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 129' ' ' ARG . . . . . 0.407 ' HG3' ' N ' ' A' ' 130' ' ' ASN . 14.2 ptm180 -128.22 -59.52 1.17 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.135 -0.484 . . . . 72.04 110.862 179.651 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 130' ' ' ASN . . . . . 0.407 ' N ' ' HG3' ' A' ' 129' ' ' ARG . 88.3 m-20 -79.4 -34.28 41.95 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.86 0.362 . . . . 71.52 111.195 -177.365 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 -89.64 -37.94 14.27 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 116.193 -0.458 . . . . 72.12 111.36 -176.379 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 99.3 t -121.29 138.19 52.48 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.42 0 N-CA-C 110.4 -0.222 . . . . 70.22 110.4 -179.275 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -78.52 92.91 4.71 Favored 'General case' 0 C--O 1.24 0.565 0 CA-C-O 121.424 0.631 . . . . 45.42 111.333 -178.176 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 134' ' ' VAL . . . . . 0.741 HG22 HG13 ' A' ' 97' ' ' VAL . 90.1 t -106.59 130.05 59.06 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.536 0 CA-C-N 115.239 -0.891 . . . . 75.02 110.738 176.816 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 13.8 mmt180 -95.26 102.57 14.39 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 108.596 -0.89 . . . . 72.41 108.596 176.407 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' A' ' 136' ' ' LEU . 40.1 mt -77.81 110.95 13.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.409 0.623 . . . . 50.04 110.547 178.688 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 137' ' ' VAL . . . . . 0.474 HG13 ' HA ' ' A' ' 100' ' ' ARG . 0.2 OUTLIER -126.37 115.6 42.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 115.079 -0.964 . . . . 74.42 110.086 -178.648 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 138' ' ' VAL . . . . . 0.508 HG12 HG21 ' A' ' 115' ' ' VAL . 3.4 m -93.3 138.96 19.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.772 -0.649 . . . . 53.11 109.816 179.485 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.315 -0.894 0 CA-C-N 115.971 -0.558 . . . . 73.13 110.807 -175.242 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 27.4 ptm . . . . . 0 C--O 1.235 0.317 0 CA-C-O 121.257 0.551 . . . . 72.42 110.358 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 36.9 t30 -100.48 86.24 3.12 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.264 -0.88 . . . . 61.35 109.527 177.731 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 3' ' ' ILE . . . . . 0.59 HG21 ' HB2' ' B' ' 6' ' ' LYS . 25.8 mm -66.24 118.67 9.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 115.83 -0.623 . . . . 72.42 111.029 178.711 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.728 ' HG ' ' HD3' ' A' ' 87' ' ' PRO . 90.1 mt -70.61 -44.26 67.63 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.424 -0.807 . . . . 75.25 109.842 177.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 5' ' ' TYR . . . . . . . . . . . . . 29.8 t80 -139.89 129.83 24.82 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.957 -0.565 . . . . 75.45 110.898 -178.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 6' ' ' LYS . . . . . 0.59 ' HB2' HG21 ' B' ' 3' ' ' ILE . 28.4 ttmt -137.85 130.06 29.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.985 0.421 . . . . 65.01 110.814 174.683 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 7' ' ' THR . . . . . 0.439 HG21 ' HB2' ' A' ' 48' ' ' GLN . 9.5 t -128.12 141.36 51.51 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.689 -0.687 . . . . 72.52 109.535 177.201 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 8' ' ' ALA . . . . . 0.482 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . . . -109.81 135.88 50.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.043 0.449 . . . . 64.22 110.879 -177.459 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -122.62 136.42 54.88 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.33 -0.619 . . . . 31.45 109.33 175.39 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 9.3 t -120.99 121.28 37.64 Favored 'General case' 0 N--CA 1.443 -0.81 0 N-CA-C 108.117 -1.068 . . . . 64.31 108.117 -177.837 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 70.4 m -119.13 113.47 20.96 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-N 115.559 -0.746 . . . . 74.14 110.661 -171.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 4.4 m -95.86 157.12 16.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 53.42 110.714 -177.535 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -93.09 65.71 1.91 Allowed Glycine 0 N--CA 1.452 -0.29 0 N-CA-C 110.826 -0.91 . . . . 71.12 110.826 174.624 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -56.49 -100.94 0.01 OUTLIER Glycine 0 C--N 1.339 0.702 0 C-N-CA 121.33 -0.462 . . . . 73.4 113.26 -176.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 4.4 mpt_? -88.82 -52.8 4.93 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 122.534 -0.392 . . . . 65.14 110.76 178.504 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 16' ' ' ASP . . . . . 0.491 ' HB2' ' HB3' ' B' ' 41' ' ' ALA . 10.0 t0 -125.84 -43.42 1.85 Allowed 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 121.407 0.623 . . . . 65.33 109.38 178.103 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 17' ' ' GLY . . . . . 0.52 ' O ' ' HG3' ' B' ' 29' ' ' LYS . . . -171.17 159.09 30.86 Favored Glycine 0 C--N 1.335 0.488 0 N-CA-C 110.479 -1.048 . . . . 74.22 110.479 160.337 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 18' ' ' ARG . . . . . 0.491 ' HA ' ' HA ' ' B' ' 29' ' ' LYS . 71.0 ttt180 -141.35 152.62 44.54 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 117.762 0.781 . . . . 74.4 110.524 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -145.82 124.03 12.22 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 116.259 -0.428 . . . . 64.21 110.325 179.509 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 27.9 m -132.73 112.43 11.98 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.329 -0.396 . . . . 75.11 110.433 -177.629 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 21' ' ' SER . . . . . 0.494 ' HB3' ' N ' ' B' ' 26' ' ' LEU . 31.3 t -68.42 108.0 3.09 Favored 'General case' 0 C--O 1.246 0.875 0 N-CA-C 107.47 -1.307 . . . . 74.21 107.47 175.38 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 22' ' ' HIS . . . . . . . . . . . . . 84.7 t60 -61.26 -14.88 29.53 Favored 'General case' 0 N--CA 1.468 0.431 0 O-C-N 125.626 1.829 . . . . 73.12 112.363 -166.493 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 23' ' ' ASP . . . . . 0.498 ' HB2' ' HG2' ' B' ' 25' ' ' LYS . 2.2 m-20 -80.19 12.38 2.91 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.465 -0.569 . . . . 63.54 109.465 176.559 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 29.5 mm-40 67.9 24.13 8.14 Favored 'General case' 0 CA--C 1.519 -0.247 0 CA-C-N 115.137 -0.938 . . . . 71.43 109.734 -179.08 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 25' ' ' LYS . . . . . 0.498 ' HG2' ' HB2' ' B' ' 23' ' ' ASP . 75.4 mmtt -82.68 -35.07 27.14 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 114.813 -1.085 . . . . 41.25 110.026 178.084 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 26' ' ' LEU . . . . . 0.494 ' N ' ' HB3' ' B' ' 21' ' ' SER . 58.5 tp -147.78 146.66 29.26 Favored 'General case' 0 C--N 1.345 0.406 0 C-N-CA 120.017 -0.673 . . . . 71.52 111.759 -174.777 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -153.47 97.76 2.17 Favored 'General case' 0 C--N 1.331 -0.21 0 O-C-N 123.701 0.626 . . . . 53.33 109.421 173.366 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 4.4 m -141.07 177.87 3.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 121.277 0.561 . . . . 74.12 111.46 179.687 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 29' ' ' LYS . . . . . 0.52 ' HG3' ' O ' ' B' ' 17' ' ' GLY . 35.6 tttm -131.72 143.43 50.25 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 114.902 -1.045 . . . . 64.31 110.108 -177.724 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 30' ' ' LEU . . . . . 0.806 ' HA ' ' H ' ' B' ' 44' ' ' THR . 0.0 OUTLIER -127.98 176.98 7.19 Favored 'General case' 0 C--O 1.253 1.285 0 CA-C-O 121.116 0.484 . . . . 72.32 110.695 176.043 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 12.0 p -145.71 153.62 41.17 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.058 -0.974 . . . . 62.35 111.677 -174.745 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -93.32 129.18 39.83 Favored Pre-proline 0 C--O 1.236 0.387 0 CA-C-N 115.969 -0.56 . . . . 75.13 109.681 174.027 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 33' ' ' PRO . . . . . 0.454 ' HG3' ' ND2' ' B' ' 45' ' ' ASN . 74.0 Cg_exo -49.33 107.88 0.17 Allowed 'Trans proline' 0 C--N 1.352 0.757 0 C-N-CA 122.874 2.383 . . . . 71.3 112.495 -177.927 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 34' ' ' ARG . . . . . 0.537 ' HB2' ' HA3' ' B' ' 40' ' ' GLY . 62.6 ttt180 -64.84 -20.16 66.26 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 120.909 0.385 . . . . 71.43 110.872 -178.09 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 42.4 mm-40 -50.29 -27.87 6.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.579 -0.737 . . . . 72.42 111.482 175.905 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 41.7 mt -110.47 13.52 22.72 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.969 -0.559 . . . . 63.52 111.008 -173.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 94.75 59.73 1.12 Allowed Glycine 0 C--N 1.333 0.414 0 CA-C-N 115.925 -0.579 . . . . 51.22 112.774 178.773 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 38' ' ' GLY . . . . . 0.453 ' H ' ' HA ' ' B' ' 34' ' ' ARG . . . -128.72 -134.83 3.88 Favored Glycine 0 C--N 1.333 0.378 0 N-CA-C 111.705 -0.558 . . . . 64.12 111.705 179.149 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 39' ' ' ALA . . . . . 0.412 ' O ' ' HD2' ' B' ' 34' ' ' ARG . . . -118.34 -29.0 5.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.635 0.255 . . . . 71.25 110.831 179.742 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 40' ' ' GLY . . . . . 0.537 ' HA3' ' HB2' ' B' ' 34' ' ' ARG . . . 52.39 47.74 55.87 Favored Glycine 0 C--N 1.334 0.451 0 CA-C-N 116.164 -0.471 . . . . 53.13 113.487 177.734 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 41' ' ' ALA . . . . . 0.491 ' HB3' ' HB2' ' B' ' 16' ' ' ASP . . . -79.44 174.81 11.19 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.684 0.278 . . . . 45.11 110.796 178.024 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 42' ' ' GLU . . . . . 0.421 ' O ' ' HG3' ' B' ' 42' ' ' GLU . 10.7 pt-20 -68.41 80.56 0.25 Allowed 'General case' 0 CA--C 1.534 0.358 0 CA-C-O 121.662 0.744 . . . . 74.14 110.355 176.676 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -145.74 -170.62 14.66 Favored Glycine 0 C--N 1.316 -0.558 0 CA-C-N 115.607 -0.724 . . . . 72.12 112.449 175.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 44' ' ' THR . . . . . 0.806 ' H ' ' HA ' ' B' ' 30' ' ' LEU . 31.2 p -102.08 179.32 4.36 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.864 0.364 . . . . 35.03 111.029 179.069 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 45' ' ' ASN . . . . . 0.492 ' HB3' ' OE2' ' B' ' 47' ' ' GLU . 11.4 m120 -97.99 126.7 39.43 Favored Pre-proline 0 C--N 1.326 -0.448 0 CA-C-N 115.869 -0.605 . . . . 71.14 110.228 178.841 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 46' ' ' PRO . . . . . . . . . . . . . 29.0 Cg_endo -63.68 -50.13 3.57 Favored 'Trans proline' 0 C--O 1.241 0.648 0 C-N-CA 122.63 2.22 . . . . 54.41 112.539 -178.604 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 47' ' ' GLU . . . . . 0.492 ' OE2' ' HB3' ' B' ' 45' ' ' ASN . 4.1 pm0 -62.22 -32.91 73.64 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 120.951 0.405 . . . . 73.03 110.133 179.228 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -64.93 -45.69 84.77 Favored 'General case' 0 C--O 1.225 -0.193 0 CA-C-N 115.927 -0.578 . . . . 65.22 109.564 174.01 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 49' ' ' LEU . . . . . 0.562 HD12 ' HA3' ' A' ' 53' ' ' GLY . 2.5 tm? -55.35 -49.73 71.51 Favored 'General case' 0 C--O 1.237 0.444 0 CA-C-N 115.847 -0.615 . . . . 73.15 109.856 -178.422 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 43.9 t80 -63.24 -42.76 99.24 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 116.258 -0.428 . . . . 74.53 110.681 176.789 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 51' ' ' ALA . . . . . 0.403 ' HB2' HG11 ' B' ' 83' ' ' VAL . . . -56.29 -53.19 60.18 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-O 120.821 0.343 . . . . 63.22 111.691 179.762 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 52' ' ' ALA . . . . . 0.44 ' HB1' ' HB1' ' A' ' 19' ' ' ALA . . . -62.66 -51.98 65.11 Favored 'General case' 0 C--O 1.239 0.512 0 CA-C-O 121.004 0.43 . . . . 74.31 110.79 -179.66 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 53' ' ' GLY . . . . . 0.435 ' HA3' HD12 ' A' ' 49' ' ' LEU . . . -57.52 -41.95 93.71 Favored Glycine 0 C--O 1.226 -0.394 0 CA-C-N 115.668 -0.696 . . . . 73.22 112.207 -179.843 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -67.15 -50.22 62.04 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 122.854 0.461 . . . . 73.14 111.067 -179.734 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 34.5 p -57.95 -43.48 86.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.684 0.278 . . . . 71.55 110.5 -177.736 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -68.68 -44.33 74.26 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 116.104 -0.498 . . . . 72.32 110.527 176.339 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 57' ' ' CYS . . . . . . . . . . . . . 52.2 t -57.98 -35.91 71.87 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 115.878 -0.601 . . . . 72.4 110.92 -179.259 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 37.7 t80 -57.41 -33.94 68.39 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-O 121.109 0.481 . . . . 52.32 109.921 -178.03 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 7.4 tt -70.71 -44.39 66.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.618 -0.719 . . . . 64.41 109.449 177.865 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 60' ' ' SER . . . . . 0.407 ' O ' ' HB3' ' B' ' 63' ' ' LYS . 1.8 m -55.69 -46.26 77.65 Favored 'General case' 0 C--O 1.241 0.626 0 CA-C-O 121.432 0.634 . . . . 73.23 110.275 177.475 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -60.93 -49.5 77.19 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 115.436 -0.802 . . . . 44.1 110.045 177.822 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 62' ' ' MET . . . . . 0.406 ' HB3' HD11 ' B' ' 73' ' ' LEU . 71.3 mmm -64.11 -22.61 67.0 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.895 -0.593 . . . . 71.0 111.005 177.656 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 63' ' ' LYS . . . . . 0.407 ' HB3' ' O ' ' B' ' 60' ' ' SER . 27.0 ttpp -71.63 -44.69 63.92 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.676 -0.49 . . . . 72.03 109.676 176.475 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 39.9 t80 -63.37 -41.86 98.84 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-O 121.115 0.483 . . . . 73.11 110.044 174.045 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 41.7 t -59.36 -49.05 84.94 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.156 0 CA-C-N 115.671 -0.695 . . . . 75.05 110.645 177.025 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -56.61 -32.79 65.63 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.002 -0.545 . . . . 74.13 110.612 -178.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -67.12 -32.48 80.51 Favored Glycine 0 CA--C 1.518 0.245 0 CA-C-N 115.426 -0.806 . . . . 75.04 112.57 -178.686 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -97.87 -12.58 21.96 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 121.508 0.67 . . . . 64.5 109.637 -179.373 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -95.12 -0.11 53.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.237 -0.892 . . . . 65.21 110.733 177.689 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 2.4 mptp? 63.1 24.25 14.35 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 115.756 -0.656 . . . . 73.12 111.816 175.681 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -118.56 169.57 9.68 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.16 -0.473 . . . . 74.24 110.516 -178.667 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 17.3 p -126.42 141.08 52.02 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.986 -0.552 . . . . 74.12 109.985 176.551 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 73' ' ' LEU . . . . . 0.406 HD11 ' HB3' ' B' ' 62' ' ' MET . 95.9 mt -96.35 137.93 21.57 Favored Pre-proline 0 C--N 1.327 -0.403 0 CA-C-N 116.533 -0.303 . . . . 75.15 110.429 -179.1 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 74' ' ' PRO . . . . . 0.48 ' HD2' HD11 ' B' ' 103' ' ' LEU . 31.9 Cg_exo -60.38 131.62 39.42 Favored 'Trans proline' 0 C--N 1.349 0.56 0 C-N-CA 122.644 2.229 . . . . 62.01 112.064 177.359 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -77.21 -15.6 59.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.837 0.351 . . . . 71.53 111.888 -176.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -84.9 5.09 30.38 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-O 121.08 0.467 . . . . 60.22 111.295 -178.141 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 77' ' ' THR . . . . . 0.516 ' HA ' ' HD3' ' B' ' 104' ' ' PRO . 13.5 t -75.19 158.54 32.84 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-O 121.0 0.429 . . . . 73.25 111.469 -176.371 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 7.4 m -149.9 149.16 30.03 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 115.76 -0.655 . . . . 71.23 110.133 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 76.6 t -130.85 122.89 53.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 N-CA-C 109.801 -0.444 . . . . 54.24 109.801 175.01 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 80' ' ' THR . . . . . 0.541 ' HA ' ' HA ' ' A' ' 10' ' ' THR . 23.4 m -106.91 110.23 22.33 Favored 'General case' 0 C--N 1.32 -0.678 0 C-N-CA 120.87 -0.332 . . . . 72.42 110.845 -179.044 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -96.84 118.12 32.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.987 -0.551 . . . . 73.43 110.153 178.27 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 82' ' ' GLU . . . . . 0.476 ' HA ' ' HA ' ' A' ' 8' ' ' ALA . 32.8 tt0 -120.98 107.72 13.0 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.217 -0.66 . . . . 71.23 109.217 179.27 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 83' ' ' VAL . . . . . 0.418 ' O ' ' HG3' ' A' ' 6' ' ' LYS . 19.8 m -102.37 146.21 10.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.053 -0.521 . . . . 71.44 111.175 -172.68 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 84' ' ' GLY . . . . . 0.423 ' HA2' ' HA ' ' A' ' 6' ' ' LYS . . . -144.15 166.96 27.01 Favored Glycine 0 N--CA 1.445 -0.761 0 CA-C-N 115.827 -0.624 . . . . 52.45 112.269 -178.549 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -142.46 135.99 27.68 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 N-CA-C 109.047 -0.723 . . . . 73.1 109.047 -179.874 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -148.99 169.86 29.4 Favored Glycine 0 CA--C 1.519 0.332 0 O-C-N 123.867 0.73 . . . . 52.3 111.535 -179.061 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 87' ' ' PRO . . . . . 0.709 ' HD3' ' HG ' ' A' ' 4' ' ' LEU . 15.2 Cg_exo -68.4 132.66 26.17 Favored 'Trans proline' 0 C--O 1.237 0.472 0 C-N-CA 122.674 2.25 . . . . 61.3 111.985 -177.875 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 88' ' ' ASN . . . . . . . . . . . . . 53.3 t-20 -93.14 140.59 29.34 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.078 -0.712 . . . . 72.3 109.078 176.493 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -64.12 -15.5 59.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.092 0.472 . . . . 65.22 111.075 -178.653 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -67.31 -19.31 65.46 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 115.644 -0.707 . . . . 74.05 110.36 175.626 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.06 27.52 6.22 Favored Glycine 0 N--CA 1.454 -0.157 0 CA-C-N 115.741 -0.663 . . . . 72.2 112.194 -179.58 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . -142.66 -141.62 3.9 Favored Glycine 0 C--N 1.331 0.284 0 N-CA-C 111.404 -0.678 . . . . 70.13 111.404 178.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 93' ' ' PHE . . . . . 0.408 ' HE1' ' CZ ' ' A' ' 64' ' ' PHE . 17.7 m-85 -111.39 159.26 18.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.902 0.382 . . . . 73.12 110.595 177.895 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -140.68 135.56 31.76 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.721 -0.672 . . . . 62.21 109.458 177.494 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -97.2 148.92 22.59 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.125 0.488 . . . . 74.21 110.918 -177.707 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 96' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -134.8 110.48 9.22 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.106 -0.952 . . . . 73.53 109.054 179.784 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 97' ' ' VAL . . . . . 0.731 ' HB ' HG22 ' B' ' 134' ' ' VAL . 58.5 t -111.29 110.8 33.52 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.937 0 CA-C-O 120.716 0.293 . . . . 65.34 110.694 -178.783 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -96.68 117.25 30.6 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.418 -0.355 . . . . 74.42 110.152 178.384 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 81.5 mt -107.56 110.79 22.78 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.786 -0.45 . . . . 61.12 109.786 178.051 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 100' ' ' ARG . . . . . 0.479 ' HA ' ' O ' ' B' ' 137' ' ' VAL . 90.9 mtt180 -99.4 119.77 38.51 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.781 -0.452 . . . . 64.11 109.781 -177.701 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 101' ' ' VAL . . . . . . . . . . . . . 93.7 t -102.23 109.28 25.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 116.028 -0.533 . . . . 60.12 111.073 -175.058 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -108.89 101.4 10.5 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.958 -0.386 . . . . 53.32 109.958 175.535 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 103' ' ' LEU . . . . . 0.762 HD23 HD22 ' B' ' 106' ' ' LEU . 25.6 tp -112.79 117.23 46.8 Favored Pre-proline 0 C--N 1.326 -0.432 0 N-CA-C 108.862 -0.792 . . . . 72.24 108.862 177.914 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 104' ' ' PRO . . . . . 0.556 ' HD2' HD12 ' B' ' 103' ' ' LEU . 33.8 Cg_endo -63.78 141.41 78.51 Favored 'Trans proline' 0 C--O 1.237 0.455 0 C-N-CA 122.799 2.333 . . . . 74.24 112.685 -174.394 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 105' ' ' GLY . . . . . . . . . . . . . . . 69.58 8.47 60.06 Favored Glycine 0 N--CA 1.45 -0.427 0 CA-C-N 114.757 -1.11 . . . . 72.34 113.118 179.561 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 106' ' ' LEU . . . . . 0.762 HD22 HD23 ' B' ' 103' ' ' LEU . 25.5 tp -102.65 136.42 42.51 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-O 121.304 0.573 . . . . 60.53 111.129 -178.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 41.6 m-20 -75.29 142.81 43.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.216 -0.902 . . . . 63.12 110.578 176.172 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 108' ' ' ALA . . . . . 0.402 ' O ' ' HG2' ' B' ' 112' ' ' LYS . . . -61.1 -40.56 94.2 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.721 0.296 . . . . 34.32 110.942 177.671 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -56.57 -48.74 76.7 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.19 -0.459 . . . . 64.51 110.641 -179.739 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 110' ' ' ALA . . . . . 0.535 ' O ' ' HG ' ' B' ' 114' ' ' LEU . . . -70.97 -38.62 72.78 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.924 -0.58 . . . . 72.03 109.976 178.102 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 111' ' ' ALA . . . . . 0.431 ' O ' HG23 ' B' ' 115' ' ' VAL . . . -55.03 -39.67 69.39 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.58 -0.736 . . . . 64.14 110.981 -178.319 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 112' ' ' LYS . . . . . 0.402 ' HG2' ' O ' ' B' ' 108' ' ' ALA . 33.9 mmtp -51.94 -47.53 64.7 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 116.103 -0.499 . . . . 74.45 111.077 179.798 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 113' ' ' THR . . . . . . . . . . . . . 1.3 t -82.09 -34.11 29.49 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 116.376 -0.374 . . . . 72.03 110.94 -175.262 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 114' ' ' LEU . . . . . 0.535 ' HG ' ' O ' ' B' ' 110' ' ' ALA . 38.0 mt -62.99 -44.51 95.83 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-O 121.19 0.519 . . . . 70.23 109.994 179.198 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 115' ' ' VAL . . . . . 0.607 HG21 HG12 ' B' ' 138' ' ' VAL . 73.6 t -62.32 -35.1 67.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 115.444 -0.798 . . . . 63.55 110.293 177.427 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -64.01 -61.25 2.39 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 116.155 -0.475 . . . . 75.43 110.897 179.778 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 117' ' ' ARG . . . . . . . . . . . . . 7.5 ptm85 -60.18 -40.35 89.7 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.29 -0.413 . . . . 70.2 111.007 -177.02 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -59.15 -46.45 88.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.243 0.545 . . . . 61.11 110.285 175.726 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 47.3 m80 -80.16 4.12 18.42 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.911 -0.586 . . . . 74.31 111.592 179.517 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 16.3 t-80 -101.86 -20.24 14.97 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.544 -0.298 . . . . 61.52 110.724 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 35.2 m -106.44 -29.92 2.66 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.417 0 N-CA-C 112.383 0.512 . . . . 63.42 112.383 -176.475 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 122' ' ' CYS . . . . . 0.489 ' HA ' ' HD3' ' B' ' 123' ' ' PRO . 75.6 m -67.45 129.93 93.49 Favored Pre-proline 0 CA--C 1.539 0.553 0 N-CA-C 111.665 0.246 . . . . 74.53 111.665 -175.914 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 123' ' ' PRO . . . . . 0.489 ' HD3' ' HA ' ' B' ' 122' ' ' CYS . 36.7 Cg_exo -62.11 -26.06 77.8 Favored 'Trans proline' 0 C--N 1.356 0.944 0 C-N-CA 123.569 2.846 . . . . 65.25 113.541 -176.659 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 124' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 . . . . . 0 N--CA 1.469 0.513 0 CA-C-O 120.656 0.265 . . . . 65.35 110.312 176.498 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 128' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.225 -0.213 0 N-CA-C 109.344 -0.614 . . . . 55.14 109.344 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 129' ' ' ARG . . . . . 0.429 ' HG3' ' N ' ' B' ' 130' ' ' ASN . 16.9 ptm180 -99.87 -47.26 5.1 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-O 121.607 0.718 . . . . 75.21 109.21 -178.011 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 130' ' ' ASN . . . . . 0.429 ' N ' ' HG3' ' B' ' 129' ' ' ARG . 85.3 m-20 -79.54 -26.59 41.4 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 114.788 -1.096 . . . . 74.14 111.761 -175.433 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 131' ' ' ASN . . . . . 0.715 HD22 HG13 ' B' ' 132' ' ' VAL . 7.5 t30 -100.57 -37.28 8.85 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 116.129 -0.487 . . . . 75.43 111.695 -173.377 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 132' ' ' VAL . . . . . 0.715 HG13 HD22 ' B' ' 131' ' ' ASN . 15.5 m -131.4 177.85 6.4 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.656 0 CA-C-O 120.549 0.214 . . . . 52.13 111.061 -177.938 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 133' ' ' ALA . . . . . . . . . . . . . . . -92.0 99.9 12.65 Favored 'General case' 0 C--O 1.24 0.589 0 CA-C-O 121.488 0.661 . . . . 72.23 111.877 -173.464 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 134' ' ' VAL . . . . . 0.731 HG22 ' HB ' ' B' ' 97' ' ' VAL . 83.1 t -124.25 108.48 20.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.063 -0.971 . . . . 61.1 110.465 176.58 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 2.7 ttt85 -77.77 108.57 11.09 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.356 -0.838 . . . . 74.32 110.391 178.165 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 78.9 mt -81.76 119.41 23.84 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.033 -0.53 . . . . 72.41 110.3 176.195 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 137' ' ' VAL . . . . . 0.479 ' O ' ' HA ' ' B' ' 100' ' ' ARG . 0.1 OUTLIER -127.71 121.88 57.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.64 -0.709 . . . . 72.22 109.656 -178.95 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 138' ' ' VAL . . . . . 0.607 HG12 HG21 ' B' ' 115' ' ' VAL . 2.4 m -97.01 138.21 22.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 N-CA-C 109.383 -0.599 . . . . 70.52 109.383 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 139' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.162 0 CA-C-O 118.599 -0.715 . . . . 71.35 110.878 -175.566 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.6 ptm . . . . . 0 N--CA 1.484 1.231 0 CA-C-O 120.874 0.369 . . . . 71.43 110.071 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 47.5 t30 -98.62 86.72 3.63 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.045 -0.525 . . . . 75.52 109.871 178.535 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.526 HG21 ' HB2' ' A' ' 6' ' ' LYS . 28.8 mm -64.32 116.4 3.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.978 -0.556 . . . . 51.02 110.927 177.527 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.675 ' HG ' ' HD3' ' B' ' 87' ' ' PRO . 88.5 mt -75.74 -43.62 45.85 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.453 -0.794 . . . . 74.21 110.069 178.866 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 46.9 t80 -138.85 130.7 27.78 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.979 -0.555 . . . . 54.43 110.063 -176.491 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.526 ' HB2' HG21 ' A' ' 3' ' ' ILE . 28.4 ttmt -143.78 131.22 21.01 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.137 0.494 . . . . 62.42 111.064 176.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 5.8 t -121.36 166.3 14.27 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 114.995 -1.002 . . . . 73.02 109.27 175.9 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.404 ' HB2' ' HG3' ' B' ' 82' ' ' GLU . . . -136.96 147.68 46.48 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.707 0.289 . . . . 64.34 110.78 -175.006 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -139.85 124.06 17.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.247 -0.433 . . . . 65.14 110.585 179.488 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 7.8 t -96.79 130.82 43.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.321 -0.4 . . . . 73.43 110.029 179.185 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 10.9 p -123.14 138.05 54.75 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.238 0.542 . . . . 71.32 111.626 -176.669 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.421 HG22 ' N ' ' A' ' 13' ' ' GLY . 6.7 m -109.59 167.28 10.25 Favored 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 123.317 0.647 . . . . 72.12 109.911 177.288 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.421 ' N ' HG22 ' A' ' 12' ' ' THR . . . -78.32 5.73 54.21 Favored Glycine 0 CA--C 1.526 0.731 0 C-N-CA 120.923 -0.656 . . . . 62.44 113.553 176.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 30.05 -129.6 0.13 Allowed Glycine 0 C--N 1.344 0.98 0 O-C-N 123.646 0.262 . . . . 62.02 113.364 -174.646 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 31.8 mmt180 -88.8 -38.23 14.8 Favored 'General case' 0 C--O 1.236 0.368 0 N-CA-C 107.88 -1.156 . . . . 73.04 107.88 164.769 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.531 ' HB3' ' HA ' ' A' ' 31' ' ' SER . 24.9 t0 -125.42 -42.66 1.95 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 114.991 -1.004 . . . . 74.22 109.608 173.544 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.446 ' O ' ' HG3' ' A' ' 29' ' ' LYS . . . -165.97 163.65 36.91 Favored Glycine 0 C--N 1.342 0.892 0 C-N-CA 120.62 -0.8 . . . . 73.12 111.352 169.32 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.635 ' HA ' ' HA ' ' A' ' 29' ' ' LYS . 51.9 ttt180 -149.49 148.18 29.1 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.379 -0.6 . . . . 73.24 109.379 177.585 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -142.1 124.0 15.27 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.871 0.367 . . . . 71.12 110.267 -175.756 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 25.6 m -130.68 111.31 12.07 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.945 -0.571 . . . . 63.53 110.026 179.512 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.493 ' HB2' ' HB3' ' A' ' 26' ' ' LEU . 11.4 t -74.05 114.45 12.39 Favored 'General case' 0 C--O 1.246 0.887 0 N-CA-C 107.709 -1.219 . . . . 62.3 107.709 177.853 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.415 ' C ' ' H ' ' A' ' 24' ' ' GLN . 9.7 t60 -53.37 -33.99 55.82 Favored 'General case' 0 N--CA 1.474 0.773 0 O-C-N 126.155 2.159 . . . . 71.44 112.868 -164.789 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 26.6 p-10 -80.48 18.67 0.88 Allowed 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 121.512 0.672 . . . . 73.43 110.07 -178.14 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.415 ' H ' ' C ' ' A' ' 22' ' ' HIS . 29.9 mm-40 70.65 23.89 4.53 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 114.734 -1.121 . . . . 72.53 110.645 173.186 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.45 ' HA ' ' HD3' ' A' ' 25' ' ' LYS . 69.6 mmtt -84.7 -26.78 27.48 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.673 -0.694 . . . . 73.44 110.447 175.545 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.493 ' HB3' ' HB2' ' A' ' 21' ' ' SER . 58.3 tp -144.54 145.63 31.93 Favored 'General case' 0 C--O 1.224 -0.253 0 C-N-CA 119.37 -0.932 . . . . 74.42 111.882 -178.685 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -160.46 92.77 0.99 Allowed 'General case' 0 N--CA 1.466 0.328 0 O-C-N 123.806 0.691 . . . . 74.13 109.859 173.031 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.578 ' O ' ' HG3' ' A' ' 18' ' ' ARG . 4.1 m -148.78 177.04 0.92 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.535 0 CA-C-O 121.117 0.484 . . . . 62.12 111.626 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.635 ' HA ' ' HA ' ' A' ' 18' ' ' ARG . 22.4 ttpt -125.43 141.62 51.96 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.086 -0.961 . . . . 62.42 109.669 178.242 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.803 ' HA ' ' H ' ' A' ' 44' ' ' THR . 0.0 OUTLIER -122.87 154.64 38.02 Favored 'General case' 0 C--O 1.253 1.263 0 CA-C-O 121.283 0.563 . . . . 64.12 110.607 176.253 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.531 ' HA ' ' HB3' ' A' ' 16' ' ' ASP . 50.0 m -163.05 126.69 2.85 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 114.779 -1.1 . . . . 75.34 109.85 -173.738 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.41 132.72 95.23 Favored Pre-proline 0 C--O 1.237 0.419 0 N-CA-C 109.774 -0.454 . . . . 52.21 109.774 175.134 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_endo -75.54 34.55 0.41 Allowed 'Trans proline' 0 CA--C 1.533 0.444 0 C-N-CA 123.182 2.588 . . . . 73.33 112.467 -176.896 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.488 ' HA ' ' H ' ' A' ' 38' ' ' GLY . 5.7 ttt180 52.35 -92.17 0.03 OUTLIER 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 123.308 0.643 . . . . 50.12 111.492 -174.259 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.419 ' HB2' HD22 ' A' ' 36' ' ' LEU . 33.4 mm-40 56.34 -73.26 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.604 0 O-C-N 123.728 0.643 . . . . 75.14 112.348 178.513 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.475 ' N ' ' O ' ' A' ' 34' ' ' ARG . 1.2 mm? -85.32 -15.62 42.72 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.867 0.365 . . . . 63.44 110.022 -176.012 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 128.26 43.84 0.22 Allowed Glycine 0 C--N 1.333 0.376 0 CA-C-N 115.788 -0.642 . . . . 72.22 112.438 179.58 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.488 ' H ' ' HA ' ' A' ' 34' ' ' ARG . . . -94.6 -131.27 6.24 Favored Glycine 0 CA--C 1.522 0.516 0 C-N-CA 121.329 -0.463 . . . . 73.44 112.359 -179.176 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -99.04 -49.6 4.46 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-O 120.976 0.417 . . . . 63.22 110.771 -178.444 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 82.98 88.85 0.72 Allowed Glycine 0 N--CA 1.451 -0.335 0 CA-C-N 115.831 -0.622 . . . . 45.53 112.707 177.863 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -156.81 170.88 21.46 Favored 'General case' 0 C--O 1.234 0.277 0 N-CA-C 110.304 -0.258 . . . . 44.21 110.304 179.007 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -83.09 72.95 10.1 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-O 121.872 0.844 . . . . 71.23 110.853 179.601 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -132.57 -170.4 12.5 Favored Glycine 0 C--N 1.318 -0.437 0 CA-C-N 114.856 -1.065 . . . . 55.55 111.081 175.875 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.803 ' H ' ' HA ' ' A' ' 30' ' ' LEU . 38.8 m -93.05 140.71 29.2 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 110.056 -0.35 . . . . 74.01 110.056 177.791 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.661 ' HB2' ' HB3' ' A' ' 48' ' ' GLN . 1.2 m-20 -68.25 144.51 96.78 Favored Pre-proline 0 C--N 1.326 -0.428 0 CA-C-N 116.213 -0.449 . . . . 72.33 109.974 177.463 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_exo -60.63 -60.53 0.25 Allowed 'Trans proline' 0 CA--C 1.535 0.572 0 C-N-CA 122.964 2.442 . . . . 63.04 112.838 -177.374 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -65.97 -30.65 71.24 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 120.988 0.423 . . . . 62.13 110.499 -177.121 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.661 ' HB3' ' HB2' ' A' ' 45' ' ' ASN . 27.7 tt0 -65.63 -38.63 89.94 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-N 115.777 -0.647 . . . . 72.35 110.352 175.25 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -64.99 -51.06 63.76 Favored 'General case' 0 C--O 1.234 0.285 0 N-CA-C 109.144 -0.687 . . . . 71.11 109.144 178.277 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 36.4 t80 -58.21 -43.26 87.57 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-N 116.039 -0.528 . . . . 64.45 110.581 177.656 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.471 ' HB2' HG11 ' A' ' 83' ' ' VAL . . . -53.09 -53.15 54.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.114 -0.494 . . . . 52.03 110.888 177.199 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.64 -43.91 97.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.751 -0.659 . . . . 51.43 111.102 179.635 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -65.05 -42.94 96.42 Favored Glycine 0 C--N 1.332 0.309 0 CA-C-N 116.129 -0.487 . . . . 45.35 112.642 -178.448 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.494 ' CE2' HD11 ' A' ' 99' ' ' LEU . 1.9 t80 -69.32 -46.93 65.93 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.962 -0.384 . . . . 71.4 109.962 -179.726 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.5 t -57.19 -47.17 81.92 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.413 -0.588 . . . . 50.31 109.413 179.547 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.567 ' HB2' ' HB2' ' B' ' 19' ' ' ALA . . . -64.75 -40.22 94.94 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-N 115.846 -0.616 . . . . 72.41 110.946 177.936 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 44.5 t -57.04 -37.3 71.58 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 116.073 -0.512 . . . . 74.4 110.115 177.752 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -60.84 -35.1 75.69 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 115.748 -0.66 . . . . 64.12 109.977 179.677 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.421 ' O ' ' HD3' ' A' ' 63' ' ' LYS . 4.4 mm? -75.29 -0.44 19.64 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 115.974 -0.557 . . . . 74.12 111.903 -179.752 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 21.7 t -114.16 -46.08 3.02 Favored 'General case' 0 C--O 1.243 0.72 0 N-CA-C 109.282 -0.636 . . . . 74.4 109.282 175.419 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.453 ' O ' HG23 ' A' ' 65' ' ' VAL . . . -53.24 -45.96 68.95 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 115.505 -0.771 . . . . 64.15 110.204 175.393 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' MET . . . . . 0.479 ' SD ' ' HB1' ' A' ' 118' ' ' ALA . 80.8 mmm -61.32 -32.27 72.13 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.312 -0.404 . . . . 61.32 111.347 178.628 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.421 ' HD3' ' O ' ' A' ' 59' ' ' LEU . 1.4 mptm? -64.67 -51.78 60.75 Favored 'General case' 0 C--O 1.234 0.25 0 N-CA-C 109.82 -0.437 . . . . 62.32 109.82 176.687 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 41.2 t80 -62.44 -41.89 99.07 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 116.293 -0.412 . . . . 70.35 110.384 179.357 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.453 HG23 ' O ' ' A' ' 61' ' ' ALA . 55.8 t -58.39 -47.43 87.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 51.41 110.422 177.222 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -61.14 -29.27 69.68 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.094 0.474 . . . . 55.45 110.129 178.92 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -70.93 -34.43 65.4 Favored Glycine 0 N--CA 1.45 -0.373 0 CA-C-N 115.356 -0.838 . . . . 65.01 112.33 -179.162 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -91.56 -20.54 21.57 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 121.408 0.623 . . . . 73.33 109.629 -178.026 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 10.2 m-80 -90.72 1.42 56.87 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 114.939 -1.028 . . . . 73.35 110.275 178.32 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.0 mptp? 53.63 40.62 31.68 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 115.596 -0.729 . . . . 70.5 110.866 175.749 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -129.81 169.12 15.56 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 114.878 -1.055 . . . . 65.11 110.367 178.879 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 14.7 p -126.13 134.09 51.43 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.202 -0.454 . . . . 71.13 110.225 177.024 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.405 ' HA ' ' HD3' ' A' ' 74' ' ' PRO . 0.2 OUTLIER -109.48 142.0 24.77 Favored Pre-proline 0 N--CA 1.465 0.305 0 CA-C-N 116.714 -0.221 . . . . 63.13 110.971 178.225 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 73' ' ' LEU . 54.3 Cg_exo -54.59 139.21 75.97 Favored 'Trans proline' 0 C--N 1.351 0.673 0 C-N-CA 123.194 2.596 . . . . 75.32 112.876 -179.548 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -77.35 -6.16 52.27 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 121.221 0.534 . . . . 74.43 111.167 179.386 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -88.51 4.14 47.75 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.626 -0.715 . . . . 72.44 111.22 -177.352 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.402 HG22 ' O ' ' A' ' 74' ' ' PRO . 10.3 t -76.53 154.24 34.74 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.841 -0.618 . . . . 73.42 111.576 -176.676 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 53.6 m -149.09 150.12 32.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.635 -0.711 . . . . 65.01 110.145 -179.573 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 72.8 t -130.1 130.96 66.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 N-CA-C 108.943 -0.762 . . . . 73.54 108.943 177.743 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.53 ' HA ' ' HA ' ' B' ' 10' ' ' THR . 11.8 m -114.85 115.77 27.5 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.754 0.312 . . . . 61.0 111.023 -178.122 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -93.34 105.73 17.77 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 116.03 -0.532 . . . . 75.0 110.626 177.654 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.491 ' HG2' ' HD3' ' B' ' 6' ' ' LYS . 36.9 tt0 -101.86 108.7 20.26 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.485 -0.561 . . . . 74.0 109.485 178.271 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.471 HG11 ' HB2' ' A' ' 51' ' ' ALA . 19.2 m -112.4 146.75 16.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.97 0.414 . . . . 74.25 111.335 -173.601 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.422 ' HA2' ' HA ' ' B' ' 6' ' ' LYS . . . -143.41 167.15 26.62 Favored Glycine 0 N--CA 1.445 -0.72 0 CA-C-N 115.813 -0.631 . . . . 64.22 112.088 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.519 HD11 ' CD2' ' A' ' 93' ' ' PHE . 0.0 OUTLIER -138.2 132.85 43.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 N-CA-C 109.111 -0.7 . . . . 71.32 109.111 -177.952 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -141.68 169.98 24.98 Favored Glycine 0 CA--C 1.516 0.123 0 O-C-N 124.079 0.862 . . . . 64.2 110.955 179.602 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.706 ' HD3' ' HG ' ' B' ' 4' ' ' LEU . 60.0 Cg_endo -80.82 134.31 9.56 Favored 'Trans proline' 0 N--CA 1.455 -0.747 0 C-N-CA 122.174 1.916 . . . . 75.13 112.169 -177.457 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' ASN . . . . . 0.45 ' HB2' ' HB2' ' A' ' 94' ' ' ALA . 51.4 t30 -86.08 150.61 24.32 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.586 -0.734 . . . . 63.43 110.014 -179.884 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -62.31 -19.87 63.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.113 -0.494 . . . . 74.31 111.548 -177.917 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -67.28 -23.2 65.65 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 116.174 -0.467 . . . . 62.35 111.044 177.251 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 103.99 35.06 3.54 Favored Glycine 0 N--CA 1.455 -0.095 0 N-CA-C 111.272 -0.731 . . . . 52.42 111.272 -175.335 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -144.27 -144.35 4.18 Favored Glycine 0 N--CA 1.45 -0.397 0 N-CA-C 111.17 -0.772 . . . . 74.12 111.17 -179.756 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.519 ' CD2' HD11 ' A' ' 85' ' ' ILE . 42.1 m-85 -109.79 160.99 15.87 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 117.116 0.458 . . . . 72.25 110.772 179.465 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.45 ' HB2' ' HB2' ' A' ' 88' ' ' ASN . . . -145.06 138.01 26.4 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.264 -0.88 . . . . 73.43 108.929 177.539 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -103.71 140.95 36.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.14 0.495 . . . . 75.45 111.406 -176.609 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.423 ' HB3' HD11 ' B' ' 3' ' ' ILE . 15.3 t70 -130.26 126.09 36.43 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 114.806 -1.088 . . . . 62.1 108.763 -179.484 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.793 HG13 HG22 ' A' ' 134' ' ' VAL . 0.7 OUTLIER -132.54 119.29 38.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-O 121.621 0.724 . . . . 41.42 111.499 -178.883 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.446 ' CD ' HH21 ' A' ' 135' ' ' ARG . 29.9 tt0 -108.89 130.46 55.43 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.491 -0.777 . . . . 51.52 110.128 -179.536 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.494 HD11 ' CE2' ' A' ' 54' ' ' TYR . 94.9 mt -114.19 117.47 31.29 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.421 -0.354 . . . . 73.33 110.794 -176.125 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.547 ' HA ' ' O ' ' A' ' 137' ' ' VAL . 35.7 ttt180 -99.53 117.53 34.13 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.303 -0.628 . . . . 73.43 109.303 177.216 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 46.8 t -105.71 98.37 6.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 N-CA-C 110.284 -0.265 . . . . 72.23 110.284 -174.623 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -92.0 101.52 14.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.902 0.382 . . . . 73.1 110.798 -178.104 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 6.1 mt -111.64 117.5 48.7 Favored Pre-proline 0 C--N 1.326 -0.428 0 CA-C-N 115.928 -0.578 . . . . 73.31 109.662 176.226 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 68.0 Cg_endo -73.84 150.04 43.54 Favored 'Trans proline' 0 N--CA 1.462 -0.36 0 C-N-CA 122.764 2.309 . . . . 73.52 112.702 -177.159 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 68.97 15.16 69.05 Favored Glycine 0 CA--C 1.522 0.485 0 CA-C-N 115.391 -0.822 . . . . 54.45 112.955 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.472 HD21 ' HA ' ' A' ' 111' ' ' ALA . 40.1 tp -116.47 143.15 45.94 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-O 120.823 0.344 . . . . 65.03 111.222 -174.074 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -77.57 163.48 26.23 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 116.057 -0.519 . . . . 72.42 110.448 176.907 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.5 ' O ' ' HG3' ' A' ' 112' ' ' LYS . . . -68.29 -44.75 74.81 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.65 -0.705 . . . . 74.35 109.834 169.812 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -59.87 -48.13 82.95 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 115.562 -0.744 . . . . 64.13 110.939 -177.203 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 0.554 ' O ' HG22 ' A' ' 113' ' ' THR . . . -70.74 -42.57 70.32 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.897 -0.592 . . . . 73.25 110.114 178.702 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 111' ' ' ALA . . . . . 0.472 ' HA ' HD21 ' A' ' 106' ' ' LEU . . . -54.46 -39.87 67.88 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.157 -0.474 . . . . 54.13 111.613 179.761 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 112' ' ' LYS . . . . . 0.5 ' HG3' ' O ' ' A' ' 108' ' ' ALA . 68.5 mttm -53.33 -42.78 67.09 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 116.699 -0.228 . . . . 74.23 111.345 -179.849 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 113' ' ' THR . . . . . 0.554 HG22 ' O ' ' A' ' 110' ' ' ALA . 2.8 t -81.13 -38.63 26.89 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 120.923 0.392 . . . . 74.22 110.659 -177.6 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.414 ' HG ' ' O ' ' A' ' 110' ' ' ALA . 49.0 mt -64.58 -43.74 92.88 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.301 -0.409 . . . . 61.01 110.756 -177.904 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 92.1 t -66.84 -32.64 58.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.123 -0.49 . . . . 72.22 110.225 177.415 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 116' ' ' ASP . . . . . 0.416 ' O ' ' HB2' ' A' ' 120' ' ' HIS . 21.2 t70 -62.33 -61.5 2.41 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 116.395 -0.366 . . . . 63.5 110.11 178.233 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 14.6 ptm180 -59.14 -42.02 89.69 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-N 115.748 -0.66 . . . . 65.24 110.983 -178.034 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 118' ' ' ALA . . . . . 0.479 ' HB1' ' SD ' ' A' ' 62' ' ' MET . . . -60.4 -46.64 89.27 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 121.307 0.575 . . . . 63.41 110.425 177.49 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 119' ' ' HIS . . . . . 0.482 ' HE1' ' HB3' ' A' ' 129' ' ' ARG . 48.4 t-80 -85.13 9.87 13.74 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 115.706 -0.679 . . . . 74.13 110.414 -179.034 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 120' ' ' HIS . . . . . 0.416 ' HB2' ' O ' ' A' ' 116' ' ' ASP . 27.1 t-80 -108.63 -36.12 6.26 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 116.119 -0.491 . . . . 75.14 110.439 178.28 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 33.3 m -82.2 -34.84 12.61 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.397 0 N-CA-C 112.23 0.455 . . . . 74.54 112.23 -176.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 76.6 m -69.13 131.27 90.7 Favored Pre-proline 0 CA--C 1.536 0.416 0 CA-C-N 116.799 -0.182 . . . . 72.12 111.055 -176.855 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 13.0 Cg_endo -55.19 -51.33 10.4 Favored 'Trans proline' 0 C--N 1.355 0.901 0 C-N-CA 123.065 2.51 . . . . 74.45 112.37 -177.469 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 22.7 m-85 -54.03 -43.53 70.23 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 121.181 0.515 . . . . 65.44 109.722 178.008 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 125' ' ' SER . . . . . 0.514 ' O ' HG22 ' A' ' 128' ' ' THR . 70.3 m -59.24 -40.76 86.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.213 -0.903 . . . . 62.44 112.183 -174.398 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 93.6 m-20 -72.25 -48.65 41.06 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.299 0.571 . . . . 73.42 110.094 179.266 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 127' ' ' ALA . . . . . 0.411 ' O ' ' HB3' ' A' ' 131' ' ' ASN . . . -70.16 -1.74 11.03 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.689 -0.687 . . . . 54.1 111.927 -179.154 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 128' ' ' THR . . . . . 0.578 HG23 HG21 ' A' ' 134' ' ' VAL . 2.6 t -112.99 -21.01 11.32 Favored 'General case' 0 N--CA 1.452 -0.33 0 N-CA-C 109.978 -0.378 . . . . 73.21 109.978 -178.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 129' ' ' ARG . . . . . 0.482 ' HB3' ' HE1' ' A' ' 119' ' ' HIS . 17.7 ptt180 -101.64 -47.7 4.55 Favored 'General case' 0 CA--C 1.517 -0.315 0 N-CA-C 109.183 -0.673 . . . . 72.04 109.183 -176.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 130' ' ' ASN . . . . . 0.408 ' N ' ' HG3' ' A' ' 129' ' ' ARG . 15.8 m120 -78.61 -36.57 43.99 Favored 'General case' 0 N--CA 1.446 -0.669 0 CA-C-N 115.284 -0.871 . . . . 71.52 110.192 -177.888 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 131' ' ' ASN . . . . . 0.411 ' HB3' ' O ' ' A' ' 127' ' ' ALA . 65.2 t30 -96.84 -22.91 16.64 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 115.878 -0.601 . . . . 72.12 111.718 -175.733 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 132' ' ' VAL . . . . . 0.629 HG12 ' H ' ' A' ' 133' ' ' ALA . 11.5 t -132.77 175.2 11.93 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.646 0 N-CA-C 109.938 -0.393 . . . . 70.22 109.938 -174.057 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 133' ' ' ALA . . . . . 0.629 ' H ' HG12 ' A' ' 132' ' ' VAL . . . -99.17 95.85 7.37 Favored 'General case' 0 C--O 1.243 0.756 0 CA-C-O 121.572 0.701 . . . . 45.42 112.202 -175.925 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 134' ' ' VAL . . . . . 0.793 HG22 HG13 ' A' ' 97' ' ' VAL . 95.1 t -116.35 129.35 72.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 114.888 -1.051 . . . . 75.02 111.025 176.117 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 135' ' ' ARG . . . . . 0.446 HH21 ' CD ' ' A' ' 98' ' ' GLU . 1.9 tmm_? -105.55 123.38 47.81 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 108.668 -0.864 . . . . 72.41 108.668 175.591 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.447 HD23 ' HB2' ' A' ' 99' ' ' LEU . 39.0 mt -94.57 133.82 37.79 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.265 0.555 . . . . 50.04 111.211 -177.282 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 137' ' ' VAL . . . . . 0.547 ' O ' ' HA ' ' A' ' 100' ' ' ARG . 0.1 OUTLIER -133.46 115.23 22.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.326 -0.852 . . . . 74.42 109.242 175.291 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 2.5 m -88.38 138.71 18.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 N-CA-C 109.834 -0.432 . . . . 53.11 109.834 -177.907 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.321 -0.673 0 CA-C-N 116.264 -0.425 . . . . 73.13 110.885 -176.124 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 1' ' ' MET . . . . . 0.456 ' HE3' HD13 ' B' ' 3' ' ' ILE . 15.9 ptt? . . . . . 0 C--O 1.234 0.262 0 CA-C-O 120.927 0.394 . . . . 72.42 111.0 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 41.8 t30 -72.94 76.0 1.18 Allowed 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 115.889 -0.596 . . . . 61.35 110.604 176.145 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 3' ' ' ILE . . . . . 0.543 HG21 ' HB2' ' B' ' 6' ' ' LYS . 33.9 mm -73.42 132.7 33.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.901 -0.59 . . . . 72.42 111.82 175.753 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.706 ' HG ' ' HD3' ' A' ' 87' ' ' PRO . 87.6 mt -91.39 -44.27 9.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.465 -0.789 . . . . 75.25 110.039 174.768 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 5' ' ' TYR . . . . . . . . . . . . . 35.0 t80 -136.05 129.52 32.08 Favored 'General case' 0 C--O 1.224 -0.282 0 CA-C-N 116.026 -0.534 . . . . 75.45 110.24 -178.662 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 6' ' ' LYS . . . . . 0.543 ' HB2' HG21 ' B' ' 3' ' ' ILE . 30.4 ttmt -137.52 141.23 41.45 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.087 0.47 . . . . 65.01 111.148 177.676 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 10.1 t -137.64 170.55 15.88 Favored 'General case' 0 C--O 1.237 0.439 0 CA-C-N 115.453 -0.794 . . . . 72.52 109.279 177.441 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -133.46 145.5 50.29 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.155 0.502 . . . . 64.22 111.178 -176.054 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 9' ' ' ALA . . . . . 0.432 ' HA ' ' H ' ' B' ' 22' ' ' HIS . . . -141.37 118.29 11.16 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.771 -0.65 . . . . 31.45 109.481 176.225 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 10' ' ' THR . . . . . 0.53 ' HA ' ' HA ' ' A' ' 80' ' ' THR . 12.5 t -101.13 156.21 17.55 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.32 -0.4 . . . . 64.31 110.083 -175.42 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 58.9 p -137.74 113.43 9.63 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.774 0.321 . . . . 74.14 110.819 -177.923 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 4.9 m -102.84 160.54 14.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.043 -0.526 . . . . 53.42 110.607 -177.874 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -77.64 72.8 2.15 Favored Glycine 0 CA--C 1.521 0.436 0 C-N-CA 120.976 -0.631 . . . . 71.12 111.917 173.83 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -57.52 -92.74 0.01 OUTLIER Glycine 0 C--N 1.34 0.771 0 C-N-CA 121.74 -0.267 . . . . 73.4 112.642 179.595 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 12.3 tpt180 -88.62 -55.56 3.66 Favored 'General case' 0 N--CA 1.462 0.15 0 N-CA-C 108.28 -1.007 . . . . 65.14 108.28 172.635 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 16' ' ' ASP . . . . . 0.401 ' O ' ' NZ ' ' A' ' 63' ' ' LYS . 24.1 t0 -126.2 -41.95 1.88 Allowed 'General case' 0 C--O 1.236 0.349 0 CA-C-N 114.639 -1.164 . . . . 65.33 108.23 167.383 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -150.79 151.38 23.39 Favored Glycine 0 N--CA 1.446 -0.648 0 CA-C-N 115.623 -0.717 . . . . 74.22 111.769 171.642 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 18' ' ' ARG . . . . . 0.51 ' HG3' ' O ' ' B' ' 28' ' ' VAL . 16.3 ttp180 -134.5 145.72 49.05 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 108.71 -0.848 . . . . 74.4 108.71 175.029 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 19' ' ' ALA . . . . . 0.567 ' HB2' ' HB2' ' A' ' 56' ' ' ALA . . . -127.65 123.62 36.01 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 108.808 -0.812 . . . . 64.21 108.808 177.367 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 23.8 m -137.52 113.01 9.4 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 116.274 -0.421 . . . . 75.11 110.649 -172.706 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 21' ' ' SER . . . . . 0.525 ' HB3' ' N ' ' B' ' 26' ' ' LEU . 43.7 t -69.82 111.38 5.52 Favored 'General case' 0 C--O 1.246 0.9 0 N-CA-C 107.458 -1.312 . . . . 74.21 107.458 175.007 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 22' ' ' HIS . . . . . 0.432 ' H ' ' HA ' ' B' ' 9' ' ' ALA . 10.4 t-80 -48.34 -37.45 16.66 Favored 'General case' 0 N--CA 1.469 0.515 0 O-C-N 126.106 2.129 . . . . 73.12 113.178 -165.204 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 23' ' ' ASP . . . . . 0.406 ' HB3' ' HE2' ' B' ' 25' ' ' LYS . 1.4 m-20 -80.66 26.08 0.41 Allowed 'General case' 0 C--N 1.317 -0.833 0 CA-C-O 120.94 0.4 . . . . 63.54 110.895 -175.456 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 24' ' ' GLN . . . . . 0.408 ' H ' ' C ' ' B' ' 22' ' ' HIS . 28.0 mm-40 68.4 15.72 9.23 Favored 'General case' 0 CA--C 1.518 -0.279 0 CA-C-N 115.455 -0.793 . . . . 71.43 110.512 176.59 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 25' ' ' LYS . . . . . 0.406 ' HE2' ' HB3' ' B' ' 23' ' ' ASP . 72.5 mmtt -74.92 -34.35 62.11 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 115.67 -0.695 . . . . 41.25 109.837 -179.809 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 26' ' ' LEU . . . . . 0.525 ' N ' ' HB3' ' B' ' 21' ' ' SER . 50.7 tp -148.68 147.67 29.17 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 120.312 -0.555 . . . . 71.52 111.784 -176.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -156.66 101.19 1.98 Allowed 'General case' 0 N--CA 1.464 0.27 0 O-C-N 123.803 0.69 . . . . 53.33 109.589 174.25 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 28' ' ' VAL . . . . . 0.51 ' O ' ' HG3' ' B' ' 18' ' ' ARG . 3.3 m -139.29 177.94 4.26 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.448 0 CA-C-N 116.011 -0.54 . . . . 74.12 110.767 179.501 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 29' ' ' LYS . . . . . 0.505 ' HA ' ' HA ' ' B' ' 18' ' ' ARG . 16.8 ttmt -140.02 144.47 36.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.006 0.432 . . . . 64.31 111.221 -174.733 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 30' ' ' LEU . . . . . 0.621 ' N ' HD13 ' B' ' 30' ' ' LEU . 0.0 OUTLIER -134.08 175.25 9.65 Favored 'General case' 0 C--O 1.249 1.038 0 CA-C-N 115.485 -0.78 . . . . 72.32 110.701 176.107 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 41.0 p -170.91 144.39 2.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.714 -0.676 . . . . 62.35 110.433 -176.553 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -74.65 114.09 30.73 Favored Pre-proline 0 C--O 1.24 0.585 0 O-C-N 123.46 0.475 . . . . 75.13 111.488 -179.486 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 33' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -59.83 144.26 99.48 Favored 'Trans proline' 0 C--N 1.354 0.829 0 C-N-CA 122.588 2.192 . . . . 71.3 110.737 174.362 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 34' ' ' ARG . . . . . 0.594 ' HB2' ' N ' ' B' ' 40' ' ' GLY . 36.1 ttt85 -84.82 3.74 36.35 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.818 -0.353 . . . . 71.43 111.846 -171.641 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -53.72 -24.75 15.8 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-O 120.791 0.329 . . . . 72.42 111.774 177.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 72.6 mt -113.94 23.1 13.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.411 -0.359 . . . . 63.52 111.023 -177.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 81.65 31.77 32.18 Favored Glycine 0 C--N 1.332 0.323 0 C-N-CA 120.98 -0.628 . . . . 51.22 111.616 -176.317 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 38' ' ' GLY . . . . . 0.498 ' H ' ' HA ' ' B' ' 34' ' ' ARG . . . -86.8 -131.54 3.13 Favored Glycine 0 CA--C 1.519 0.307 0 CA-C-N 115.208 -0.496 . . . . 64.12 112.631 -177.595 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -105.67 -39.53 6.05 Favored 'General case' 0 N--CA 1.462 0.159 0 N-CA-C 112.084 0.402 . . . . 71.25 112.084 -173.376 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 40' ' ' GLY . . . . . 0.594 ' N ' ' HB2' ' B' ' 34' ' ' ARG . . . 102.35 31.59 5.21 Favored Glycine 0 C--N 1.328 0.136 0 C-N-CA 120.694 -0.765 . . . . 53.13 113.689 177.626 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -96.24 175.69 6.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.799 0.333 . . . . 45.11 110.708 177.634 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -109.34 9.54 25.69 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-O 121.049 0.452 . . . . 74.14 111.153 -173.593 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -71.78 -156.2 2.53 Favored Glycine 0 CA--C 1.522 0.518 0 CA-C-N 115.168 -0.924 . . . . 72.12 113.506 -177.687 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 44' ' ' THR . . . . . 0.597 ' H ' ' HA ' ' B' ' 30' ' ' LEU . 22.8 m -106.56 156.93 18.07 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 122.52 0.328 . . . . 35.03 110.95 -173.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 45' ' ' ASN . . . . . 0.521 ' HB2' ' HB2' ' B' ' 48' ' ' GLN . 40.4 m-80 -86.38 144.33 37.91 Favored Pre-proline 0 CA--C 1.534 0.359 0 N-CA-C 109.814 -0.439 . . . . 71.14 109.814 176.376 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 46' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' B' ' 45' ' ' ASN . 26.7 Cg_exo -63.29 -49.72 4.37 Favored 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 122.677 2.251 . . . . 54.41 112.272 179.616 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -63.88 -32.12 73.54 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 121.709 0.766 . . . . 73.03 109.681 -178.075 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 48' ' ' GLN . . . . . 0.521 ' HB2' ' HB2' ' B' ' 45' ' ' ASN . 64.9 tt0 -62.74 -42.5 99.7 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 114.25 -1.341 . . . . 65.22 110.213 177.746 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -68.7 -48.64 63.36 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 115.709 -0.678 . . . . 73.15 109.904 179.793 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -56.3 -46.7 79.67 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 116.303 -0.408 . . . . 74.53 110.723 178.642 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 51' ' ' ALA . . . . . 0.533 ' HB1' ' HB1' ' B' ' 81' ' ' ALA . . . -63.66 -52.23 61.61 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.284 -0.416 . . . . 63.22 111.597 -178.791 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.93 -54.16 48.14 Favored 'General case' 0 C--O 1.239 0.511 0 CA-C-O 121.222 0.534 . . . . 74.31 110.528 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -59.55 -50.61 65.91 Favored Glycine 0 N--CA 1.449 -0.482 0 CA-C-N 115.433 -0.803 . . . . 73.22 112.351 -179.538 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 6.2 t80 -59.73 -48.43 81.72 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.505 0.152 . . . . 73.14 110.939 -178.108 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 77.3 p -57.55 -51.59 68.85 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 109.895 -0.409 . . . . 71.55 109.895 -179.277 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.06 -43.26 91.71 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-O 121.072 0.463 . . . . 72.32 111.21 178.524 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 57' ' ' CYS . . . . . . . . . . . . . 97.3 m -64.75 -36.03 82.98 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.818 -0.628 . . . . 72.4 110.9 -178.051 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 30.3 t80 -60.92 -23.21 65.08 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 116.453 -0.34 . . . . 52.32 110.768 -174.361 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 59' ' ' LEU . . . . . 0.457 ' O ' ' HG3' ' B' ' 63' ' ' LYS . 8.7 mp -65.82 -45.81 80.9 Favored 'General case' 0 N--CA 1.463 0.202 0 N-CA-C 109.743 -0.466 . . . . 64.41 109.743 175.298 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 60' ' ' SER . . . . . 0.546 ' HA ' ' HD3' ' B' ' 63' ' ' LYS . 35.6 t -59.89 -43.54 94.72 Favored 'General case' 0 C--O 1.239 0.538 0 CA-C-O 121.332 0.587 . . . . 73.23 109.5 176.025 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 61' ' ' ALA . . . . . 0.426 ' O ' HG23 ' B' ' 65' ' ' VAL . . . -57.92 -41.54 82.91 Favored 'General case' 0 N--CA 1.457 -0.101 0 CA-C-N 115.484 -0.78 . . . . 44.1 110.123 176.408 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 62' ' ' MET . . . . . 0.482 ' SD ' ' HB1' ' B' ' 118' ' ' ALA . 81.9 mmm -67.75 -31.84 72.03 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-N 116.107 -0.497 . . . . 71.0 110.968 178.364 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 63' ' ' LYS . . . . . 0.546 ' HD3' ' HA ' ' B' ' 60' ' ' SER . 62.0 mtpt -65.96 -41.17 91.57 Favored 'General case' 0 C--O 1.234 0.242 0 N-CA-C 109.803 -0.443 . . . . 72.03 109.803 177.393 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 61.1 t80 -68.93 -46.83 67.23 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 116.227 -0.442 . . . . 73.11 110.276 175.915 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 65' ' ' VAL . . . . . 0.426 HG23 ' O ' ' B' ' 61' ' ' ALA . 42.0 t -54.86 -48.55 74.05 Favored 'Isoleucine or valine' 0 C--O 1.233 0.205 0 CA-C-N 116.193 -0.458 . . . . 75.05 110.54 178.38 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -58.53 -32.16 68.6 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.939 -0.573 . . . . 74.13 110.214 178.889 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -67.33 -31.57 77.4 Favored Glycine 0 N--CA 1.449 -0.473 0 CA-C-N 115.34 -0.845 . . . . 75.04 112.214 -178.5 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 68' ' ' GLN . . . . . 0.41 ' HG3' HD22 ' B' ' 69' ' ' ASN . 13.2 pt20 -98.99 -13.04 20.07 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 121.382 0.61 . . . . 64.5 109.827 -179.555 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 69' ' ' ASN . . . . . 0.41 HD22 ' HG3' ' B' ' 68' ' ' GLN . 1.0 OUTLIER -92.82 1.48 57.26 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.353 -0.84 . . . . 65.21 110.508 176.524 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 63.34 29.55 15.68 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 115.503 -0.771 . . . . 73.12 111.297 175.102 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -127.12 166.06 18.37 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.969 -0.56 . . . . 74.24 110.657 179.565 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 11.1 p -124.93 134.62 52.58 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.308 -0.405 . . . . 74.12 110.715 179.451 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 73' ' ' LEU . . . . . 0.482 HD22 HD21 ' B' ' 103' ' ' LEU . 95.2 mt -109.59 144.26 29.5 Favored Pre-proline 0 C--N 1.33 -0.242 0 CA-C-N 116.33 -0.395 . . . . 75.15 110.894 -179.466 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 74' ' ' PRO . . . . . 0.566 ' HD2' HD11 ' B' ' 103' ' ' LEU . 23.5 Cg_exo -66.07 144.09 74.45 Favored 'Trans proline' 0 C--N 1.35 0.649 0 C-N-CA 123.053 2.502 . . . . 62.01 112.909 179.849 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -76.74 -22.08 54.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.603 0.716 . . . . 71.53 111.009 178.732 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -80.72 22.84 0.56 Allowed 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.161 -0.927 . . . . 60.22 111.493 -172.5 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 77' ' ' THR . . . . . 0.524 ' HA ' ' HD3' ' B' ' 104' ' ' PRO . 9.9 t -87.94 162.09 17.08 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-N 115.997 -0.547 . . . . 73.25 112.118 -175.296 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 1.2 p -150.92 152.37 33.52 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 115.238 -0.892 . . . . 71.23 110.697 -177.846 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 79' ' ' VAL . . . . . 0.428 ' CG2' HD11 ' B' ' 59' ' ' LEU . 59.8 t -136.78 157.86 36.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 N-CA-C 108.781 -0.822 . . . . 54.24 108.781 178.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 85.6 m -135.73 122.04 20.46 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 122.021 -0.424 . . . . 72.42 110.64 174.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 81' ' ' ALA . . . . . 0.533 ' HB1' ' HB1' ' B' ' 51' ' ' ALA . . . -104.05 111.08 23.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.681 -0.691 . . . . 73.43 109.894 178.249 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 82' ' ' GLU . . . . . 0.404 ' HG3' ' HB2' ' A' ' 8' ' ' ALA . 27.7 tt0 -113.99 110.85 20.7 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.647 -0.501 . . . . 71.23 109.647 -177.883 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 83' ' ' VAL . . . . . 0.416 ' O ' ' HG3' ' A' ' 6' ' ' LYS . 93.6 t -103.32 136.61 35.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.198 -0.455 . . . . 71.44 111.24 -174.089 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 84' ' ' GLY . . . . . . . . . . . . . . . -136.32 162.65 25.11 Favored Glycine 0 N--CA 1.441 -0.981 0 N-CA-C 111.522 -0.631 . . . . 52.45 111.522 177.808 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -145.23 134.84 18.3 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.827 0 N-CA-C 109.155 -0.683 . . . . 73.1 109.155 178.695 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 86' ' ' GLY . . . . . 0.41 ' HA2' ' HG ' ' A' ' 4' ' ' LEU . . . -147.4 170.02 28.26 Favored Glycine 0 C--O 1.23 -0.128 0 N-CA-C 111.078 -0.809 . . . . 52.3 111.078 -179.477 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 87' ' ' PRO . . . . . 0.675 ' HD3' ' HG ' ' A' ' 4' ' ' LEU . 23.6 Cg_exo -61.93 129.99 29.42 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.379 2.053 . . . . 61.3 111.714 -177.724 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 88' ' ' ASN . . . . . 0.477 ' HB2' ' C ' ' B' ' 93' ' ' PHE . 47.9 t-20 -81.96 147.45 29.23 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.786 -0.643 . . . . 72.3 109.936 -178.798 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -61.34 -23.47 65.77 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.181 0.515 . . . . 65.22 110.162 177.404 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -67.07 -22.78 65.83 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 115.208 -0.906 . . . . 74.05 110.889 175.913 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.29 10.11 34.71 Favored Glycine 0 CA--C 1.52 0.36 0 CA-C-N 115.971 -0.559 . . . . 72.2 112.238 -175.544 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . -117.11 -126.55 3.8 Favored Glycine 0 CA--C 1.52 0.351 0 N-CA-C 111.545 -0.622 . . . . 70.13 111.545 177.262 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 93' ' ' PHE . . . . . 0.477 ' C ' ' HB2' ' B' ' 88' ' ' ASN . 18.4 m-85 -123.04 148.36 45.66 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.024 0.44 . . . . 73.12 110.617 179.148 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -128.59 127.73 42.85 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.714 -0.676 . . . . 62.21 109.361 179.767 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -96.28 143.02 27.73 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.044 0.45 . . . . 74.21 110.989 -177.202 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 96' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -128.6 110.3 12.12 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 114.958 -1.019 . . . . 73.53 109.264 -178.837 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 97' ' ' VAL . . . . . . . . . . . . . 51.7 t -114.23 110.73 33.16 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.041 0 CA-C-O 120.732 0.301 . . . . 65.34 110.245 -178.279 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -101.35 111.55 23.8 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.377 -0.374 . . . . 74.42 110.256 -177.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 88.9 mt -103.86 107.1 17.83 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-N 116.238 -0.437 . . . . 61.12 110.205 179.277 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 100' ' ' ARG . . . . . 0.511 ' HA ' HG13 ' B' ' 137' ' ' VAL . 53.2 ttt180 -99.42 119.8 38.57 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.015 -0.539 . . . . 64.11 109.933 -179.122 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 101' ' ' VAL . . . . . . . . . . . . . 93.7 t -103.68 106.41 20.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.351 -0.386 . . . . 60.12 111.322 -174.695 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -104.1 101.19 10.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.902 0.382 . . . . 53.32 110.264 176.55 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 103' ' ' LEU . . . . . 0.851 HD23 HD22 ' B' ' 106' ' ' LEU . 32.0 tp -110.84 122.66 37.5 Favored Pre-proline 0 C--N 1.329 -0.309 0 N-CA-C 108.783 -0.821 . . . . 72.24 108.783 178.823 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 104' ' ' PRO . . . . . 0.535 ' HD2' HD12 ' B' ' 103' ' ' LEU . 70.7 Cg_endo -73.01 150.96 49.52 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.224 1.949 . . . . 74.24 112.348 -176.389 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 105' ' ' GLY . . . . . . . . . . . . . . . 66.72 14.78 63.37 Favored Glycine 0 CA--C 1.521 0.423 0 CA-C-N 115.539 -0.755 . . . . 72.34 112.886 -179.014 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 106' ' ' LEU . . . . . 0.851 HD22 HD23 ' B' ' 103' ' ' LEU . 26.6 tp -113.79 136.91 52.34 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-O 121.209 0.528 . . . . 60.53 111.133 -177.201 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -75.48 148.23 39.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.231 -0.895 . . . . 63.12 110.176 175.478 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 108' ' ' ALA . . . . . 0.405 ' O ' ' HG3' ' B' ' 112' ' ' LYS . . . -66.11 -41.52 90.46 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.878 0.371 . . . . 34.32 110.891 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -59.38 -46.82 87.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.027 -0.533 . . . . 64.51 110.295 178.727 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 110' ' ' ALA . . . . . 0.576 ' O ' HG22 ' B' ' 113' ' ' THR . . . -67.78 -39.91 84.04 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.692 -0.686 . . . . 72.03 110.24 178.126 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 111' ' ' ALA . . . . . 0.476 ' HA ' HD21 ' B' ' 106' ' ' LEU . . . -55.07 -43.94 74.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.851 -0.613 . . . . 64.14 110.829 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 112' ' ' LYS . . . . . 0.405 ' HG3' ' O ' ' B' ' 108' ' ' ALA . 53.9 mtpt -53.35 -42.31 66.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.687 -0.688 . . . . 74.45 111.663 178.732 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 113' ' ' THR . . . . . 0.576 HG22 ' O ' ' B' ' 110' ' ' ALA . 1.3 t -79.69 -35.22 39.44 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-O 120.709 0.29 . . . . 72.03 110.663 -176.326 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 114' ' ' LEU . . . . . 0.513 ' HG ' ' O ' ' B' ' 110' ' ' ALA . 51.4 mt -66.08 -49.18 68.51 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-O 120.935 0.398 . . . . 70.23 110.201 -179.257 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 115' ' ' VAL . . . . . 0.576 HG21 HG12 ' B' ' 138' ' ' VAL . 73.5 t -58.75 -40.38 79.49 Favored 'Isoleucine or valine' 0 C--O 1.239 0.534 0 CA-C-N 115.806 -0.634 . . . . 63.55 110.25 176.477 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -58.93 -61.44 2.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.405 -0.816 . . . . 75.43 111.053 -178.733 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 117' ' ' ARG . . . . . 0.434 ' HG2' ' O ' ' B' ' 113' ' ' THR . 15.9 ptm180 -61.38 -44.12 97.7 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 115.869 -0.605 . . . . 70.2 110.984 -177.141 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 118' ' ' ALA . . . . . 0.482 ' HB1' ' SD ' ' B' ' 62' ' ' MET . . . -58.6 -49.76 76.31 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-O 120.978 0.418 . . . . 61.11 111.363 -177.932 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 119' ' ' HIS . . . . . 0.476 ' CE1' HG13 ' B' ' 115' ' ' VAL . 65.6 m80 -74.83 -5.2 42.23 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.218 -0.446 . . . . 74.31 111.934 -175.933 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 13.6 t-80 -103.77 -34.73 8.46 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-O 120.61 0.243 . . . . 61.52 110.699 179.676 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 32.9 m -81.5 -30.33 10.85 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.26 0 CA-C-O 120.952 0.406 . . . . 63.42 110.416 178.08 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 122' ' ' CYS . . . . . . . . . . . . . 53.0 t -123.26 77.57 52.82 Favored Pre-proline 0 C--N 1.331 -0.234 0 N-CA-C 109.615 -0.513 . . . . 74.53 109.615 176.043 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 123' ' ' PRO . . . . . . . . . . . . . 87.2 Cg_endo -101.26 107.56 0.04 OUTLIER 'Trans proline' 0 N--CA 1.45 -1.046 0 C-N-CA 123.392 2.728 . . . . 65.25 113.198 -177.565 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 124' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.282 0 N-CA-C 108.938 -0.764 . . . . 65.35 108.938 170.792 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 128' ' ' THR . . . . . 0.409 ' O ' ' HB ' ' B' ' 132' ' ' VAL . 0.6 OUTLIER . . . . . 0 CA--C 1.534 0.338 0 CA-C-O 120.754 0.311 . . . . 55.14 110.608 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 129' ' ' ARG . . . . . . . . . . . . . 10.6 ptp180 -125.57 -40.51 2.08 Favored 'General case' 0 N--CA 1.463 0.193 0 N-CA-C 111.741 0.274 . . . . 75.21 111.741 -176.151 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 130' ' ' ASN . . . . . . . . . . . . . 55.7 m-80 -78.67 -36.84 43.14 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 121.145 0.498 . . . . 74.14 109.71 174.502 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 131' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -81.95 -43.84 17.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.679 -0.691 . . . . 75.43 110.832 -179.474 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 132' ' ' VAL . . . . . 0.409 ' HB ' ' O ' ' B' ' 128' ' ' THR . 21.6 t -98.07 155.67 3.72 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.301 0 CA-C-N 116.082 -0.508 . . . . 52.13 110.49 -177.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 133' ' ' ALA . . . . . . . . . . . . . . . -79.68 103.1 9.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.308 0.575 . . . . 72.23 111.279 -177.481 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 134' ' ' VAL . . . . . . . . . . . . . 46.8 t -123.73 110.46 25.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.483 -0.78 . . . . 61.1 110.039 177.202 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 82.1 mtt180 -76.62 114.43 15.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.97 -0.559 . . . . 74.32 110.407 -179.231 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 33.7 mt -91.46 109.1 20.39 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.335 -0.617 . . . . 72.41 109.335 170.893 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 137' ' ' VAL . . . . . 0.511 HG13 ' HA ' ' B' ' 100' ' ' ARG . 0.2 OUTLIER -125.95 128.88 72.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.731 -0.668 . . . . 72.22 110.441 -175.216 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 138' ' ' VAL . . . . . 0.576 HG12 HG21 ' B' ' 115' ' ' VAL . 3.1 m -98.71 138.35 23.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 115.937 -0.574 . . . . 70.52 110.076 -179.292 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 139' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.045 0 CA-C-N 115.704 -0.68 . . . . 71.35 110.511 -176.631 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.519 ' SD ' ' HB2' ' B' ' 96' ' ' ASP . 25.7 ptm . . . . . 0 N--CA 1.487 1.42 0 CA-C-O 121.03 0.443 . . . . 71.43 110.791 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 2' ' ' ASN . . . . . 0.429 ' O ' ' HA3' ' B' ' 86' ' ' GLY . 49.7 t30 -91.11 84.15 5.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.807 -0.633 . . . . 75.52 109.631 -178.868 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.544 HG21 ' HB2' ' A' ' 6' ' ' LYS . 27.0 mm -76.67 131.49 34.75 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-N 115.838 -0.619 . . . . 51.02 112.367 -178.429 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.666 ' HG ' ' HD3' ' B' ' 87' ' ' PRO . 81.7 mt -90.93 -44.06 9.6 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-N 115.216 -0.902 . . . . 74.21 109.723 172.307 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 23.6 t80 -136.04 129.63 32.27 Favored 'General case' 0 C--O 1.221 -0.403 0 CA-C-N 115.582 -0.735 . . . . 54.43 109.911 -177.537 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.544 ' HB2' HG21 ' A' ' 3' ' ' ILE . 28.1 ttmt -142.28 132.65 24.99 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.026 0.441 . . . . 62.42 110.125 174.698 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 12.3 t -134.53 149.8 50.7 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.389 -0.823 . . . . 73.02 109.865 -178.309 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.471 ' HA ' ' HA ' ' B' ' 82' ' ' GLU . . . -112.57 151.3 30.21 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-O 121.128 0.49 . . . . 64.34 111.685 -174.02 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.483 ' HA ' ' H ' ' A' ' 22' ' ' HIS . . . -143.66 126.88 16.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.847 -0.615 . . . . 65.14 110.08 176.287 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.493 HG23 ' HB ' ' A' ' 20' ' ' THR . 4.8 t -99.41 137.06 38.45 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.465 -0.334 . . . . 73.43 110.114 178.68 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 58.7 p -126.06 113.52 17.2 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.122 0.487 . . . . 71.32 110.495 179.138 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 4.9 m -106.4 161.91 14.16 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.169 -0.469 . . . . 72.12 110.746 -178.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -79.52 72.93 2.46 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 121.017 -0.611 . . . . 62.44 111.727 174.463 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -60.08 -101.78 0.01 OUTLIER Glycine 0 C--N 1.338 0.667 0 C-N-CA 121.455 -0.402 . . . . 62.02 112.368 178.258 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.419 ' HG2' ' HB2' ' A' ' 41' ' ' ALA . 10.3 tpt180 -82.72 -54.6 5.01 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 108.985 -0.746 . . . . 73.04 108.985 174.504 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.524 ' HB3' ' HA ' ' A' ' 31' ' ' SER . 22.0 t70 -125.62 -41.8 1.98 Allowed 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 107.764 -1.199 . . . . 74.22 107.764 169.176 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -154.56 159.33 28.86 Favored Glycine 0 N--CA 1.445 -0.733 0 CA-C-N 115.273 -0.876 . . . . 73.12 110.912 170.38 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.611 ' HA ' ' HA ' ' A' ' 29' ' ' LYS . 56.4 ttp180 -137.6 147.69 45.24 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 109.346 -0.612 . . . . 73.24 109.346 176.799 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.449 ' HB2' ' HB2' ' B' ' 56' ' ' ALA . . . -130.44 123.55 30.03 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.855 -0.424 . . . . 71.12 109.855 177.104 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.493 ' HB ' HG23 ' A' ' 10' ' ' THR . 27.9 m -133.27 111.01 10.49 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.69 -0.686 . . . . 63.53 110.039 -179.221 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.479 ' HB3' ' N ' ' A' ' 26' ' ' LEU . 44.8 t -68.47 108.73 3.39 Favored 'General case' 0 C--O 1.246 0.875 0 N-CA-C 107.49 -1.3 . . . . 62.3 107.49 177.53 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.483 ' H ' ' HA ' ' A' ' 9' ' ' ALA . 31.8 t60 -56.16 -23.52 35.44 Favored 'General case' 0 N--CA 1.47 0.528 0 O-C-N 125.783 1.927 . . . . 71.44 112.563 -165.19 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.434 ' CB ' ' HE3' ' A' ' 25' ' ' LYS . 4.2 m-20 -80.3 19.46 0.76 Allowed 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 109.708 -0.479 . . . . 73.43 109.708 179.578 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.44 ' H ' ' C ' ' A' ' 22' ' ' HIS . 29.7 mm-40 69.87 16.59 7.72 Favored 'General case' 0 CA--C 1.519 -0.229 0 CA-C-N 115.192 -0.913 . . . . 72.53 110.03 176.66 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.434 ' HE3' ' CB ' ' A' ' 23' ' ' ASP . 95.1 mttt -78.62 -35.33 45.71 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-N 115.113 -0.949 . . . . 73.44 111.003 -178.646 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.479 ' N ' ' HB3' ' A' ' 21' ' ' SER . 56.0 tp -145.69 147.85 32.4 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 120.141 -0.624 . . . . 74.42 111.634 -175.541 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -156.96 94.89 1.47 Allowed 'General case' 0 N--CA 1.463 0.219 0 O-C-N 123.558 0.536 . . . . 74.13 110.413 177.026 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.4 ' O ' ' HG3' ' A' ' 18' ' ' ARG . 4.3 m -145.01 177.3 1.78 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.422 0 CA-C-N 116.264 -0.425 . . . . 62.12 110.685 177.181 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.611 ' HA ' ' HA ' ' A' ' 18' ' ' ARG . 0.0 OUTLIER -131.42 147.32 52.55 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.249 -0.432 . . . . 62.42 110.733 -176.904 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.69 ' HA ' ' H ' ' A' ' 44' ' ' THR . 0.0 OUTLIER -130.32 165.78 21.78 Favored 'General case' 0 C--O 1.244 0.773 0 CA-C-N 116.205 -0.452 . . . . 64.12 110.802 178.8 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.524 ' HA ' ' HB3' ' A' ' 16' ' ' ASP . 47.2 m -161.09 177.44 10.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.874 -0.603 . . . . 75.34 110.278 -175.304 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.456 ' O ' ' HA3' ' A' ' 38' ' ' GLY . . . -88.79 149.05 42.96 Favored Pre-proline 0 C--N 1.326 -0.454 0 CA-C-N 115.885 -0.598 . . . . 52.21 110.139 179.857 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.519 ' HG3' ' ND2' ' A' ' 45' ' ' ASN . 31.3 Cg_exo -61.35 125.12 16.12 Favored 'Trans proline' 0 C--O 1.234 0.306 0 C-N-CA 122.584 2.189 . . . . 73.33 112.38 -179.316 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.433 ' HG2' ' HA2' ' A' ' 40' ' ' GLY . 0.5 OUTLIER -52.2 -27.75 15.8 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 120.847 0.356 . . . . 50.12 110.834 173.586 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 17.3 mp0 -56.78 -34.76 67.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.567 -0.742 . . . . 75.14 110.569 176.657 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 72.4 mt -107.53 14.97 25.27 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.846 -0.615 . . . . 63.44 110.809 -176.616 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.32 36.44 8.83 Favored Glycine 0 CA--C 1.519 0.309 0 C-N-CA 121.06 -0.59 . . . . 72.22 112.576 179.796 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.456 ' HA3' ' O ' ' A' ' 32' ' ' ALA . . . -66.7 -7.63 42.61 Favored Glycine 0 C--N 1.334 0.451 0 C-N-CA 121.559 -0.353 . . . . 73.44 113.559 -179.823 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . 77.07 -0.65 2.92 Favored 'General case' 0 N--CA 1.448 -0.572 0 C-N-CA 123.737 0.815 . . . . 63.22 111.352 172.367 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.433 ' HA2' ' HG2' ' A' ' 34' ' ' ARG . . . 102.76 102.23 2.67 Favored Glycine 0 N--CA 1.433 -1.5 0 CA-C-N 115.107 -0.951 . . . . 45.53 113.787 163.795 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.419 ' HB2' ' HG2' ' A' ' 15' ' ' ARG . . . -164.55 146.14 8.28 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.85 -0.426 . . . . 44.21 109.85 173.411 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -101.24 35.82 2.15 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.867 -0.606 . . . . 71.23 110.517 -177.626 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -82.64 -123.9 0.82 Allowed Glycine 0 CA--C 1.521 0.428 0 CA-C-N 115.703 -0.68 . . . . 55.55 112.559 -179.372 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.69 ' H ' ' HA ' ' A' ' 30' ' ' LEU . 92.5 m -140.87 151.31 44.19 Favored 'General case' 0 N--CA 1.45 -0.46 0 N-CA-C 109.964 -0.384 . . . . 74.01 109.964 -178.566 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.519 ' ND2' ' HG3' ' A' ' 33' ' ' PRO . 1.1 m-20 -84.73 139.5 37.74 Favored Pre-proline 0 CA--C 1.534 0.332 0 N-CA-C 110.044 -0.354 . . . . 72.33 110.044 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.586 ' HB3' ' SG ' ' B' ' 57' ' ' CYS . 38.4 Cg_exo -58.86 -59.75 0.43 Allowed 'Trans proline' 0 CA--C 1.536 0.596 0 C-N-CA 123.204 2.603 . . . . 63.04 113.176 -177.044 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.513 ' CD ' ' H ' ' A' ' 47' ' ' GLU . 2.8 mp0 -56.16 -39.7 72.71 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-O 121.733 0.778 . . . . 62.13 109.48 -179.052 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.478 HE21 HG23 ' A' ' 44' ' ' THR . 25.5 tt0 -61.76 -41.11 97.27 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 114.426 -1.261 . . . . 72.35 110.813 178.91 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.508 HD12 ' HA3' ' B' ' 53' ' ' GLY . 2.5 tm? -65.27 -49.35 69.88 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 115.74 -0.664 . . . . 71.11 109.701 -178.702 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 61.2 t80 -60.61 -44.2 96.58 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 116.346 -0.388 . . . . 64.45 110.369 177.69 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.508 ' HB2' HG11 ' A' ' 83' ' ' VAL . . . -54.08 -53.01 58.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 52.03 111.436 177.855 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.39 -45.59 93.0 Favored 'General case' 0 C--O 1.236 0.342 0 CA-C-N 116.083 -0.508 . . . . 51.43 110.613 -179.514 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.553 ' HA3' HD12 ' B' ' 49' ' ' LEU . . . -65.13 -37.4 94.08 Favored Glycine 0 N--CA 1.449 -0.463 0 CA-C-N 115.784 -0.644 . . . . 45.35 112.46 -179.812 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.425 ' HE1' ' SG ' ' A' ' 122' ' ' CYS . 4.7 t80 -75.24 -37.78 60.87 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 122.25 0.22 . . . . 71.4 110.739 -177.446 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.494 ' HB3' ' HB2' ' A' ' 81' ' ' ALA . 17.0 p -66.3 -44.02 84.67 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.012 0.434 . . . . 50.31 109.845 177.273 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.523 ' HB1' HD21 ' B' ' 30' ' ' LEU . . . -64.24 -40.2 95.54 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 115.857 -0.61 . . . . 72.41 110.301 175.283 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.751 ' SG ' ' HB3' ' B' ' 46' ' ' PRO . 44.0 t -62.7 -36.65 83.64 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.606 -0.724 . . . . 74.4 110.274 176.625 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -64.0 -40.7 96.95 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.988 -0.551 . . . . 64.12 109.623 -178.908 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 85.6 mt -65.01 -43.34 92.81 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.569 -0.742 . . . . 74.12 110.285 176.542 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 34.7 m -62.24 -44.67 96.02 Favored 'General case' 0 C--O 1.239 0.544 0 CA-C-N 115.841 -0.618 . . . . 74.4 110.198 178.214 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.428 ' O ' HG23 ' A' ' 65' ' ' VAL . . . -60.76 -47.2 87.37 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-N 115.315 -0.857 . . . . 64.15 110.05 178.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 85.2 mmm -62.23 -34.61 76.83 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.253 -0.43 . . . . 61.32 110.954 178.701 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 8.3 ttpm? -65.42 -43.41 90.64 Favored 'General case' 0 C--O 1.233 0.214 0 N-CA-C 109.969 -0.382 . . . . 62.32 109.969 178.559 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 77.4 t80 -67.04 -49.09 66.3 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 116.18 -0.464 . . . . 70.35 110.602 177.332 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.428 HG23 ' O ' ' A' ' 61' ' ' ALA . 53.4 t -55.65 -48.34 77.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.041 -0.527 . . . . 51.41 110.892 -179.431 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -56.39 -31.2 63.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.092 0.473 . . . . 55.45 110.488 178.364 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -71.51 -31.71 65.32 Favored Glycine 0 CA--C 1.518 0.243 0 CA-C-N 115.424 -0.807 . . . . 65.01 112.448 -178.344 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -96.2 -12.89 23.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.424 0.631 . . . . 73.33 109.365 179.705 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.427 ' HB3' ' HG2' ' A' ' 71' ' ' GLN . 4.9 m-20 -90.47 -5.2 56.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.143 -0.935 . . . . 73.35 110.274 175.88 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 58.33 26.55 14.15 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 115.724 -0.671 . . . . 70.5 110.904 178.155 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.427 ' HG2' ' HB3' ' A' ' 69' ' ' ASN . 0.3 OUTLIER -117.38 161.36 19.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.772 -0.649 . . . . 65.11 109.978 179.296 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 3.4 p -115.83 139.28 50.34 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.909 0.385 . . . . 71.13 110.982 -179.661 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.412 ' HA ' ' HD3' ' A' ' 74' ' ' PRO . 94.0 mt -109.4 137.86 20.38 Favored Pre-proline 0 C--N 1.326 -0.415 0 CA-C-N 115.957 -0.565 . . . . 63.13 109.575 178.152 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.646 ' HB2' ' HG2' ' A' ' 104' ' ' PRO . 32.2 Cg_exo -59.78 138.81 85.19 Favored 'Trans proline' 0 C--N 1.349 0.569 0 C-N-CA 122.722 2.281 . . . . 75.32 112.44 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -77.16 2.18 16.12 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.205 0.446 . . . . 74.43 112.205 -176.685 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.431 ' HB3' ' HG3' ' A' ' 104' ' ' PRO . 27.8 t70 -95.06 1.51 55.07 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.371 0.605 . . . . 72.44 110.707 -178.844 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.403 HG22 ' O ' ' A' ' 74' ' ' PRO . 9.6 t -72.36 152.72 41.89 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.722 -0.672 . . . . 73.42 111.685 -175.431 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 29.5 m -154.2 150.67 28.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.792 -0.64 . . . . 65.01 110.049 -178.564 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 79.2 t -129.49 121.33 52.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 N-CA-C 110.008 -0.367 . . . . 73.54 110.008 177.273 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 21.0 m -102.74 111.07 23.22 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.096 -0.502 . . . . 61.0 110.316 179.207 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.494 ' HB2' ' HB3' ' A' ' 55' ' ' SER . . . -93.69 106.49 18.46 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.052 -0.522 . . . . 75.0 109.975 178.078 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.43 ' HA ' ' HA ' ' B' ' 8' ' ' ALA . 34.8 tt0 -110.15 108.59 18.8 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.491 -0.559 . . . . 74.0 109.491 -178.823 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.508 HG11 ' HB2' ' A' ' 51' ' ' ALA . 21.8 m -108.9 144.96 16.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.978 0.418 . . . . 74.25 111.049 -173.725 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.456 ' HA2' ' HA ' ' B' ' 6' ' ' LYS . . . -142.3 165.93 26.55 Favored Glycine 0 N--CA 1.446 -0.689 0 CA-C-N 115.722 -0.672 . . . . 64.22 111.868 -179.346 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -145.45 131.65 14.21 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 N-CA-C 109.773 -0.454 . . . . 71.32 109.773 -178.384 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' GLY . . . . . 0.411 ' HA2' ' HG ' ' B' ' 4' ' ' LEU . . . -148.47 169.9 29.02 Favored Glycine 0 N--CA 1.453 -0.193 0 CA-C-N 115.251 -0.886 . . . . 64.2 111.422 177.329 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.711 ' HD3' ' HG ' ' B' ' 4' ' ' LEU . 2.8 Cg_endo -79.29 123.01 5.37 Favored 'Trans proline' 0 N--CA 1.458 -0.577 0 C-N-CA 122.89 2.393 . . . . 75.13 111.75 -179.3 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' ASN . . . . . 0.493 ' HB2' ' HB2' ' A' ' 94' ' ' ALA . 47.7 t30 -70.95 149.24 46.89 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.126 -0.488 . . . . 63.43 110.092 177.26 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -62.05 -19.01 62.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.294 -0.412 . . . . 74.31 111.357 -177.19 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -67.19 -21.8 65.77 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.041 -0.527 . . . . 62.35 111.135 178.05 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.24 35.17 3.45 Favored Glycine 0 C--N 1.328 0.109 0 N-CA-C 111.49 -0.644 . . . . 52.42 111.49 -176.254 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -144.41 -154.66 6.2 Favored Glycine 0 N--CA 1.451 -0.343 0 N-CA-C 111.082 -0.807 . . . . 74.12 111.082 179.457 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 37.4 m-85 -100.38 166.25 11.05 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 117.097 0.448 . . . . 72.25 110.485 178.19 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.493 ' HB2' ' HB2' ' A' ' 88' ' ' ASN . . . -152.22 126.26 9.14 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.755 -0.657 . . . . 73.43 109.462 175.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -99.91 122.46 42.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.739 -0.664 . . . . 75.45 110.307 -178.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -110.09 112.02 23.75 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.344 -0.844 . . . . 62.1 109.686 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.436 ' HB ' HG22 ' A' ' 134' ' ' VAL . 60.1 t -111.46 110.83 33.63 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.795 0 CA-C-N 116.133 -0.485 . . . . 41.42 110.363 -178.769 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -101.15 109.28 21.13 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.594 -0.521 . . . . 51.52 109.594 179.767 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 74.8 mt -100.41 112.57 24.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.489 -0.323 . . . . 73.33 110.429 -177.861 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.545 ' HA ' ' O ' ' A' ' 137' ' ' VAL . 98.1 mtt180 -99.27 113.76 26.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.486 . . . . 73.43 109.992 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 44.1 t -107.36 97.8 6.13 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-N 116.304 -0.407 . . . . 72.23 110.316 -175.482 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -91.83 101.35 13.93 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.843 0.354 . . . . 73.1 110.1 179.722 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.766 HD23 HD22 ' A' ' 106' ' ' LEU . 25.8 tp -115.07 107.32 50.11 Favored Pre-proline 0 C--N 1.328 -0.364 0 N-CA-C 108.567 -0.901 . . . . 73.31 108.567 177.304 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' PRO . . . . . 0.646 ' HG2' ' HB2' ' A' ' 74' ' ' PRO . 55.7 Cg_endo -70.73 148.97 59.96 Favored 'Trans proline' 0 C--O 1.233 0.265 0 C-N-CA 122.881 2.387 . . . . 73.52 112.788 -171.667 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 77.57 4.19 84.34 Favored Glycine 0 CA--C 1.518 0.277 0 CA-C-N 115.463 -0.79 . . . . 54.45 112.245 -179.074 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.766 HD22 HD23 ' A' ' 103' ' ' LEU . 18.2 tp -113.96 141.34 47.52 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 122.784 0.434 . . . . 65.03 111.045 -175.81 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -78.29 143.38 37.04 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 115.808 -0.633 . . . . 72.42 110.62 176.786 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -58.88 -37.77 77.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.322 -0.399 . . . . 74.35 111.021 178.406 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -57.28 -47.68 80.84 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 115.958 -0.565 . . . . 64.13 111.32 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 0.544 ' O ' HG22 ' A' ' 113' ' ' THR . . . -75.94 -37.21 58.93 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-O 121.299 0.571 . . . . 73.25 110.172 179.243 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 111' ' ' ALA . . . . . 0.421 ' HA ' HD21 ' A' ' 106' ' ' LEU . . . -55.5 -39.62 70.68 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.439 -0.801 . . . . 54.13 110.717 179.768 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 57.0 mmtt -54.73 -42.25 71.35 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.99 -0.55 . . . . 74.23 111.35 177.379 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 113' ' ' THR . . . . . 0.544 HG22 ' O ' ' A' ' 110' ' ' ALA . 0.8 OUTLIER -77.21 -34.89 56.01 Favored 'General case' 0 CA--C 1.529 0.17 0 CA-C-O 120.711 0.291 . . . . 74.22 110.527 -177.695 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 56.2 mt -65.77 -49.8 67.05 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-O 120.878 0.371 . . . . 61.01 110.52 179.751 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.456 HG21 HG12 ' A' ' 138' ' ' VAL . 57.4 t -65.46 -33.12 61.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.142 -0.481 . . . . 72.22 110.352 178.481 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -60.68 -61.05 2.87 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.885 -0.598 . . . . 63.5 110.031 178.72 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 6.4 ptm180 -61.15 -39.12 88.89 Favored 'General case' 0 CA--C 1.527 0.092 0 CA-C-N 115.953 -0.567 . . . . 65.24 110.488 -177.708 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -60.22 -52.62 64.54 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-O 120.899 0.38 . . . . 63.41 111.1 179.556 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 82.8 t60 -73.03 -14.1 61.35 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-O 120.965 0.412 . . . . 74.13 110.406 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 19.7 t60 -84.63 -31.42 24.24 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 115.855 -0.611 . . . . 75.14 110.689 178.331 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 32.8 m -96.5 -4.97 9.98 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.385 0 CA-C-N 116.711 -0.222 . . . . 74.54 111.303 -179.645 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 122' ' ' CYS . . . . . 0.425 ' SG ' ' HE1' ' A' ' 54' ' ' TYR . 50.9 t -65.12 114.74 16.31 Favored Pre-proline 0 CA--C 1.533 0.325 0 CA-C-N 116.273 -0.421 . . . . 72.12 110.094 178.461 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_endo -85.95 24.13 0.78 Allowed 'Trans proline' 0 C--N 1.35 0.634 0 C-N-CA 123.101 2.534 . . . . 74.45 113.938 -171.621 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 124' ' ' TYR . . . . . 0.536 ' O ' ' HB2' ' A' ' 125' ' ' SER . 7.4 m-85 -69.08 -35.58 76.66 Favored 'General case' 0 N--CA 1.464 0.245 0 C-N-CA 120.932 -0.307 . . . . 65.44 110.278 175.135 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 125' ' ' SER . . . . . 0.536 ' HB2' ' O ' ' A' ' 124' ' ' TYR . 22.6 t 166.37 148.96 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.15 0 O-C-N 124.129 0.893 . . . . 62.44 109.41 175.49 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 126' ' ' ASN . . . . . 0.571 ' O ' ' HG2' ' A' ' 129' ' ' ARG . 96.4 m-20 -63.83 -31.35 72.49 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 108.473 -0.936 . . . . 73.42 108.473 170.009 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 127' ' ' ALA . . . . . 0.459 ' O ' HG23 ' A' ' 132' ' ' VAL . . . -61.59 -3.1 0.92 Allowed 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.038 -0.983 . . . . 54.1 112.209 179.594 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 128' ' ' THR . . . . . 0.454 HG22 ' O ' ' A' ' 125' ' ' SER . 4.3 t -87.39 -7.56 57.59 Favored 'General case' 0 CA--C 1.519 -0.237 0 N-CA-C 108.212 -1.032 . . . . 73.21 108.212 -174.08 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 129' ' ' ARG . . . . . 0.571 ' HG2' ' O ' ' A' ' 126' ' ' ASN . 8.6 ptp85 -132.98 -46.66 0.85 Allowed 'General case' 0 N--CA 1.438 -1.044 0 CA-C-N 114.498 -1.228 . . . . 72.04 111.074 -177.511 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 6.5 m120 -78.97 -35.7 42.65 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-O 120.817 0.341 . . . . 71.52 111.751 -176.02 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -99.01 -38.18 9.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 72.12 110.79 -173.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 132' ' ' VAL . . . . . 0.459 HG23 ' O ' ' A' ' 127' ' ' ALA . 95.6 t -100.12 134.17 40.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.79 0.329 . . . . 70.22 110.34 -174.759 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -77.0 94.71 4.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.226 0.536 . . . . 45.42 110.446 -179.581 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 134' ' ' VAL . . . . . 0.436 HG22 ' HB ' ' A' ' 97' ' ' VAL . 52.8 t -111.74 109.61 29.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.623 -0.717 . . . . 75.02 110.35 178.191 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 17.2 mtm180 -83.66 111.57 19.25 Favored 'General case' 0 C--O 1.236 0.391 0 N-CA-C 109.529 -0.545 . . . . 72.41 109.529 178.413 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 70.3 mt -87.86 102.57 14.82 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-O 121.575 0.702 . . . . 50.04 111.318 -177.66 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 137' ' ' VAL . . . . . 0.545 ' O ' ' HA ' ' A' ' 100' ' ' ARG . 0.2 OUTLIER -105.97 115.33 47.44 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-N 114.803 -1.09 . . . . 74.42 109.705 179.168 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 138' ' ' VAL . . . . . 0.456 HG12 HG21 ' A' ' 115' ' ' VAL . 5.7 m -94.21 138.84 19.64 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 CA-C-N 115.798 -0.637 . . . . 53.11 109.874 -178.416 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.312 -1.056 0 CA-C-N 115.331 -0.85 . . . . 73.13 110.862 -175.057 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 27.8 ptm . . . . . 0 C--O 1.236 0.361 0 CA-C-O 120.974 0.416 . . . . 72.42 110.924 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 36.3 t30 -99.26 83.82 2.91 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.734 -0.666 . . . . 61.35 109.797 179.525 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 3' ' ' ILE . . . . . 0.522 HG21 ' HB2' ' B' ' 6' ' ' LYS . 25.8 mm -71.5 125.39 29.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-O 121.241 0.543 . . . . 72.42 111.516 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.711 ' HG ' ' HD3' ' A' ' 87' ' ' PRO . 87.1 mt -83.17 -45.43 13.92 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.317 -0.856 . . . . 75.25 109.534 174.43 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 5' ' ' TYR . . . . . . . . . . . . . 45.2 t80 -141.23 129.84 22.74 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.006 -0.543 . . . . 75.45 110.752 -179.351 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 6' ' ' LYS . . . . . 0.522 ' HB2' HG21 ' B' ' 3' ' ' ILE . 30.8 ttmt -138.04 136.94 37.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.283 -0.417 . . . . 65.01 110.349 175.611 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 10.3 t -133.63 162.39 32.05 Favored 'General case' 0 C--O 1.239 0.505 0 CA-C-N 115.798 -0.637 . . . . 72.52 109.922 178.451 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 8' ' ' ALA . . . . . 0.43 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . . . -124.19 148.44 47.26 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 121.454 0.645 . . . . 64.22 111.784 -173.617 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 9' ' ' ALA . . . . . 0.632 ' HA ' ' H ' ' B' ' 22' ' ' HIS . . . -133.89 136.0 44.03 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.565 -0.743 . . . . 31.45 109.689 175.79 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 31.9 m -117.68 108.54 15.54 Favored 'General case' 0 N--CA 1.443 -0.819 0 N-CA-C 109.118 -0.697 . . . . 64.31 109.118 -174.809 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 70.8 m -112.58 117.35 32.07 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 115.963 -0.562 . . . . 74.14 110.528 -176.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 2.9 m -98.92 156.5 16.86 Favored 'General case' 0 C--O 1.242 0.682 0 CA-C-N 115.904 -0.589 . . . . 53.42 111.349 -175.82 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -73.75 72.77 1.26 Allowed Glycine 0 N--CA 1.446 -0.691 0 CA-C-N 115.728 -0.669 . . . . 71.12 111.714 174.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -63.67 -175.68 3.63 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 121.308 -0.472 . . . . 73.4 112.345 176.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -49.77 -38.87 35.86 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 120.879 0.371 . . . . 65.14 110.449 -177.859 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -125.7 -43.32 1.87 Allowed 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 108.348 -0.982 . . . . 65.33 108.348 171.261 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -169.71 161.84 35.22 Favored Glycine 0 C--N 1.341 0.824 0 N-CA-C 111.034 -0.827 . . . . 74.22 111.034 160.033 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 18' ' ' ARG . . . . . 0.477 ' HD3' ' O ' ' B' ' 28' ' ' VAL . 15.2 tpp85 -137.75 130.2 29.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 117.391 0.595 . . . . 74.4 110.203 176.862 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 19' ' ' ALA . . . . . 0.465 ' HB2' ' HB2' ' A' ' 56' ' ' ALA . . . -127.63 129.96 48.14 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.21 0.529 . . . . 64.21 110.274 177.253 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 85.4 m -139.24 110.06 6.74 Favored 'General case' 0 C--N 1.317 -0.813 0 N-CA-C 109.575 -0.528 . . . . 75.11 109.575 176.861 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 21' ' ' SER . . . . . 0.498 ' HB3' ' N ' ' B' ' 26' ' ' LEU . 32.5 t -65.88 108.64 2.22 Favored 'General case' 0 C--O 1.248 1.002 0 N-CA-C 107.158 -1.423 . . . . 74.21 107.158 178.005 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 22' ' ' HIS . . . . . 0.632 ' H ' ' HA ' ' B' ' 9' ' ' ALA . 4.9 t-80 -48.44 -38.16 19.05 Favored 'General case' 0 N--CA 1.468 0.451 0 O-C-N 125.98 2.05 . . . . 73.12 113.202 -163.864 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -79.97 25.82 0.36 Allowed 'General case' 0 C--N 1.315 -0.924 0 CA-C-O 121.02 0.438 . . . . 63.54 110.903 -174.259 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 24' ' ' GLN . . . . . 0.407 ' H ' ' C ' ' B' ' 22' ' ' HIS . 31.6 mm-40 67.83 26.98 7.51 Favored 'General case' 0 C--N 1.342 0.264 0 CA-C-N 115.299 -0.864 . . . . 71.43 110.028 175.921 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 25' ' ' LYS . . . . . 0.531 ' HE2' ' HA ' ' B' ' 25' ' ' LYS . 12.0 mmpt? -87.76 -32.15 19.26 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-N 115.069 -0.968 . . . . 41.25 110.409 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 26' ' ' LEU . . . . . 0.498 ' N ' ' HB3' ' B' ' 21' ' ' SER . 39.7 tp -152.68 149.55 28.53 Favored 'General case' 0 CA--C 1.509 -0.604 0 C-N-CA 120.549 -0.46 . . . . 71.52 111.164 -178.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -157.59 90.75 1.11 Allowed 'General case' 0 N--CA 1.448 -0.555 0 CA-C-O 121.388 0.613 . . . . 53.33 111.067 -178.037 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 28' ' ' VAL . . . . . 0.477 ' O ' ' HD3' ' B' ' 18' ' ' ARG . 3.1 m -146.4 157.99 11.25 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.363 0 CA-C-O 121.737 0.779 . . . . 74.12 112.15 178.239 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 29' ' ' LYS . . . . . 0.461 ' HA ' ' HA ' ' B' ' 18' ' ' ARG . 15.0 tttp -95.5 139.06 32.31 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 114.641 -1.163 . . . . 64.31 108.888 169.224 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 30' ' ' LEU . . . . . 0.633 ' HB2' ' O ' ' B' ' 44' ' ' THR . 0.0 OUTLIER -122.44 172.19 8.52 Favored 'General case' 0 C--O 1.254 1.3 0 CA-C-O 120.941 0.4 . . . . 72.32 110.052 176.799 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 31' ' ' SER . . . . . 0.452 ' OG ' ' HB3' ' B' ' 41' ' ' ALA . 11.8 m -154.01 135.51 14.26 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-N 115.618 -0.719 . . . . 62.35 111.371 -171.287 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 32' ' ' ALA . . . . . 0.716 ' O ' ' HD3' ' B' ' 34' ' ' ARG . . . -58.0 157.58 15.56 Favored Pre-proline 0 C--O 1.224 -0.279 0 N-CA-C 109.276 -0.639 . . . . 75.13 109.276 175.262 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 33' ' ' PRO . . . . . 0.411 ' O ' ' N ' ' B' ' 35' ' ' GLU . 49.0 Cg_exo -58.24 4.93 0.09 OUTLIER 'Trans proline' 0 CA--C 1.543 0.936 0 C-N-CA 123.087 2.524 . . . . 71.3 116.014 -170.174 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 34' ' ' ARG . . . . . 0.716 ' HD3' ' O ' ' B' ' 32' ' ' ALA . 1.3 mpp_? 60.74 -69.25 0.04 OUTLIER 'General case' 0 N--CA 1.475 0.825 0 CA-C-N 118.625 0.648 . . . . 71.43 112.384 -175.931 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 35' ' ' GLU . . . . . 0.411 ' N ' ' O ' ' B' ' 33' ' ' PRO . 11.6 mm-40 -36.73 -37.82 0.15 Allowed 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 124.009 0.924 . . . . 72.42 112.541 179.119 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.463 HD23 HD12 ' B' ' 85' ' ' ILE . 2.8 mp -101.34 -27.94 12.89 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.95 -0.568 . . . . 63.52 111.125 -173.152 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 154.39 56.5 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.659 -0.781 . . . . 51.22 113.097 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 38' ' ' GLY . . . . . 0.467 ' H ' ' HA ' ' B' ' 34' ' ' ARG . . . -104.8 -140.39 10.37 Favored Glycine 0 N--CA 1.438 -1.23 0 N-CA-C 110.022 -1.231 . . . . 64.12 110.022 170.939 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -134.5 -23.89 1.61 Allowed 'General case' 0 C--N 1.311 -1.078 0 N-CA-C 112.029 0.381 . . . . 71.25 112.029 -177.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 40' ' ' GLY . . . . . 0.508 ' HA2' ' HG2' ' B' ' 34' ' ' ARG . . . 113.04 101.12 2.49 Favored Glycine 0 CA--C 1.51 -0.273 0 C-N-CA 120.092 -1.051 . . . . 53.13 111.956 -176.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 41' ' ' ALA . . . . . 0.452 ' HB3' ' OG ' ' B' ' 31' ' ' SER . . . -173.26 171.23 4.1 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-O 120.833 0.349 . . . . 45.11 110.988 -179.006 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -103.81 20.09 18.73 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.884 -0.598 . . . . 74.14 110.135 -178.73 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -77.94 -168.16 31.52 Favored Glycine 0 N--CA 1.451 -0.311 0 CA-C-N 115.207 -0.906 . . . . 72.12 112.699 -179.191 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 44' ' ' THR . . . . . 0.633 ' O ' ' HB2' ' B' ' 30' ' ' LEU . 14.5 p -104.41 140.47 37.87 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 110.161 -0.311 . . . . 35.03 110.161 -177.294 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 45' ' ' ASN . . . . . 0.474 HD22 ' HB2' ' B' ' 48' ' ' GLN . 0.0 OUTLIER -92.13 152.99 43.15 Favored Pre-proline 0 C--N 1.324 -0.524 0 N-CA-C 109.886 -0.413 . . . . 71.14 109.886 178.741 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 46' ' ' PRO . . . . . 0.751 ' HB3' ' SG ' ' A' ' 57' ' ' CYS . 97.0 Cg_exo -45.62 -60.72 0.75 Allowed 'Trans proline' 0 C--N 1.352 0.731 0 C-N-CA 123.757 2.971 . . . . 54.41 114.252 -172.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 47' ' ' GLU . . . . . 0.451 ' HB2' HG21 ' B' ' 83' ' ' VAL . 0.0 OUTLIER -63.95 -31.34 72.49 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.163 -0.472 . . . . 73.03 110.683 -174.475 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 48' ' ' GLN . . . . . 0.474 ' HB2' HD22 ' B' ' 45' ' ' ASN . 30.1 tt0 -65.64 -46.6 78.58 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.629 -0.714 . . . . 65.22 110.482 179.018 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 49' ' ' LEU . . . . . 0.553 HD12 ' HA3' ' A' ' 53' ' ' GLY . 1.6 tm? -66.12 -44.59 83.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.565 -0.743 . . . . 73.15 109.513 -178.442 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 31.3 t80 -63.92 -42.26 97.44 Favored 'General case' 0 C--O 1.223 -0.303 0 CA-C-N 115.904 -0.589 . . . . 74.53 111.247 179.108 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.1 -51.28 70.27 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 120.842 0.353 . . . . 63.22 110.905 178.013 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -58.27 -50.54 73.21 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 115.996 -0.547 . . . . 74.31 110.909 178.745 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 53' ' ' GLY . . . . . 0.508 ' HA3' HD12 ' A' ' 49' ' ' LEU . . . -61.21 -45.61 96.16 Favored Glycine 0 N--CA 1.447 -0.574 0 CA-C-N 115.723 -0.671 . . . . 73.22 112.296 179.775 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 54' ' ' TYR . . . . . 0.474 ' OH ' HG21 ' B' ' 128' ' ' THR . 1.8 t80 -59.81 -47.43 85.75 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 122.464 0.306 . . . . 73.14 110.62 -178.687 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 55' ' ' SER . . . . . 0.648 ' HB3' ' HB2' ' B' ' 81' ' ' ALA . 23.1 p -62.57 -50.31 71.79 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-O 120.753 0.311 . . . . 71.55 110.464 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 56' ' ' ALA . . . . . 0.466 ' HB1' HD21 ' A' ' 30' ' ' LEU . . . -58.96 -39.86 82.96 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 116.098 -0.501 . . . . 72.32 111.182 179.057 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 57' ' ' CYS . . . . . 0.586 ' SG ' ' HB3' ' A' ' 46' ' ' PRO . 74.2 m -70.6 -36.48 73.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.938 -0.574 . . . . 72.4 110.099 178.778 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 59.8 t80 -64.7 -34.24 77.84 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.0 -0.545 . . . . 52.32 110.055 -177.567 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -56.52 -46.13 80.74 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.162 -0.681 . . . . 64.41 109.162 176.495 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 60' ' ' SER . . . . . 0.516 ' HA ' ' HE3' ' B' ' 63' ' ' LYS . 7.6 t -78.29 -33.42 49.48 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 115.923 -0.581 . . . . 73.23 110.63 -178.682 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -64.0 -50.75 67.28 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.287 -0.415 . . . . 44.1 110.365 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 62' ' ' MET . . . . . 0.713 ' HG3' HD11 ' B' ' 73' ' ' LEU . 16.5 tpt -66.26 -27.42 67.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.88 -0.6 . . . . 71.0 109.913 177.504 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 63' ' ' LYS . . . . . 0.516 ' HE3' ' HA ' ' B' ' 60' ' ' SER . 21.3 ttpp -65.85 -35.12 79.77 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 115.87 -0.605 . . . . 72.03 110.186 174.304 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 52.0 t80 -73.5 -40.21 64.25 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 121.002 0.429 . . . . 73.11 109.857 173.159 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 48.0 t -55.9 -43.92 76.23 Favored 'Isoleucine or valine' 0 C--O 1.232 0.154 0 CA-C-N 115.88 -0.6 . . . . 75.05 110.333 177.206 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 66' ' ' ALA . . . . . 0.404 ' HA ' ' HG3' ' B' ' 71' ' ' GLN . . . -55.77 -30.68 61.68 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.844 -0.617 . . . . 74.13 110.518 178.802 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -68.82 -36.64 82.61 Favored Glycine 0 N--CA 1.451 -0.339 0 CA-C-N 115.657 -0.701 . . . . 75.04 112.224 -179.015 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 68' ' ' GLN . . . . . 0.415 ' HG3' HD22 ' B' ' 69' ' ' ASN . 11.0 pt20 -92.25 -16.32 26.31 Favored 'General case' 0 CA--C 1.52 -0.176 0 CA-C-O 121.713 0.768 . . . . 64.5 109.303 -178.84 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 69' ' ' ASN . . . . . 0.415 HD22 ' HG3' ' B' ' 68' ' ' GLN . 0.9 OUTLIER -91.39 -3.16 57.0 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 114.916 -1.038 . . . . 65.21 110.552 178.219 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 61.35 30.19 18.92 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 115.905 -0.589 . . . . 73.12 111.488 176.473 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 71' ' ' GLN . . . . . 0.404 ' HG3' ' HA ' ' B' ' 66' ' ' ALA . 2.3 pt20 -122.81 169.46 11.08 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.792 -0.64 . . . . 74.24 110.234 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 36.8 p -123.5 143.36 50.22 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.254 -0.43 . . . . 74.12 110.155 177.819 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 73' ' ' LEU . . . . . 0.713 HD11 ' HG3' ' B' ' 62' ' ' MET . 96.3 mt -109.27 137.97 20.36 Favored Pre-proline 0 C--N 1.326 -0.431 0 CA-C-N 116.481 -0.327 . . . . 75.15 110.202 179.133 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 74' ' ' PRO . . . . . 0.669 ' HD2' HD11 ' B' ' 103' ' ' LEU . 27.5 Cg_exo -64.14 146.92 91.35 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.879 2.386 . . . . 62.01 112.573 178.651 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -73.55 -16.62 61.26 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.664 0.745 . . . . 71.53 111.202 178.372 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -89.66 15.24 9.9 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 114.813 -1.085 . . . . 60.22 111.302 -170.094 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 77' ' ' THR . . . . . 0.48 ' HB ' HD12 ' B' ' 103' ' ' LEU . 10.2 t -90.51 165.5 13.76 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-O 121.087 0.47 . . . . 73.25 112.139 -174.147 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 15.9 m -155.71 149.29 25.02 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 115.65 -0.705 . . . . 71.23 109.913 178.88 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 69.1 t -125.56 127.05 71.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 N-CA-C 109.383 -0.599 . . . . 54.24 109.383 174.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 5.9 m -108.06 108.24 19.25 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 120.915 0.388 . . . . 72.42 110.364 179.627 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 81' ' ' ALA . . . . . 0.648 ' HB2' ' HB3' ' B' ' 55' ' ' SER . . . -93.32 106.7 18.63 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.937 -0.574 . . . . 73.43 109.593 178.123 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 82' ' ' GLU . . . . . 0.471 ' HA ' ' HA ' ' A' ' 8' ' ' ALA . 30.4 tt0 -109.18 107.58 17.9 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 109.001 -0.741 . . . . 71.23 109.001 178.203 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 83' ' ' VAL . . . . . 0.632 HG23 HG22 ' B' ' 97' ' ' VAL . 9.4 p -103.45 142.72 16.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.921 -0.581 . . . . 71.44 110.654 -173.38 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 84' ' ' GLY . . . . . 0.434 ' HA2' ' HA ' ' A' ' 6' ' ' LYS . . . -137.26 166.8 24.9 Favored Glycine 0 N--CA 1.438 -1.23 0 N-CA-C 111.489 -0.644 . . . . 52.45 111.489 178.687 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 85' ' ' ILE . . . . . 0.463 HD12 HD23 ' B' ' 36' ' ' LEU . 0.0 OUTLIER -147.95 137.98 16.68 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.935 0 N-CA-C 109.338 -0.616 . . . . 73.1 109.338 -179.436 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 86' ' ' GLY . . . . . 0.455 ' HA2' ' HG ' ' A' ' 4' ' ' LEU . . . -151.0 169.84 30.74 Favored Glycine 0 CA--C 1.517 0.208 0 O-C-N 123.899 0.75 . . . . 52.3 111.376 -178.858 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 87' ' ' PRO . . . . . 0.666 ' HD3' ' HG ' ' A' ' 4' ' ' LEU . 1.1 Cg_endo -80.27 126.17 6.11 Favored 'Trans proline' 0 N--CA 1.457 -0.654 0 C-N-CA 122.642 2.228 . . . . 61.3 111.748 -176.535 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 88' ' ' ASN . . . . . 0.402 ' HB2' ' HB2' ' B' ' 94' ' ' ALA . 24.0 t-20 -83.29 144.98 29.35 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.186 -0.672 . . . . 72.3 109.186 173.833 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -62.03 -16.16 49.76 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.486 -0.325 . . . . 65.22 111.837 -175.596 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -67.76 -22.5 65.21 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-O 121.374 0.607 . . . . 74.05 110.775 177.815 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.49 35.49 3.31 Favored Glycine 0 N--CA 1.452 -0.273 0 CA-C-N 115.718 -0.673 . . . . 72.2 112.03 -177.819 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . -143.51 -171.09 13.57 Favored Glycine 0 N--CA 1.45 -0.392 0 N-CA-C 111.026 -0.83 . . . . 70.13 111.026 177.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 93' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -100.86 144.14 30.17 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 117.206 0.503 . . . . 73.12 110.49 177.899 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 94' ' ' ALA . . . . . 0.402 ' HB2' ' HB2' ' B' ' 88' ' ' ASN . . . -126.7 132.09 51.23 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.929 -0.578 . . . . 62.21 109.659 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 95' ' ' LEU . . . . . 0.409 HD13 ' HB ' ' B' ' 85' ' ' ILE . 4.1 mm? -96.81 132.82 42.15 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.165 -0.47 . . . . 74.21 110.692 -177.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 96' ' ' ASP . . . . . 0.519 ' HB2' ' SD ' ' A' ' 1' ' ' MET . 35.4 t70 -121.19 110.05 15.71 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.16 -0.927 . . . . 73.53 109.273 178.35 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 97' ' ' VAL . . . . . 0.692 ' HB ' HG22 ' B' ' 134' ' ' VAL . 45.3 t -108.65 110.53 32.39 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.962 0 C-N-CA 120.688 -0.405 . . . . 65.34 110.895 -176.613 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 98' ' ' GLU . . . . . 0.449 ' HG2' ' HD3' ' B' ' 135' ' ' ARG . 46.3 mt-10 -88.28 102.7 15.1 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.465 -0.568 . . . . 74.42 109.465 175.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 13.5 tp -97.75 106.76 19.11 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.329 -0.619 . . . . 61.12 109.329 -179.09 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 100' ' ' ARG . . . . . 0.625 ' HA ' ' O ' ' B' ' 137' ' ' VAL . 74.3 mtt180 -101.47 117.54 35.15 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.451 -0.795 . . . . 64.11 111.024 -173.205 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 101' ' ' VAL . . . . . . . . . . . . . 88.5 t -102.58 107.56 22.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.886 -0.597 . . . . 60.12 110.867 -176.422 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 102' ' ' ALA . . . . . 0.435 ' HA ' ' HB3' ' B' ' 139' ' ' ALA . . . -103.59 101.52 11.39 Favored 'General case' 0 C--O 1.236 0.343 0 N-CA-C 109.756 -0.461 . . . . 53.32 109.756 176.377 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 103' ' ' LEU . . . . . 0.811 HD23 HD22 ' B' ' 106' ' ' LEU . 27.3 tp -119.34 118.19 32.64 Favored Pre-proline 0 C--N 1.327 -0.39 0 N-CA-C 109.634 -0.506 . . . . 72.24 109.634 -177.664 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 104' ' ' PRO . . . . . 0.523 ' HD2' HD12 ' B' ' 103' ' ' LEU . 60.6 Cg_endo -72.07 151.53 55.81 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.597 2.198 . . . . 74.24 112.043 -177.525 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 105' ' ' GLY . . . . . . . . . . . . . . . 72.11 15.04 76.48 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.863 -0.684 . . . . 72.34 111.971 -178.308 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 106' ' ' LEU . . . . . 0.811 HD22 HD23 ' B' ' 103' ' ' LEU . 34.2 tp -129.92 139.1 51.19 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.081 0.467 . . . . 60.53 111.33 -176.58 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -86.75 147.04 26.02 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.484 -0.78 . . . . 63.12 110.587 175.127 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -59.64 -37.56 79.01 Favored 'General case' 0 C--O 1.237 0.428 0 CA-C-N 116.29 -0.414 . . . . 34.32 111.111 -179.539 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -55.95 -51.68 66.82 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 115.896 -0.593 . . . . 64.51 110.934 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 110' ' ' ALA . . . . . 0.579 ' O ' HG22 ' B' ' 113' ' ' THR . . . -71.46 -35.76 70.96 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 115.949 -0.569 . . . . 72.03 110.477 177.678 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 111' ' ' ALA . . . . . 0.423 ' O ' HG23 ' B' ' 115' ' ' VAL . . . -54.73 -40.05 68.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.977 -0.556 . . . . 64.14 110.664 -179.875 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 112' ' ' LYS . . . . . . . . . . . . . 62.1 mttp -55.32 -39.61 70.18 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.156 -0.475 . . . . 74.45 111.46 178.567 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 113' ' ' THR . . . . . 0.579 HG22 ' O ' ' B' ' 110' ' ' ALA . 1.0 OUTLIER -79.77 -34.04 40.12 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 110.285 -0.265 . . . . 72.03 110.285 -178.67 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 114' ' ' LEU . . . . . 0.481 ' HA ' ' HD3' ' B' ' 117' ' ' ARG . 40.5 mt -65.93 -40.27 91.27 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-O 120.99 0.424 . . . . 70.23 110.494 179.059 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 115' ' ' VAL . . . . . 0.654 HG21 HG12 ' B' ' 138' ' ' VAL . 95.4 t -68.62 -32.64 55.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.868 -0.606 . . . . 63.55 110.416 177.808 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -65.04 -59.78 3.76 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 116.112 -0.495 . . . . 75.43 110.41 177.515 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 117' ' ' ARG . . . . . 0.481 ' HD3' ' HA ' ' B' ' 114' ' ' LEU . 8.8 ptm180 -58.06 -38.8 77.01 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 115.893 -0.594 . . . . 70.2 110.507 -179.275 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -59.71 -45.74 91.2 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.827 -0.624 . . . . 61.11 110.388 174.779 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 49.8 m80 -80.94 13.81 2.52 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 116.009 -0.542 . . . . 74.31 111.686 177.111 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 45.4 t-80 -104.37 -38.72 6.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.812 0.339 . . . . 61.52 110.973 176.861 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 29.5 m -88.03 -42.4 14.94 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.479 0 N-CA-C 112.792 0.664 . . . . 63.42 112.792 -173.736 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 122' ' ' CYS . . . . . . . . . . . . . 58.5 m -82.44 134.95 47.33 Favored Pre-proline 0 CA--C 1.537 0.45 0 O-C-N 122.279 -0.263 . . . . 74.53 111.31 -174.885 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 123' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_exo -53.44 -58.05 1.63 Allowed 'Trans proline' 0 C--N 1.355 0.896 0 C-N-CA 123.257 2.638 . . . . 65.25 113.147 -179.22 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 124' ' ' TYR . . . . . 0.478 ' O ' ' HB ' ' B' ' 128' ' ' THR . 6.7 m-85 . . . . . 0 N--CA 1.471 0.586 0 CA-C-O 120.956 0.408 . . . . 65.35 110.898 -178.481 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 128' ' ' THR . . . . . 0.478 ' HB ' ' O ' ' B' ' 124' ' ' TYR . 1.9 t . . . . . 0 C--O 1.226 -0.181 0 N-CA-C 109.21 -0.663 . . . . 55.14 109.21 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 129' ' ' ARG . . . . . 0.447 ' HG3' ' N ' ' B' ' 130' ' ' ASN . 23.5 ptt180 -106.58 -47.93 3.65 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 115.758 -0.656 . . . . 75.21 109.981 -177.577 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 130' ' ' ASN . . . . . 0.447 ' N ' ' HG3' ' B' ' 129' ' ' ARG . 86.2 m-20 -78.87 -18.93 53.12 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.287 -0.87 . . . . 74.14 111.742 -177.515 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 131' ' ' ASN . . . . . 0.451 HD21 ' HB2' ' A' ' 126' ' ' ASN . 13.7 t-20 -113.92 -38.49 4.2 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.15 -0.477 . . . . 75.43 110.812 -177.939 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 132' ' ' VAL . . . . . 0.51 HG12 ' H ' ' B' ' 133' ' ' ALA . 14.5 t -114.91 170.8 4.86 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.341 0 CA-C-N 115.929 -0.578 . . . . 52.13 109.74 -175.354 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 133' ' ' ALA . . . . . 0.51 ' H ' HG12 ' B' ' 132' ' ' VAL . . . -97.61 88.92 4.48 Favored 'General case' 0 C--O 1.243 0.717 0 CA-C-O 121.828 0.823 . . . . 72.23 111.613 -177.21 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 134' ' ' VAL . . . . . 0.692 HG22 ' HB ' ' B' ' 97' ' ' VAL . 77.7 t -117.56 114.51 45.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 114.979 -1.01 . . . . 61.1 110.871 177.818 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 135' ' ' ARG . . . . . 0.449 ' HD3' ' HG2' ' B' ' 98' ' ' GLU . 74.8 ttt180 -72.49 100.0 2.62 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.136 -0.938 . . . . 74.32 109.163 173.707 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 78.8 mt -76.65 107.24 8.8 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.15 -0.477 . . . . 72.41 109.922 176.904 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 137' ' ' VAL . . . . . 0.625 ' O ' ' HA ' ' B' ' 100' ' ' ARG . 0.2 OUTLIER -122.83 118.24 54.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.455 -0.793 . . . . 72.22 110.343 -174.713 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 138' ' ' VAL . . . . . 0.654 HG12 HG21 ' B' ' 115' ' ' VAL . 3.1 m -99.62 138.54 23.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 115.533 -0.758 . . . . 70.52 110.747 -176.398 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 139' ' ' ALA . . . . . 0.435 ' HB3' ' HA ' ' B' ' 102' ' ' ALA . . . . . . . . 0 C--O 1.253 1.288 0 CA-C-O 118.551 -0.738 . . . . 71.35 110.45 -177.087 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.511 ' HE3' HD13 ' A' ' 3' ' ' ILE . 20.1 ptt? . . . . . 0 N--CA 1.486 1.344 0 N-CA-C 110.547 -0.168 . . . . 71.43 110.547 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 45.6 t30 -71.73 77.65 0.85 Allowed 'General case' 0 C--O 1.234 0.244 0 CA-C-O 121.298 0.571 . . . . 75.52 110.384 175.566 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.618 HG21 ' HB2' ' A' ' 6' ' ' LYS . 26.6 mm -71.29 136.37 25.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 115.339 -0.846 . . . . 51.02 111.103 174.473 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.69 ' HG ' ' HD3' ' B' ' 87' ' ' PRO . 86.5 mt -84.08 -46.78 11.61 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.044 -0.526 . . . . 74.21 109.799 175.526 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 34.1 t80 -137.34 128.22 27.32 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 116.059 -0.519 . . . . 54.43 110.296 -178.553 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.618 ' HB2' HG21 ' A' ' 3' ' ' ILE . 29.4 ttmt -136.02 142.09 44.41 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.222 0.534 . . . . 62.42 111.075 179.289 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.441 HG21 ' HB2' ' B' ' 48' ' ' GLN . 9.5 t -142.79 139.72 31.08 Favored 'General case' 0 C--O 1.238 0.458 0 CA-C-N 115.639 -0.709 . . . . 73.02 109.524 -178.471 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.536 ' HA ' ' HA ' ' B' ' 82' ' ' GLU . . . -110.63 147.76 33.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.925 0.393 . . . . 64.34 111.554 -174.58 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.709 ' HA ' ' HA ' ' A' ' 21' ' ' SER . . . -143.84 121.16 11.59 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 115.89 -0.596 . . . . 65.14 110.375 177.915 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.494 ' HA ' ' HA ' ' B' ' 80' ' ' THR . 13.5 t -99.92 130.07 46.06 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 116.091 -0.504 . . . . 73.43 109.927 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 52.6 p -117.47 113.45 22.06 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.955 -0.566 . . . . 71.32 110.006 179.443 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.6 m -97.11 163.47 12.92 Favored 'General case' 0 C--O 1.239 0.518 0 CA-C-N 115.998 -0.546 . . . . 72.12 111.377 -175.376 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.513 ' HA2' HD21 ' B' ' 59' ' ' LEU . . . -78.79 74.02 2.2 Favored Glycine 0 N--CA 1.449 -0.488 0 CA-C-N 115.893 -0.594 . . . . 62.44 112.065 175.114 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -68.47 -147.0 0.16 Allowed Glycine 0 CA--C 1.524 0.622 0 C-N-CA 121.153 -0.546 . . . . 62.02 112.089 172.744 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 17.7 tpp180 -62.06 -52.08 65.37 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 117.085 0.442 . . . . 73.04 110.289 177.692 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.535 ' HB3' ' HA ' ' A' ' 31' ' ' SER . 10.1 t0 -124.8 -42.86 2.03 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 108.62 -0.881 . . . . 74.22 108.62 177.877 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -164.81 152.76 22.58 Favored Glycine 0 C--N 1.339 0.744 0 C-N-CA 120.389 -0.91 . . . . 73.12 112.485 163.202 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.458 ' HD3' ' HB2' ' A' ' 29' ' ' LYS . 22.8 tpp180 -116.52 149.94 38.75 Favored 'General case' 0 N--CA 1.465 0.313 0 N-CA-C 109.076 -0.713 . . . . 73.24 109.076 175.007 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -146.88 123.83 11.35 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 120.747 0.308 . . . . 71.12 110.367 177.149 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 86.5 m -145.84 110.56 5.14 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.451 -0.341 . . . . 63.53 110.531 -176.542 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.709 ' HA ' ' HA ' ' A' ' 9' ' ' ALA . 30.7 t -71.1 112.07 6.95 Favored 'General case' 0 C--O 1.246 0.892 0 N-CA-C 107.642 -1.244 . . . . 62.3 107.642 177.62 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 66.9 t60 -63.77 -9.9 16.98 Favored 'General case' 0 N--CA 1.469 0.49 0 O-C-N 125.779 1.924 . . . . 71.44 111.992 -165.881 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.479 ' HB2' ' HE3' ' A' ' 25' ' ' LYS . 38.2 m-20 -80.26 12.64 2.78 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.264 -0.643 . . . . 73.43 109.264 172.793 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 33.5 mm-40 67.56 14.5 9.59 Favored 'General case' 0 C--N 1.34 0.152 0 CA-C-N 115.352 -0.84 . . . . 72.53 110.634 178.502 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.479 ' HE3' ' HB2' ' A' ' 23' ' ' ASP . 17.7 ptpt -92.71 -12.32 31.73 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 116.104 -0.498 . . . . 73.44 111.17 -177.846 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.463 ' HB3' ' CB ' ' A' ' 21' ' ' SER . 58.0 tp -146.64 139.57 25.37 Favored 'General case' 0 CA--C 1.505 -0.759 0 C-N-CA 119.595 -0.842 . . . . 74.42 111.247 173.654 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -153.02 91.66 1.56 Allowed 'General case' 0 N--CA 1.445 -0.678 0 CA-C-N 114.968 -1.015 . . . . 74.13 110.23 -178.571 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 3.3 m -145.72 178.43 1.31 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.207 0 CA-C-O 121.683 0.754 . . . . 62.12 111.523 179.044 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.458 ' HB2' ' HD3' ' A' ' 18' ' ' ARG . 1.3 tmtt? -139.89 143.22 36.57 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 114.792 -1.095 . . . . 62.42 108.837 177.621 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.558 HD21 ' HB1' ' B' ' 56' ' ' ALA . 0.0 OUTLIER -126.26 175.43 7.81 Favored 'General case' 0 C--O 1.251 1.138 0 CA-C-O 121.35 0.595 . . . . 64.12 111.522 -175.038 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.535 ' HA ' ' HB3' ' A' ' 16' ' ' ASP . 35.9 t -151.74 126.32 9.5 Favored 'General case' 0 N--CA 1.446 -0.645 0 CA-C-N 114.765 -1.107 . . . . 75.34 111.033 -176.163 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.654 ' HA ' ' HD2' ' A' ' 46' ' ' PRO . . . -61.23 142.27 93.55 Favored Pre-proline 0 N--CA 1.449 -0.5 0 N-CA-C 109.181 -0.674 . . . . 52.21 109.181 170.89 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 30.7 Cg_endo -62.28 93.74 0.13 Allowed 'Trans proline' 0 N--CA 1.459 -0.552 0 C-N-CA 121.741 1.627 . . . . 73.33 110.22 -178.107 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.5 ' HG3' ' N ' ' A' ' 40' ' ' GLY . 2.3 tmt_? -69.77 77.3 0.45 Allowed 'General case' 0 N--CA 1.455 -0.184 0 CA-C-O 122.005 0.907 . . . . 50.12 110.474 -173.172 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -136.59 -35.45 0.73 Allowed 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 113.958 -1.473 . . . . 75.14 108.539 175.47 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.432 HD21 ' HB2' ' B' ' 4' ' ' LEU . 6.4 mp -106.46 -52.97 2.7 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 115.143 -0.935 . . . . 63.44 110.144 -176.562 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -169.1 61.88 0.19 Allowed Glycine 0 C--N 1.337 0.595 0 C-N-CA 120.476 -0.869 . . . . 72.22 113.609 177.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -110.26 -140.24 8.52 Favored Glycine 0 C--N 1.336 0.583 0 N-CA-C 111.324 -0.711 . . . . 73.44 111.324 173.391 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -133.45 -22.72 1.93 Allowed 'General case' 0 N--CA 1.472 0.628 0 N-CA-C 111.99 0.367 . . . . 63.22 111.99 -176.245 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.5 ' N ' ' HG3' ' A' ' 34' ' ' ARG . . . 95.26 100.47 1.79 Allowed Glycine 0 C--N 1.332 0.324 0 C-N-CA 121.317 -0.468 . . . . 45.53 113.276 178.225 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.472 ' HB3' ' HB2' ' A' ' 31' ' ' SER . . . -168.07 168.98 11.5 Favored 'General case' 0 C--O 1.234 0.269 0 C-N-CA 122.56 0.344 . . . . 44.21 110.108 174.745 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.403 ' O ' ' HG3' ' A' ' 42' ' ' GLU . 11.8 pt-20 -95.82 98.38 10.39 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.924 0.869 . . . . 71.23 109.171 172.929 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -156.82 -167.31 17.81 Favored Glycine 0 C--N 1.311 -0.852 0 CA-C-N 114.819 -1.082 . . . . 55.55 111.759 177.474 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.519 ' O ' ' HB2' ' A' ' 30' ' ' LEU . 20.6 p -91.27 146.64 23.65 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 110.126 -0.324 . . . . 74.01 110.126 -179.003 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 11.1 m120 -82.82 126.39 73.1 Favored Pre-proline 0 C--N 1.327 -0.398 0 N-CA-C 109.545 -0.539 . . . . 72.33 109.545 -177.641 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.654 ' HD2' ' HA ' ' A' ' 32' ' ' ALA . 9.6 Cg_endo -50.57 -44.4 40.28 Favored 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 123.209 2.606 . . . . 63.04 112.985 -176.884 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -60.57 -48.78 80.25 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-O 121.76 0.791 . . . . 62.13 109.187 179.174 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.551 ' OE1' HG23 ' B' ' 7' ' ' THR . 13.9 tp60 -68.05 -30.61 69.86 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 114.752 -1.113 . . . . 72.35 110.791 -179.258 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.556 HD12 ' HA3' ' B' ' 53' ' ' GLY . 2.5 tm? -66.48 -46.63 75.66 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.951 -0.759 . . . . 71.11 108.951 -178.439 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 18.4 t80 -60.96 -49.51 77.15 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.081 -0.509 . . . . 64.45 109.952 173.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.402 ' HB1' ' HB1' ' A' ' 81' ' ' ALA . . . -54.73 -41.97 71.01 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 115.987 -0.551 . . . . 52.03 111.077 178.875 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -71.33 -48.37 50.78 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 116.298 -0.41 . . . . 51.43 110.818 -178.251 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.546 ' HA3' HD12 ' B' ' 49' ' ' LEU . . . -60.71 -39.85 97.23 Favored Glycine 0 N--CA 1.451 -0.326 0 CA-C-N 115.896 -0.593 . . . . 45.35 111.996 179.715 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -72.03 -40.48 68.41 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 110.013 -0.366 . . . . 71.4 110.013 178.327 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 11.6 t -58.86 -40.05 83.16 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.138 0.494 . . . . 50.31 109.701 178.388 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.524 ' HB1' HD21 ' B' ' 30' ' ' LEU . . . -75.41 -41.2 56.63 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 115.762 -0.654 . . . . 72.41 110.664 177.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 40.1 t -58.64 -36.44 74.12 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.965 -0.561 . . . . 74.4 110.077 177.431 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 23.2 t80 -59.86 -36.69 77.39 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.839 -0.618 . . . . 64.12 110.204 -178.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 95.2 mt -64.03 -45.25 89.72 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.818 -0.628 . . . . 74.12 109.982 176.299 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.468 ' O ' ' HB3' ' A' ' 63' ' ' LYS . 9.2 t -67.33 -33.53 75.45 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-N 115.872 -0.604 . . . . 74.4 110.298 -179.703 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.423 ' O ' HG23 ' A' ' 65' ' ' VAL . . . -65.44 -51.06 62.87 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.115 -0.493 . . . . 64.15 109.99 177.036 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.9 -32.17 73.39 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.254 -0.43 . . . . 61.32 110.619 177.108 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.468 ' HB3' ' O ' ' A' ' 60' ' ' SER . 40.2 tttp -58.36 -51.99 67.48 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.799 -0.637 . . . . 62.32 109.996 174.74 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 54.7 t80 -69.83 -42.92 72.99 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 115.73 -0.668 . . . . 70.35 110.921 -177.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.423 HG23 ' O ' ' A' ' 61' ' ' ALA . 54.6 t -56.97 -52.08 60.36 Favored 'Isoleucine or valine' 0 C--O 1.233 0.196 0 CA-C-O 120.781 0.324 . . . . 51.41 110.194 178.881 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -57.95 -34.97 70.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.283 0.563 . . . . 55.45 109.639 177.338 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -68.47 -31.06 73.41 Favored Glycine 0 N--CA 1.451 -0.324 0 CA-C-N 114.907 -1.042 . . . . 65.01 112.251 -177.368 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -95.42 -15.23 23.15 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.192 -0.669 . . . . 73.33 109.192 -179.747 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -94.3 2.0 55.88 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 115.081 -0.963 . . . . 73.35 110.51 176.408 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.459 ' N ' ' HD3' ' A' ' 70' ' ' LYS . 19.6 mmtm 64.66 23.11 12.74 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.41 -0.814 . . . . 70.5 110.863 171.682 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -117.75 165.89 13.09 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.239 -0.892 . . . . 65.11 109.511 178.687 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 15.6 p -126.72 141.41 51.85 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 116.434 -0.348 . . . . 71.13 110.291 176.9 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.508 HD22 HD21 ' A' ' 103' ' ' LEU . 89.5 mt -107.85 144.07 28.59 Favored Pre-proline 0 C--N 1.324 -0.526 0 CA-C-N 115.953 -0.567 . . . . 63.13 109.542 179.558 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.417 ' O ' HG22 ' A' ' 77' ' ' THR . 52.8 Cg_exo -56.5 134.31 63.55 Favored 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 122.738 2.292 . . . . 75.32 112.214 -179.35 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -76.98 -1.47 28.93 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-O 121.322 0.582 . . . . 74.43 110.936 179.384 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -85.55 2.61 44.18 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.458 -0.792 . . . . 72.44 110.689 179.16 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.494 ' HB ' HD12 ' A' ' 103' ' ' LEU . 10.3 t -77.52 160.68 28.46 Favored 'General case' 0 C--O 1.238 0.48 0 CA-C-N 115.574 -0.739 . . . . 73.42 111.919 -175.915 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 32.3 m -154.93 149.42 26.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.71 -0.677 . . . . 65.01 110.13 179.291 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 97.5 t -127.33 140.24 49.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 N-CA-C 108.687 -0.857 . . . . 73.54 108.687 176.526 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 60.6 m -128.6 114.65 16.96 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.784 0.325 . . . . 61.0 110.829 -178.79 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.402 ' HB1' ' HB1' ' A' ' 51' ' ' ALA . . . -94.57 104.59 16.54 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.038 -0.528 . . . . 75.0 110.048 177.003 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.523 ' HB3' ' HB3' ' A' ' 98' ' ' GLU . 42.3 tt0 -101.31 107.75 19.2 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.674 -0.693 . . . . 74.0 109.426 179.272 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.546 HG23 HG22 ' A' ' 97' ' ' VAL . 8.0 p -107.98 139.77 28.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 121.076 0.465 . . . . 74.25 111.465 -171.623 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -134.73 157.32 22.92 Favored Glycine 0 N--CA 1.446 -0.689 0 N-CA-C 111.338 -0.705 . . . . 64.22 111.338 176.01 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.409 HD11 ' CD2' ' A' ' 93' ' ' PHE . 0.0 OUTLIER -136.22 132.66 49.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 N-CA-C 109.505 -0.554 . . . . 71.32 109.505 -179.522 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 86' ' ' GLY . . . . . 0.528 ' HA2' ' HG ' ' B' ' 4' ' ' LEU . . . -145.77 170.0 27.11 Favored Glycine 0 C--N 1.333 0.405 0 O-C-N 123.926 0.766 . . . . 64.2 111.309 -176.175 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.634 ' HD3' ' HG ' ' B' ' 4' ' ' LEU . 1.1 Cg_endo -79.86 128.9 7.81 Favored 'Trans proline' 0 N--CA 1.46 -0.45 0 C-N-CA 122.824 2.349 . . . . 75.13 111.999 -177.327 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' ASN . . . . . 0.495 ' HB2' ' HB2' ' A' ' 94' ' ' ALA . 51.5 t30 -79.52 147.94 32.0 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 109.551 -0.536 . . . . 63.43 109.551 174.662 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -62.8 -9.55 9.85 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.066 0.46 . . . . 74.31 111.775 -177.531 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -75.84 -21.1 57.59 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.961 -0.563 . . . . 62.35 111.267 177.284 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.2 23.09 8.27 Favored Glycine 0 CA--C 1.516 0.135 0 N-CA-C 111.601 -0.6 . . . . 52.42 111.601 -176.169 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -131.51 -159.0 9.32 Favored Glycine 0 N--CA 1.451 -0.338 0 N-CA-C 111.02 -0.832 . . . . 74.12 111.02 178.908 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.409 ' CD2' HD11 ' A' ' 85' ' ' ILE . 59.3 m-85 -104.75 155.47 18.86 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 117.068 0.434 . . . . 72.25 110.7 179.254 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.495 ' HB2' ' HB2' ' A' ' 88' ' ' ASN . . . -142.46 141.59 32.19 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.499 -0.773 . . . . 73.43 109.495 179.831 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -102.32 146.87 27.41 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.069 0.462 . . . . 75.45 110.931 -178.333 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -134.9 110.33 9.07 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 108.205 -1.035 . . . . 62.1 108.205 176.085 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.835 ' HB ' HG22 ' A' ' 134' ' ' VAL . 45.5 t -112.14 110.64 32.94 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-O 121.057 0.456 . . . . 41.42 111.102 -177.133 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.523 ' HB3' ' HB3' ' A' ' 82' ' ' GLU . 32.3 tp10 -85.52 98.02 10.38 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 108.43 -0.952 . . . . 51.52 108.43 175.794 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 23.7 tp -96.63 107.04 19.41 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-O 121.07 0.462 . . . . 73.33 110.099 -176.797 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.514 ' HA ' ' O ' ' A' ' 137' ' ' VAL . 20.0 ttt85 -100.34 119.96 39.22 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.123 -0.944 . . . . 73.43 110.581 -172.664 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 46.8 t -111.16 102.18 13.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 N-CA-C 110.393 -0.225 . . . . 72.23 110.393 -176.84 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -98.9 101.63 13.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.799 0.333 . . . . 73.1 110.537 -179.197 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.888 HD23 HD22 ' A' ' 106' ' ' LEU . 36.1 tp -116.77 118.96 36.12 Favored Pre-proline 0 C--N 1.328 -0.346 0 N-CA-C 108.936 -0.765 . . . . 73.31 108.936 177.617 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 104' ' ' PRO . . . . . 0.568 ' HD2' HD12 ' A' ' 103' ' ' LEU . 66.0 Cg_endo -75.21 152.13 39.44 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.605 2.203 . . . . 73.52 112.473 -175.847 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 70.91 15.2 73.83 Favored Glycine 0 CA--C 1.521 0.432 0 CA-C-N 115.795 -0.639 . . . . 54.45 112.335 -179.063 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.888 HD22 HD23 ' A' ' 103' ' ' LEU . 31.8 tp -119.02 144.28 46.61 Favored 'General case' 0 C--O 1.236 0.377 0 C-N-CA 122.956 0.502 . . . . 65.03 111.165 -174.784 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 107' ' ' ASP . . . . . 0.438 ' HB3' ' H ' ' A' ' 110' ' ' ALA . 2.5 t70 -77.81 162.01 27.22 Favored 'General case' 0 CA--C 1.513 -0.47 0 CA-C-N 116.182 -0.463 . . . . 72.42 110.269 176.934 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.522 ' O ' ' HG2' ' A' ' 112' ' ' LYS . . . -65.94 -45.7 80.84 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 115.269 -0.878 . . . . 74.35 109.981 170.04 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -62.92 -49.54 74.39 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 115.658 -0.701 . . . . 64.13 110.715 -177.052 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 0.557 ' O ' HG22 ' A' ' 113' ' ' THR . . . -65.06 -41.87 94.73 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.654 -0.703 . . . . 73.25 109.724 179.461 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 111' ' ' ALA . . . . . 0.462 ' HA ' HD21 ' A' ' 106' ' ' LEU . . . -54.77 -45.99 74.33 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.842 -0.617 . . . . 54.13 111.008 176.465 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 112' ' ' LYS . . . . . 0.522 ' HG2' ' O ' ' A' ' 108' ' ' ALA . 32.5 mmtp -51.99 -38.09 55.49 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 115.794 -0.639 . . . . 74.23 111.324 178.837 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 113' ' ' THR . . . . . 0.557 HG22 ' O ' ' A' ' 110' ' ' ALA . 0.7 OUTLIER -82.07 -35.42 28.7 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 121.162 -0.215 . . . . 74.22 110.957 -177.787 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.501 ' HG ' ' O ' ' A' ' 110' ' ' ALA . 44.2 mt -63.16 -50.83 68.85 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 121.122 0.486 . . . . 61.01 109.979 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.541 HG21 HG12 ' A' ' 138' ' ' VAL . 58.6 t -61.97 -32.82 55.47 Favored 'Isoleucine or valine' 0 C--O 1.238 0.488 0 CA-C-N 115.518 -0.764 . . . . 72.22 110.353 179.013 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -65.99 -60.69 2.59 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 115.967 -0.56 . . . . 63.5 110.891 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 117' ' ' ARG . . . . . 0.513 ' HG2' ' O ' ' A' ' 113' ' ' THR . 12.6 ptm180 -60.04 -38.35 82.47 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 116.395 -0.366 . . . . 65.24 110.129 -177.17 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -57.05 -49.99 74.14 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.874 -0.603 . . . . 63.41 110.075 175.445 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 119' ' ' HIS . . . . . 0.723 ' HB3' ' HD2' ' A' ' 129' ' ' ARG . 46.5 m80 -74.95 4.38 6.66 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.127 -0.488 . . . . 74.13 111.961 177.713 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 23.1 t-80 -108.5 -32.83 7.25 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.817 -0.174 . . . . 75.14 111.329 179.431 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.42 HG22 ' O ' ' A' ' 117' ' ' ARG . 29.2 m -104.72 -19.68 6.24 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.535 0 N-CA-C 113.068 0.766 . . . . 74.54 113.068 -173.325 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 122' ' ' CYS . . . . . 0.527 ' HB2' ' HB2' ' A' ' 125' ' ' SER . 78.7 m -81.29 140.85 49.09 Favored Pre-proline 0 CA--C 1.54 0.578 0 O-C-N 122.319 -0.238 . . . . 72.12 111.33 -177.187 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 6.7 Cg_endo -46.87 -61.79 0.55 Allowed 'Trans proline' 0 C--N 1.358 1.049 0 C-N-CA 124.213 3.275 . . . . 74.45 114.028 -170.05 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -113.05 47.46 1.11 Allowed 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 121.716 0.77 . . . . 65.44 110.581 -179.814 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 125' ' ' SER . . . . . 0.602 ' O ' HG22 ' A' ' 128' ' ' THR . 68.5 m -115.05 -28.52 6.97 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.192 -0.913 . . . . 62.44 110.327 173.59 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 31.6 p-10 -72.21 -32.52 66.84 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 108.969 -0.752 . . . . 73.42 108.969 173.876 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 127' ' ' ALA . . . . . 0.517 ' O ' ' HB3' ' A' ' 131' ' ' ASN . . . -63.35 -17.33 62.48 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.003 -0.999 . . . . 54.1 112.047 177.848 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 128' ' ' THR . . . . . 0.602 HG22 ' O ' ' A' ' 125' ' ' SER . 1.0 OUTLIER -97.27 -11.84 23.65 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.268 -0.642 . . . . 73.21 109.268 -171.012 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 129' ' ' ARG . . . . . 0.723 ' HD2' ' HB3' ' A' ' 119' ' ' HIS . 15.4 ptm180 -114.06 -47.67 2.94 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.441 -0.8 . . . . 72.04 110.267 -176.663 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 130' ' ' ASN . . . . . 0.413 ' N ' ' HG3' ' A' ' 129' ' ' ARG . 83.6 m-20 -78.84 -26.03 44.1 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.55 -0.75 . . . . 71.52 111.505 -178.171 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 131' ' ' ASN . . . . . 0.517 ' HB3' ' O ' ' A' ' 127' ' ' ALA . 0.2 OUTLIER -115.31 -32.18 5.72 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 115.726 -0.67 . . . . 72.12 110.856 -173.136 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 132' ' ' VAL . . . . . 0.478 ' HB ' ' HA ' ' A' ' 128' ' ' THR . 65.5 t -116.85 154.43 18.49 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.392 0 CA-C-N 116.374 -0.375 . . . . 70.22 110.358 -175.861 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -87.26 95.21 9.9 Favored 'General case' 0 C--O 1.24 0.594 0 CA-C-O 121.733 0.778 . . . . 45.42 111.534 -178.54 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 134' ' ' VAL . . . . . 0.835 HG22 ' HB ' ' A' ' 97' ' ' VAL . 69.9 t -125.33 119.9 56.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.096 -0.957 . . . . 75.02 110.845 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 4.6 tpp180 -78.84 111.55 15.1 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.274 -0.639 . . . . 72.41 109.274 173.597 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 75.7 mt -83.52 101.44 11.43 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.522 0.677 . . . . 50.04 110.71 178.439 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 137' ' ' VAL . . . . . 0.514 ' O ' ' HA ' ' A' ' 100' ' ' ARG . 0.2 OUTLIER -110.29 114.58 47.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 114.816 -1.084 . . . . 74.42 110.081 -177.826 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 138' ' ' VAL . . . . . 0.541 HG12 HG21 ' A' ' 115' ' ' VAL . 3.2 m -93.69 138.83 19.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 115.607 -0.724 . . . . 53.11 109.852 -178.871 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.315 -0.902 0 CA-C-N 115.656 -0.702 . . . . 73.13 110.74 -176.16 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 19.4 ptt? . . . . . 0 C--O 1.236 0.361 0 CA-C-O 120.894 0.378 . . . . 72.42 110.859 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 44.0 t30 -75.64 72.23 2.58 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.418 0.628 . . . . 61.35 110.537 177.165 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 3' ' ' ILE . . . . . 0.538 HG21 ' HB2' ' B' ' 6' ' ' LYS . 31.9 mm -67.97 133.01 32.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.583 -0.735 . . . . 72.42 111.492 175.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.634 ' HG ' ' HD3' ' A' ' 87' ' ' PRO . 86.6 mt -87.57 -49.76 6.97 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.584 -0.735 . . . . 75.25 109.849 174.377 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 5' ' ' TYR . . . . . . . . . . . . . 16.9 t80 -132.11 131.09 42.01 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.875 -0.602 . . . . 75.45 109.699 -178.004 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 6' ' ' LYS . . . . . 0.538 ' HB2' HG21 ' B' ' 3' ' ' ILE . 38.0 ttmt -135.85 149.57 49.09 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.056 0.455 . . . . 65.01 110.95 176.535 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 7' ' ' THR . . . . . 0.551 HG23 ' OE1' ' A' ' 48' ' ' GLN . 8.5 t -154.57 168.07 27.99 Favored 'General case' 0 CA--C 1.536 0.424 0 N-CA-C 108.636 -0.875 . . . . 72.52 108.636 178.352 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 8' ' ' ALA . . . . . 0.433 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . . . -136.24 150.84 49.15 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-O 121.14 0.495 . . . . 64.22 111.828 -174.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 9' ' ' ALA . . . . . 0.572 ' HA ' ' H ' ' B' ' 22' ' ' HIS . . . -136.44 125.21 23.94 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.986 -0.552 . . . . 31.45 110.483 175.453 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 61.3 m -105.85 116.26 31.64 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.543 -0.753 . . . . 64.31 110.221 -178.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 74.0 p -104.42 113.38 26.9 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 110.109 -0.33 . . . . 74.14 110.109 175.37 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 8.1 m -98.51 160.52 14.22 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.414 -0.357 . . . . 53.42 110.557 179.787 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -77.95 75.93 1.82 Allowed Glycine 0 N--CA 1.443 -0.835 0 C-N-CA 120.883 -0.675 . . . . 71.12 111.587 173.571 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -61.13 -107.53 0.01 OUTLIER Glycine 0 C--N 1.334 0.436 0 C-N-CA 121.355 -0.45 . . . . 73.4 112.122 174.075 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 15' ' ' ARG . . . . . 0.44 ' HA ' ' HD2' ' B' ' 15' ' ' ARG . 14.2 tpt180 -86.16 -54.53 4.41 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 117.332 0.566 . . . . 65.14 109.568 174.194 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -125.55 -42.86 1.92 Allowed 'General case' 0 N--CA 1.463 0.216 0 N-CA-C 109.231 -0.655 . . . . 65.33 109.231 171.646 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -153.61 146.47 14.82 Favored Glycine 0 C--N 1.336 0.566 0 N-CA-C 111.01 -0.836 . . . . 74.22 111.01 165.347 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 18' ' ' ARG . . . . . 0.463 ' HA ' ' HA ' ' B' ' 29' ' ' LYS . 0.9 OUTLIER -136.32 105.08 5.84 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 108.999 -0.741 . . . . 74.4 108.999 179.513 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -98.52 123.96 42.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.3 -0.409 . . . . 64.21 110.23 -174.427 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 22.6 m -130.27 114.58 15.82 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.242 -0.435 . . . . 75.11 111.015 -177.163 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 21' ' ' SER . . . . . 0.526 ' HB3' ' N ' ' B' ' 26' ' ' LEU . 34.7 t -66.48 108.04 2.26 Favored 'General case' 0 C--O 1.244 0.813 0 N-CA-C 106.781 -1.563 . . . . 74.21 106.781 174.181 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 22' ' ' HIS . . . . . 0.572 ' H ' ' HA ' ' B' ' 9' ' ' ALA . 51.1 t-80 -55.61 -21.31 17.04 Favored 'General case' 0 N--CA 1.467 0.393 0 O-C-N 125.679 1.862 . . . . 73.12 112.983 -162.419 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 23' ' ' ASP . . . . . 0.519 ' HB2' ' HE2' ' B' ' 25' ' ' LYS . 1.7 m-20 -80.28 19.48 0.75 Allowed 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 110.058 -0.349 . . . . 63.54 110.058 178.527 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 30.4 mm-40 62.75 23.15 13.8 Favored 'General case' 0 C--O 1.231 0.122 0 CA-C-N 115.977 -0.556 . . . . 71.43 109.884 -178.112 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 25' ' ' LYS . . . . . 0.519 ' HE2' ' HB2' ' B' ' 23' ' ' ASP . 51.9 mtmt -86.93 -25.71 24.24 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 115.498 -0.774 . . . . 41.25 110.756 -179.603 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 26' ' ' LEU . . . . . 0.526 ' N ' ' HB3' ' B' ' 21' ' ' SER . 48.0 tp -149.33 147.76 28.71 Favored 'General case' 0 CA--C 1.508 -0.647 0 C-N-CA 120.66 -0.416 . . . . 71.52 110.976 177.766 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 13.1 p-10 -158.85 90.85 1.01 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.5 -0.773 . . . . 53.33 110.302 -177.566 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 8.1 m -141.17 176.32 4.73 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.466 0 CA-C-O 121.573 0.701 . . . . 74.12 112.19 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 29' ' ' LYS . . . . . 0.463 ' HA ' ' HA ' ' B' ' 18' ' ' ARG . 4.0 ttpm? -125.82 142.98 51.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 114.671 -1.15 . . . . 64.31 110.689 -177.474 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 30' ' ' LEU . . . . . 0.812 ' HA ' ' H ' ' B' ' 44' ' ' THR . 0.0 OUTLIER -130.66 166.76 20.01 Favored 'General case' 0 C--O 1.248 1.0 0 CA-C-N 116.057 -0.519 . . . . 72.32 110.134 174.183 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 31' ' ' SER . . . . . 0.514 ' OG ' ' HB3' ' B' ' 41' ' ' ALA . 34.1 m -150.73 149.6 30.0 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 115.801 -0.636 . . . . 62.35 111.204 -178.637 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -75.74 140.63 71.31 Favored Pre-proline 0 C--O 1.239 0.551 0 CA-C-N 115.784 -0.644 . . . . 75.13 110.868 177.503 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 33' ' ' PRO . . . . . 0.511 ' HG3' HD22 ' B' ' 45' ' ' ASN . 43.9 Cg_exo -56.03 117.59 4.25 Favored 'Trans proline' 0 C--N 1.352 0.726 0 C-N-CA 122.897 2.398 . . . . 71.3 111.584 179.707 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 34' ' ' ARG . . . . . 0.487 ' HA ' ' H ' ' B' ' 38' ' ' GLY . 62.9 ttt180 -71.33 -16.36 62.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.348 0.594 . . . . 71.43 110.751 -175.376 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 35' ' ' GLU . . . . . 0.446 ' CD ' ' H ' ' B' ' 35' ' ' GLU . 5.9 mp0 -57.72 -27.37 62.91 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 114.827 -1.079 . . . . 72.42 110.124 178.16 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 4.8 mp -111.95 19.23 18.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.217 -0.901 . . . . 63.52 110.056 -173.104 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 83.34 65.1 1.6 Allowed Glycine 0 C--N 1.332 0.33 0 N-CA-C 111.505 -0.638 . . . . 51.22 111.505 -176.455 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 38' ' ' GLY . . . . . 0.487 ' H ' ' HA ' ' B' ' 34' ' ' ARG . . . -120.26 -131.46 4.13 Favored Glycine 0 C--N 1.329 0.194 0 C-N-CA 121.133 -0.556 . . . . 64.12 112.507 -174.477 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -120.61 -35.04 3.46 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 120.851 0.358 . . . . 71.25 110.798 179.384 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 40' ' ' GLY . . . . . 0.422 ' CA ' ' HB2' ' B' ' 34' ' ' ARG . . . 70.15 29.14 70.7 Favored Glycine 0 C--N 1.333 0.38 0 C-N-CA 121.055 -0.593 . . . . 53.13 113.183 178.357 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 41' ' ' ALA . . . . . 0.514 ' HB3' ' OG ' ' B' ' 31' ' ' SER . . . -82.1 157.35 24.12 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.801 -0.444 . . . . 45.11 109.801 176.506 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -74.27 74.16 1.82 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.705 0.764 . . . . 74.14 110.513 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -133.0 -160.03 9.36 Favored Glycine 0 N--CA 1.453 -0.212 0 CA-C-N 114.994 -1.003 . . . . 72.12 111.565 178.105 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 44' ' ' THR . . . . . 0.812 ' H ' ' HA ' ' B' ' 30' ' ' LEU . 51.9 p -113.47 164.87 13.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.788 0.294 . . . . 35.03 110.81 -178.816 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 45' ' ' ASN . . . . . 0.511 HD22 ' HG3' ' B' ' 33' ' ' PRO . 12.2 m120 -85.9 127.06 63.8 Favored Pre-proline 0 C--N 1.329 -0.298 0 N-CA-C 109.708 -0.479 . . . . 71.14 109.708 178.613 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 46' ' ' PRO . . . . . . . . . . . . . 14.6 Cg_endo -56.36 -50.76 11.0 Favored 'Trans proline' 0 C--N 1.35 0.637 0 C-N-CA 122.814 2.343 . . . . 54.41 112.26 -178.346 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -55.69 -37.07 67.85 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-O 121.256 0.551 . . . . 73.03 110.428 179.461 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 48' ' ' GLN . . . . . 0.447 ' OE1' ' HB2' ' A' ' 21' ' ' SER . 0.9 OUTLIER -65.45 -42.42 92.37 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.672 -0.694 . . . . 65.22 110.12 177.952 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 49' ' ' LEU . . . . . 0.546 HD12 ' HA3' ' A' ' 53' ' ' GLY . 2.3 tm? -61.86 -43.46 98.79 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.692 -0.685 . . . . 73.15 109.372 -178.123 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 25.3 t80 -62.51 -45.98 90.53 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 115.866 -0.606 . . . . 74.53 110.487 175.645 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 51' ' ' ALA . . . . . 0.539 ' HB2' HG11 ' B' ' 83' ' ' VAL . . . -56.51 -53.21 60.2 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.216 -0.447 . . . . 63.22 111.606 179.473 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -61.06 -40.34 93.28 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 116.05 -0.523 . . . . 74.31 110.367 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 53' ' ' GLY . . . . . 0.556 ' HA3' HD12 ' A' ' 49' ' ' LEU . . . -62.29 -48.04 85.35 Favored Glycine 0 N--CA 1.448 -0.531 0 CA-C-N 115.642 -0.708 . . . . 73.22 112.429 177.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -63.54 -44.14 95.05 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 110.283 -0.265 . . . . 73.14 110.283 -178.285 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 55' ' ' SER . . . . . 0.504 ' OG ' ' HB2' ' B' ' 81' ' ' ALA . 30.5 m -63.9 -51.97 62.07 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.777 0.323 . . . . 71.55 110.774 -179.041 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 56' ' ' ALA . . . . . 0.558 ' HB1' HD21 ' A' ' 30' ' ' LEU . . . -62.48 -35.41 79.26 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.168 -0.469 . . . . 72.32 110.556 179.023 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 57' ' ' CYS . . . . . 0.564 ' SG ' ' HB2' ' A' ' 46' ' ' PRO . 45.7 t -68.91 -37.08 78.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.848 -0.615 . . . . 72.4 110.273 177.74 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 30.6 t80 -67.92 -25.98 65.74 Favored 'General case' 0 N--CA 1.452 -0.36 0 N-CA-C 109.5 -0.556 . . . . 52.32 109.5 -176.233 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 59' ' ' LEU . . . . . 0.513 HD21 ' HA2' ' A' ' 13' ' ' GLY . 66.1 tp -62.21 -52.79 62.36 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 115.684 -0.689 . . . . 64.41 109.944 174.004 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 60' ' ' SER . . . . . 0.437 ' O ' ' HB3' ' B' ' 63' ' ' LYS . 19.1 t -66.94 -37.51 84.43 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 115.916 -0.584 . . . . 73.23 110.519 -179.249 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -62.45 -46.91 86.38 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.969 0.414 . . . . 44.1 110.192 176.701 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 62' ' ' MET . . . . . . . . . . . . . 3.1 tpt -64.02 -33.79 76.54 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.738 -0.665 . . . . 71.0 109.786 178.456 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 63' ' ' LYS . . . . . 0.437 ' HB3' ' O ' ' B' ' 60' ' ' SER . 46.7 tptt -60.19 -51.99 67.22 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 115.413 -0.812 . . . . 72.03 110.205 176.66 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 81.6 t80 -64.35 -45.01 89.65 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 115.582 -0.735 . . . . 73.11 110.772 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 55.4 t -57.5 -41.86 79.73 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-N 116.311 -0.404 . . . . 75.05 110.629 178.419 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 66' ' ' ALA . . . . . 0.418 ' HA ' ' HB2' ' B' ' 69' ' ' ASN . . . -53.8 -31.17 48.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.119 -0.492 . . . . 74.13 110.693 176.518 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -67.23 -39.51 92.27 Favored Glycine 0 C--N 1.331 0.296 0 CA-C-N 115.824 -0.625 . . . . 75.04 111.989 -179.5 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -90.44 -9.9 45.78 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.633 0.73 . . . . 64.5 109.38 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 69' ' ' ASN . . . . . 0.546 ' HB3' ' HG2' ' B' ' 71' ' ' GLN . 0.9 OUTLIER -92.23 -1.17 57.28 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 114.85 -1.068 . . . . 65.21 110.37 174.315 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 1.8 mptp? 61.19 24.44 14.54 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 115.944 -0.571 . . . . 73.12 111.365 174.691 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 71' ' ' GLN . . . . . 0.546 ' HG2' ' HB3' ' B' ' 69' ' ' ASN . 3.1 pt20 -124.61 161.24 26.66 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.003 -0.544 . . . . 74.24 110.669 -176.538 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 14.9 p -119.9 132.72 55.63 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.938 -0.574 . . . . 74.12 109.929 175.596 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -109.24 147.2 35.49 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.308 -0.405 . . . . 75.15 110.66 -179.051 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 74' ' ' PRO . . . . . 0.655 ' HD2' HD11 ' B' ' 103' ' ' LEU . 31.2 Cg_exo -59.99 137.06 73.56 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.699 2.266 . . . . 62.01 112.447 178.84 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -76.9 -24.66 52.5 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.758 0.79 . . . . 71.53 110.882 178.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 37.1 m-20 -80.74 21.9 0.63 Allowed 'General case' 0 C--N 1.313 -0.988 0 CA-C-N 114.599 -1.182 . . . . 60.22 111.488 -171.74 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 77' ' ' THR . . . . . 0.524 ' HB ' HD12 ' B' ' 103' ' ' LEU . 7.6 t -88.92 172.98 8.76 Favored 'General case' 0 C--O 1.237 0.421 0 C-N-CA 122.656 0.382 . . . . 73.25 111.791 -175.348 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 16.6 m -152.63 149.27 28.26 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-O 121.057 0.456 . . . . 71.23 110.964 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 72.9 t -131.42 121.05 47.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 N-CA-C 109.069 -0.715 . . . . 54.24 109.069 174.078 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 80' ' ' THR . . . . . 0.494 ' HA ' ' HA ' ' A' ' 10' ' ' THR . 23.7 m -107.18 109.22 20.98 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 116.439 -0.346 . . . . 72.42 110.851 -177.761 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 81' ' ' ALA . . . . . 0.504 ' HB2' ' OG ' ' B' ' 55' ' ' SER . . . -96.66 114.81 26.48 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.435 -0.348 . . . . 73.43 110.393 178.275 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 82' ' ' GLU . . . . . 0.536 ' HA ' ' HA ' ' A' ' 8' ' ' ALA . 41.8 tt0 -112.53 107.99 16.93 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.454 -0.572 . . . . 71.23 109.454 177.759 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 83' ' ' VAL . . . . . 0.562 HG12 HG22 ' B' ' 97' ' ' VAL . 27.3 m -104.17 146.59 11.4 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.258 0 CA-C-N 116.214 -0.448 . . . . 71.44 111.271 -174.754 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 84' ' ' GLY . . . . . 0.413 ' HA2' ' HA ' ' A' ' 6' ' ' LYS . . . -142.28 161.95 27.25 Favored Glycine 0 N--CA 1.442 -0.957 0 CA-C-N 115.858 -0.61 . . . . 52.45 111.607 178.824 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -132.7 130.79 59.51 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 N-CA-C 108.659 -0.867 . . . . 73.1 108.659 178.091 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 86' ' ' GLY . . . . . 0.466 ' HA2' ' HG ' ' A' ' 4' ' ' LEU . . . -150.5 169.71 30.4 Favored Glycine 0 N--CA 1.451 -0.322 0 CA-C-N 115.706 -0.679 . . . . 52.3 111.511 -178.414 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 87' ' ' PRO . . . . . 0.69 ' HD3' ' HG ' ' A' ' 4' ' ' LEU . 7.8 Cg_exo -71.89 125.38 10.95 Favored 'Trans proline' 0 C--N 1.344 0.3 0 C-N-CA 122.792 2.328 . . . . 61.3 111.77 -178.444 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 88' ' ' ASN . . . . . 0.424 ' HB2' ' HB2' ' B' ' 94' ' ' ALA . 51.9 t-20 -77.24 146.33 36.99 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.149 -0.686 . . . . 72.3 109.149 176.171 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -62.66 -13.55 33.23 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-O 121.202 0.525 . . . . 65.22 110.863 178.891 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -67.41 -22.61 65.53 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 115.329 -0.851 . . . . 74.05 111.254 175.492 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.1 23.41 8.14 Favored Glycine 0 C--O 1.235 0.21 0 N-CA-C 111.66 -0.576 . . . . 72.2 111.66 -176.12 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . -137.36 -144.33 4.73 Favored Glycine 0 N--CA 1.452 -0.253 0 N-CA-C 111.107 -0.797 . . . . 70.13 111.107 178.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 93' ' ' PHE . . . . . . . . . . . . . 63.2 m-85 -111.04 167.91 9.89 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 117.117 0.459 . . . . 73.12 110.533 178.156 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 94' ' ' ALA . . . . . 0.424 ' HB2' ' HB2' ' B' ' 88' ' ' ASN . . . -153.14 132.83 13.09 Favored 'General case' 0 C--O 1.239 0.534 0 CA-C-N 115.896 -0.593 . . . . 62.21 109.889 179.08 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -95.45 121.66 37.36 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.834 -0.621 . . . . 74.21 110.05 177.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 96' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -109.97 111.73 23.3 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.18 -0.918 . . . . 73.53 109.481 -178.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 97' ' ' VAL . . . . . 0.562 HG22 HG12 ' B' ' 83' ' ' VAL . 63.7 t -114.03 110.65 32.88 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.828 0 CA-C-N 115.979 -0.555 . . . . 65.34 110.65 -174.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 98' ' ' GLU . . . . . 0.462 ' HG2' ' HB3' ' B' ' 135' ' ' ARG . 43.6 mt-10 -95.47 106.99 19.12 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.726 -0.472 . . . . 74.42 109.726 178.135 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 84.4 mt -94.0 106.62 18.59 Favored 'General case' 0 C--O 1.235 0.299 0 N-CA-C 109.487 -0.561 . . . . 61.12 109.487 179.653 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 100' ' ' ARG . . . . . 0.547 ' HA ' ' O ' ' B' ' 137' ' ' VAL . 77.6 ttt180 -99.42 122.94 43.23 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.672 -0.695 . . . . 64.11 110.073 -175.047 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 101' ' ' VAL . . . . . . . . . . . . . 89.7 t -110.5 118.72 57.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.353 -0.385 . . . . 60.12 110.941 -173.684 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -120.72 101.49 7.76 Favored 'General case' 0 C--O 1.238 0.449 0 CA-C-N 116.152 -0.476 . . . . 53.32 109.86 175.753 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 103' ' ' LEU . . . . . 0.758 HD23 HD22 ' B' ' 106' ' ' LEU . 42.1 tp -113.99 117.58 43.68 Favored Pre-proline 0 C--N 1.328 -0.356 0 N-CA-C 109.096 -0.705 . . . . 72.24 109.096 179.004 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 104' ' ' PRO . . . . . 0.547 ' HD2' HD12 ' B' ' 103' ' ' LEU . 32.8 Cg_endo -62.26 145.5 96.07 Favored 'Trans proline' 0 C--O 1.237 0.45 0 C-N-CA 122.677 2.252 . . . . 74.24 111.793 -179.051 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 105' ' ' GLY . . . . . . . . . . . . . . . 68.78 15.12 68.56 Favored Glycine 0 CA--C 1.52 0.391 0 CA-C-N 115.617 -0.72 . . . . 72.34 112.458 -177.225 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 106' ' ' LEU . . . . . 0.758 HD22 HD23 ' B' ' 103' ' ' LEU . 50.2 tp -121.39 139.63 53.19 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 120.996 0.427 . . . . 60.53 110.955 -179.813 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -82.65 167.58 18.12 Favored 'General case' 0 CA--C 1.516 -0.355 0 CA-C-N 115.708 -0.678 . . . . 63.12 110.634 179.6 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -68.44 -45.48 72.42 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.055 -0.52 . . . . 34.32 109.829 168.879 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -59.67 -47.38 85.84 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.505 -0.77 . . . . 64.51 110.64 -178.042 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 110' ' ' ALA . . . . . 0.452 ' O ' HG22 ' B' ' 113' ' ' THR . . . -70.99 -42.92 69.02 Favored 'General case' 0 C--O 1.238 0.462 0 CA-C-N 116.128 -0.487 . . . . 72.03 110.29 179.349 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 111' ' ' ALA . . . . . 0.403 ' HA ' HD21 ' B' ' 106' ' ' LEU . . . -54.53 -37.82 65.85 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 115.856 -0.611 . . . . 64.14 111.324 178.226 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 112' ' ' LYS . . . . . . . . . . . . . 23.4 mmmt -51.08 -45.95 61.62 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 116.049 -0.523 . . . . 74.45 111.357 179.381 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 113' ' ' THR . . . . . 0.452 HG22 ' O ' ' B' ' 110' ' ' ALA . 1.6 t -82.16 -37.27 26.4 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.368 -0.378 . . . . 72.03 110.627 -177.026 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 33.9 mt -62.36 -45.96 90.83 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-O 120.752 0.311 . . . . 70.23 110.92 -178.218 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 115' ' ' VAL . . . . . 0.563 HG21 HG12 ' B' ' 138' ' ' VAL . 84.2 t -63.21 -37.55 79.75 Favored 'Isoleucine or valine' 0 C--O 1.243 0.724 0 CA-C-N 116.278 -0.419 . . . . 63.55 110.198 177.66 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 116' ' ' ASP . . . . . 0.612 ' O ' ' HB2' ' B' ' 120' ' ' HIS . 17.3 t70 -61.05 -61.51 2.52 Favored 'General case' 0 CA--C 1.52 -0.18 0 CA-C-N 115.836 -0.62 . . . . 75.43 109.883 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 117' ' ' ARG . . . . . 0.466 ' O ' HG22 ' B' ' 121' ' ' VAL . 16.0 ptm180 -57.38 -38.69 74.66 Favored 'General case' 0 N--CA 1.461 0.121 0 CA-C-N 116.296 -0.411 . . . . 70.2 110.61 -177.814 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -56.26 -56.11 25.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.842 -0.617 . . . . 61.11 110.986 178.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 79.0 m-70 -76.99 -14.05 59.89 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-O 120.675 0.274 . . . . 74.31 111.057 179.36 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 120' ' ' HIS . . . . . 0.612 ' HB2' ' O ' ' B' ' 116' ' ' ASP . 2.5 t-160 -77.57 -39.88 44.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.039 -0.528 . . . . 61.52 110.093 -177.457 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 121' ' ' VAL . . . . . 0.466 HG22 ' O ' ' B' ' 117' ' ' ARG . 32.4 m -95.21 -38.6 8.99 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.242 0 CA-C-N 116.135 -0.484 . . . . 63.42 111.455 -177.255 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 122' ' ' CYS . . . . . . . . . . . . . 77.0 m -126.99 82.5 67.94 Favored Pre-proline 0 CA--C 1.533 0.293 0 CA-C-O 120.89 0.376 . . . . 74.53 111.671 -177.075 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 123' ' ' PRO . . . . . . . . . . . . . 62.7 Cg_endo -96.11 158.56 1.37 Allowed 'Trans proline' 0 N--CA 1.454 -0.819 0 C-N-CA 122.951 2.434 . . . . 65.25 111.716 171.746 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 124' ' ' TYR . . . . . 0.527 ' HE2' ' SG ' ' B' ' 57' ' ' CYS . 0.1 OUTLIER . . . . . 0 N--CA 1.465 0.281 0 CA-C-O 121.669 0.747 . . . . 65.35 109.275 174.495 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 128' ' ' THR . . . . . . . . . . . . . 1.7 t . . . . . 0 N--CA 1.467 0.381 0 N-CA-C 109.06 -0.719 . . . . 55.14 109.06 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 129' ' ' ARG . . . . . . . . . . . . . 23.6 ptt85 -126.16 -43.23 1.81 Allowed 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 115.072 -0.967 . . . . 75.21 110.833 -177.906 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 130' ' ' ASN . . . . . . . . . . . . . 82.4 m-20 -77.06 -48.04 18.93 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 116.157 -0.474 . . . . 74.14 111.212 178.459 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 131' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -73.99 -43.84 56.72 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 116.132 -0.485 . . . . 75.43 110.907 -176.909 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 132' ' ' VAL . . . . . . . . . . . . . 56.1 t -88.27 134.36 28.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.89 -0.595 . . . . 52.13 109.671 178.235 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 133' ' ' ALA . . . . . . . . . . . . . . . -72.3 86.61 1.11 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.589 0.709 . . . . 72.23 110.417 -179.128 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 134' ' ' VAL . . . . . . . . . . . . . 46.6 t -100.43 119.68 48.87 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.758 0 CA-C-N 115.093 -0.958 . . . . 61.1 110.791 -179.524 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 135' ' ' ARG . . . . . 0.462 ' HB3' ' HG2' ' B' ' 98' ' ' GLU . 0.1 OUTLIER -88.8 108.32 19.44 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.561 -0.745 . . . . 74.32 109.424 175.386 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 54.3 mt -79.36 113.04 17.18 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.067 0.461 . . . . 72.41 110.11 175.906 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 137' ' ' VAL . . . . . 0.547 ' O ' ' HA ' ' B' ' 100' ' ' ARG . 0.2 OUTLIER -122.86 115.57 46.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.681 -0.691 . . . . 72.22 110.499 -177.614 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 138' ' ' VAL . . . . . 0.563 HG12 HG21 ' B' ' 115' ' ' VAL . 3.0 m -101.12 138.49 25.16 Favored 'Isoleucine or valine' 0 C--O 1.238 0.455 0 CA-C-N 115.786 -0.643 . . . . 70.52 109.865 -179.761 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 139' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.176 0 CA-C-O 118.594 -0.717 . . . . 71.35 110.817 -177.008 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.591 ' SD ' ' HB2' ' B' ' 96' ' ' ASP . 28.7 ptm . . . . . 0 N--CA 1.484 1.258 0 CA-C-O 120.935 0.398 . . . . 71.43 110.719 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 49.5 t30 -100.86 83.92 2.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.817 -0.628 . . . . 75.52 109.808 -179.125 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.528 HG21 ' HB2' ' A' ' 6' ' ' LYS . 29.6 mm -66.44 129.06 30.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.889 -0.596 . . . . 51.02 111.958 -178.495 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.748 ' HG ' ' HD3' ' B' ' 87' ' ' PRO . 88.3 mt -86.29 -43.44 12.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.58 -0.736 . . . . 74.21 109.742 174.201 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' TYR . . . . . 0.619 ' HE2' ' HG2' ' B' ' 35' ' ' GLU . 58.7 t80 -141.08 135.5 31.04 Favored 'General case' 0 CA--C 1.518 -0.273 0 CA-C-N 116.056 -0.52 . . . . 54.43 110.03 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.528 ' HB2' HG21 ' A' ' 3' ' ' ILE . 31.2 ttmt -145.49 139.62 26.95 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.933 0.397 . . . . 62.42 110.549 177.128 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 7.1 t -139.18 -180.0 6.19 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.454 -0.794 . . . . 73.02 109.092 177.855 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -151.5 148.44 28.04 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.886 0.374 . . . . 64.34 110.354 -178.003 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -137.92 131.96 31.69 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.115 -0.493 . . . . 65.14 109.988 -179.733 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 8.9 t -102.29 121.72 42.83 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.113 0.482 . . . . 73.43 109.817 -178.751 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 75.2 p -107.37 113.51 26.92 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.12 -0.491 . . . . 71.32 110.297 -179.02 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.3 m -85.76 151.95 23.43 Favored 'General case' 0 C--O 1.241 0.651 0 CA-C-N 116.235 -0.439 . . . . 72.12 110.627 -178.138 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -78.84 67.83 3.14 Favored Glycine 0 N--CA 1.444 -0.793 0 CA-C-N 115.825 -0.625 . . . . 62.44 111.812 177.118 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.89 -159.59 0.42 Allowed Glycine 0 C--N 1.336 0.568 0 C-N-CA 121.008 -0.615 . . . . 62.02 112.764 176.052 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.589 ' HA ' ' NE ' ' A' ' 15' ' ' ARG . 1.5 mmp_? -47.76 -49.42 28.5 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 116.64 0.22 . . . . 73.04 111.277 -179.367 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.571 ' HB3' ' HA ' ' A' ' 31' ' ' SER . 33.8 t70 -125.74 -42.78 1.9 Allowed 'General case' 0 CA--C 1.518 -0.269 0 N-CA-C 109.111 -0.7 . . . . 74.22 109.111 171.841 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -163.62 158.5 30.99 Favored Glycine 0 N--CA 1.446 -0.653 0 C-N-CA 120.271 -0.966 . . . . 73.12 112.192 167.325 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.466 ' HA ' ' HA ' ' A' ' 29' ' ' LYS . 24.8 ttt85 -133.92 152.99 52.06 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 108.862 -0.792 . . . . 73.24 108.862 172.846 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.412 ' HB2' ' HB2' ' B' ' 56' ' ' ALA . . . -146.19 124.29 12.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.767 0.318 . . . . 71.12 110.633 -176.818 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.439 HG23 ' HB2' ' A' ' 27' ' ' ASP . 25.5 m -133.71 114.17 13.14 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.971 -0.559 . . . . 63.53 110.248 -177.289 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.525 ' CB ' ' HB3' ' A' ' 26' ' ' LEU . 18.0 t -74.64 115.46 14.23 Favored 'General case' 0 C--O 1.249 1.055 0 N-CA-C 107.36 -1.348 . . . . 62.3 107.36 175.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 78.1 t60 -63.0 -19.6 64.51 Favored 'General case' 0 C--N 1.351 0.649 0 O-C-N 126.383 2.302 . . . . 71.44 113.021 -163.408 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.416 ' OD1' ' HE3' ' A' ' 25' ' ' LYS . 9.4 p30 -80.43 13.21 2.55 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.637 0.732 . . . . 73.43 109.253 174.229 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 30.2 mm-40 69.88 20.15 6.79 Favored 'General case' 0 CA--C 1.515 -0.367 0 CA-C-N 114.283 -1.326 . . . . 72.53 111.417 172.238 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.435 ' HD2' ' OE1' ' B' ' 48' ' ' GLN . 14.2 ptpt -91.79 -13.23 31.84 Favored 'General case' 0 N--CA 1.451 -0.42 0 C-N-CA 120.331 -0.548 . . . . 73.44 110.415 176.834 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.525 ' HB3' ' CB ' ' A' ' 21' ' ' SER . 67.8 tp -141.9 142.55 33.07 Favored 'General case' 0 C--N 1.349 0.582 0 C-N-CA 119.081 -1.048 . . . . 74.42 110.631 175.42 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.439 ' HB2' HG23 ' A' ' 20' ' ' THR . 30.3 t70 -164.4 90.52 0.57 Allowed 'General case' 0 C--N 1.33 -0.25 0 O-C-N 123.635 0.585 . . . . 74.13 109.453 176.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.404 HG22 HD11 ' A' ' 26' ' ' LEU . 11.0 m -147.42 178.07 1.02 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.427 0 CA-C-N 115.852 -0.613 . . . . 62.12 111.608 -176.128 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.466 ' HA ' ' HA ' ' A' ' 18' ' ' ARG . 0.0 OUTLIER -118.61 151.45 37.9 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.157 -0.929 . . . . 62.42 110.485 178.108 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.656 ' HA ' ' H ' ' A' ' 44' ' ' THR . 0.0 OUTLIER -130.1 155.36 46.31 Favored 'General case' 0 C--O 1.257 1.498 0 N-CA-C 109.483 -0.562 . . . . 64.12 109.483 167.723 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.571 ' HA ' ' HB3' ' A' ' 16' ' ' ASP . 73.1 m -164.24 131.11 3.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.673 -0.694 . . . . 75.34 111.547 -175.44 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.461 ' HA ' ' HD3' ' A' ' 33' ' ' PRO . . . -72.87 133.66 81.92 Favored Pre-proline 0 C--O 1.241 0.632 0 CA-C-N 115.273 -0.876 . . . . 52.21 110.65 177.314 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.461 ' HD3' ' HA ' ' A' ' 32' ' ' ALA . 33.8 Cg_exo -60.31 148.48 90.02 Favored 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 122.909 2.406 . . . . 73.33 112.177 -179.083 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 6.6 mmt85 -69.76 -3.31 14.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.223 -0.444 . . . . 50.12 111.501 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.407 ' HB3' HD22 ' A' ' 36' ' ' LEU . 9.7 tp10 -57.71 -31.55 66.53 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-O 121.045 0.45 . . . . 75.14 110.408 175.389 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.496 HD22 ' N ' ' A' ' 36' ' ' LEU . 2.2 mm? -100.58 6.2 44.11 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 115.76 -0.655 . . . . 63.44 110.324 178.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 75.46 37.57 40.73 Favored Glycine 0 N--CA 1.451 -0.363 0 N-CA-C 111.386 -0.686 . . . . 72.22 111.386 -171.647 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -76.44 -123.2 0.18 Allowed Glycine 0 C--N 1.337 0.599 0 C-N-CA 121.44 -0.409 . . . . 73.44 113.231 -178.156 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -104.17 -38.85 6.74 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 120.874 0.369 . . . . 63.22 111.28 -173.488 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 99.79 66.65 0.84 Allowed Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 121.081 -0.581 . . . . 45.53 111.862 -178.244 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -167.89 137.29 2.58 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.944 -0.391 . . . . 44.21 109.944 -178.893 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -86.26 57.63 4.6 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.388 0.613 . . . . 71.23 111.061 -178.427 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -85.02 -141.01 5.31 Favored Glycine 0 C--N 1.331 0.27 0 N-CA-C 110.817 -0.913 . . . . 55.55 110.817 174.797 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.656 ' H ' ' HA ' ' A' ' 30' ' ' LEU . 4.4 p -111.35 151.96 27.83 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.042 -0.725 . . . . 74.01 109.042 175.217 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.69 ' HB2' ' HB3' ' A' ' 48' ' ' GLN . 66.7 m-20 -86.23 133.03 41.56 Favored Pre-proline 0 C--N 1.324 -0.506 0 N-CA-C 109.373 -0.602 . . . . 72.33 109.373 -178.033 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.408 ' HB2' ' SG ' ' B' ' 57' ' ' CYS . 18.5 Cg_endo -56.95 -53.15 5.36 Favored 'Trans proline' 0 C--N 1.35 0.625 0 C-N-CA 123.101 2.534 . . . . 63.04 113.242 -174.618 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.512 ' OE1' ' HB3' ' A' ' 45' ' ' ASN . 0.0 OUTLIER -69.3 -31.72 70.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.53 -0.305 . . . . 62.13 110.385 -179.222 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.69 ' HB3' ' HB2' ' A' ' 45' ' ' ASN . 0.8 OUTLIER -63.89 -37.53 87.72 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-O 121.111 0.481 . . . . 72.35 110.336 173.948 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.502 HD12 ' HA3' ' B' ' 53' ' ' GLY . 2.8 tm? -66.73 -52.67 41.71 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 115.746 -0.661 . . . . 71.11 109.307 179.312 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 54.0 t80 -59.26 -40.0 84.64 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.07 -0.514 . . . . 64.45 110.531 177.21 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.37 -52.92 62.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 52.03 110.847 178.586 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.62 -47.36 85.91 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-N 116.091 -0.504 . . . . 51.43 110.665 -179.589 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -58.83 -53.18 48.41 Favored Glycine 0 N--CA 1.45 -0.386 0 CA-C-N 115.685 -0.689 . . . . 45.35 112.294 179.039 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -62.16 -37.3 84.7 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 122.719 0.408 . . . . 71.4 110.441 -179.224 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 32.5 t -59.68 -53.16 61.21 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.102 0.477 . . . . 50.31 110.145 178.844 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.618 ' HB1' HD21 ' B' ' 30' ' ' LEU . . . -69.85 -35.41 74.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.886 -0.597 . . . . 72.41 111.041 -178.796 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.412 ' SG ' ' HB3' ' B' ' 46' ' ' PRO . 88.8 m -65.32 -36.28 83.58 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.126 -0.488 . . . . 74.4 110.018 177.771 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 33.2 t80 -62.11 -38.06 87.47 Favored 'General case' 0 C--O 1.233 0.232 0 N-CA-C 109.179 -0.675 . . . . 64.12 109.179 179.411 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 47.9 tp -66.08 -51.43 58.17 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 115.174 -0.921 . . . . 74.12 110.632 178.677 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.458 ' HA ' ' HG3' ' A' ' 63' ' ' LYS . 74.7 m -63.81 -34.97 79.1 Favored 'General case' 0 C--O 1.238 0.449 0 CA-C-O 120.705 0.288 . . . . 74.4 111.138 179.017 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -59.51 -46.47 88.75 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.266 -0.642 . . . . 64.15 109.266 174.647 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 83.6 mmm -64.53 -32.85 74.67 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.645 -0.707 . . . . 61.32 111.084 176.372 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.458 ' HG3' ' HA ' ' A' ' 60' ' ' SER . 24.2 mtmm -62.6 -41.27 98.87 Favored 'General case' 0 N--CA 1.465 0.309 0 N-CA-C 109.81 -0.441 . . . . 62.32 109.81 177.242 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 44.7 t80 -71.28 -47.86 54.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.208 -0.451 . . . . 70.35 110.385 177.272 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 41.0 t -52.76 -46.57 51.12 Favored 'Isoleucine or valine' 0 C--O 1.237 0.44 0 CA-C-O 121.122 0.487 . . . . 51.41 111.116 179.257 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.431 ' HB1' ' O ' ' A' ' 71' ' ' GLN . . . -56.83 -32.9 66.21 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.022 -0.535 . . . . 55.45 110.563 179.345 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -71.41 -28.2 70.11 Favored Glycine 0 CA--C 1.518 0.219 0 CA-C-N 115.642 -0.708 . . . . 65.01 112.717 -176.901 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -97.27 -14.91 21.06 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.32 0.581 . . . . 73.33 109.524 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.411 ' HB3' ' HG2' ' A' ' 71' ' ' GLN . 16.7 m-80 -93.42 -3.92 52.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.197 -0.91 . . . . 73.35 110.316 173.657 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 3.0 mptp? 59.39 23.37 11.88 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 115.547 -0.752 . . . . 70.5 111.496 177.169 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.431 ' O ' ' HB1' ' A' ' 66' ' ' ALA . 2.9 pt20 -108.55 162.19 14.36 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.14 -0.936 . . . . 65.11 109.373 176.364 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 17.0 p -124.78 131.46 53.45 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 116.495 -0.321 . . . . 71.13 110.625 -177.824 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -109.45 137.85 20.4 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-N 116.143 -0.48 . . . . 63.13 110.312 177.338 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 10.4 Cg_endo -56.43 132.89 54.57 Favored 'Trans proline' 0 C--N 1.348 0.523 0 C-N-CA 123.273 2.649 . . . . 75.32 112.935 179.431 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -76.93 1.82 16.54 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 121.206 0.527 . . . . 74.43 111.273 177.28 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -94.71 18.14 12.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.658 0.742 . . . . 72.44 110.219 -179.781 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.512 ' HB ' HD12 ' A' ' 103' ' ' LEU . 8.2 t -90.23 166.52 13.31 Favored 'General case' 0 C--O 1.238 0.456 0 CA-C-N 115.451 -0.795 . . . . 73.42 112.297 -176.407 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.516 HG22 ' HA ' ' B' ' 12' ' ' THR . 1.1 p -148.99 149.48 31.23 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 115.526 -0.761 . . . . 65.01 110.686 -179.714 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 92.6 t -131.55 125.36 56.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 N-CA-C 109.187 -0.671 . . . . 73.54 109.187 173.415 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.436 ' HB ' ' HB3' ' A' ' 100' ' ' ARG . 47.3 m -111.54 113.09 25.27 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 120.676 0.274 . . . . 61.0 110.579 -179.497 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -93.38 106.62 18.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.111 -0.495 . . . . 75.0 109.932 177.662 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.53 ' HA ' ' HA ' ' B' ' 8' ' ' ALA . 32.2 tt0 -107.75 107.85 18.8 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.22 -0.445 . . . . 74.0 109.865 -179.837 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.535 HG12 HG22 ' A' ' 97' ' ' VAL . 34.1 m -99.43 140.11 19.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.359 -0.382 . . . . 74.25 110.745 -177.054 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.411 ' O ' ' HA ' ' A' ' 95' ' ' LEU . . . -129.76 151.1 19.2 Favored Glycine 0 N--CA 1.444 -0.791 0 N-CA-C 111.389 -0.684 . . . . 64.22 111.389 174.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -131.84 128.16 59.56 Favored 'Isoleucine or valine' 0 C--O 1.244 0.774 0 N-CA-C 109.531 -0.544 . . . . 71.32 109.531 179.538 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -155.66 169.85 33.49 Favored Glycine 0 N--CA 1.454 -0.117 0 CA-C-N 115.047 -0.978 . . . . 64.2 111.51 178.764 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.686 ' HD3' ' HG ' ' B' ' 4' ' ' LEU . 3.0 Cg_exo -73.87 127.93 11.95 Favored 'Trans proline' 0 N--CA 1.461 -0.419 0 C-N-CA 122.656 2.237 . . . . 75.13 110.834 175.599 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' ASN . . . . . 0.452 ' HB3' ' HB2' ' A' ' 94' ' ' ALA . 38.7 p30 -91.86 170.36 9.94 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.102 0.477 . . . . 63.43 111.062 -179.116 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -67.55 -14.04 62.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.722 -0.672 . . . . 74.31 111.342 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -70.6 -26.62 63.59 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 116.349 -0.387 . . . . 62.35 110.224 176.5 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.17 19.72 11.3 Favored Glycine 0 C--N 1.331 0.258 0 CA-C-N 115.954 -0.566 . . . . 52.42 112.444 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' GLY . . . . . 0.452 ' O ' ' HA ' ' A' ' 87' ' ' PRO . . . -133.41 -152.56 6.87 Favored Glycine 0 C--N 1.328 0.138 0 N-CA-C 111.204 -0.758 . . . . 74.12 111.204 177.517 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 32.9 m-85 -98.05 156.39 16.67 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.847 -0.427 . . . . 72.25 109.847 178.724 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.452 ' HB2' ' HB3' ' A' ' 88' ' ' ASN . . . -147.73 136.78 22.18 Favored 'General case' 0 C--O 1.241 0.636 0 CA-C-N 116.41 -0.359 . . . . 73.43 110.727 179.01 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.462 HD11 ' HG2' ' A' ' 47' ' ' GLU . 4.4 mm? -103.25 115.44 30.56 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 115.121 -0.945 . . . . 75.45 109.643 175.639 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 34.5 t0 -109.88 110.48 21.46 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 108.705 -0.85 . . . . 62.1 108.705 179.358 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.643 ' HB ' HG22 ' A' ' 134' ' ' VAL . 56.4 t -112.21 110.65 32.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 N-CA-C 111.898 0.332 . . . . 41.42 111.898 -170.393 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -80.44 111.19 16.61 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 110.215 -0.291 . . . . 51.52 110.215 173.304 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 57.0 mt -93.8 106.93 18.87 Favored 'General case' 0 C--O 1.234 0.253 0 N-CA-C 109.132 -0.692 . . . . 73.33 109.132 173.521 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.614 ' HA ' ' O ' ' A' ' 137' ' ' VAL . 66.0 ttt180 -99.7 107.56 19.69 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.362 -0.835 . . . . 73.43 110.474 -174.409 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 48.3 t -103.17 102.04 13.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.465 -0.334 . . . . 72.23 110.692 -173.846 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -99.66 101.33 12.49 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.791 0.329 . . . . 73.1 110.31 178.748 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.865 HD23 HD22 ' A' ' 106' ' ' LEU . 35.8 tp -114.45 117.5 42.8 Favored Pre-proline 0 C--N 1.327 -0.378 0 N-CA-C 108.904 -0.776 . . . . 73.31 108.904 179.41 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 104' ' ' PRO . . . . . 0.533 ' HD2' HD12 ' A' ' 103' ' ' LEU . 57.5 Cg_endo -73.51 148.62 42.9 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.266 1.977 . . . . 73.52 112.273 -175.895 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 74.32 15.05 80.33 Favored Glycine 0 N--CA 1.45 -0.37 0 CA-C-N 115.662 -0.699 . . . . 54.45 112.118 -177.92 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.865 HD22 HD23 ' A' ' 103' ' ' LEU . 30.5 tp -124.91 140.07 53.26 Favored 'General case' 0 C--O 1.236 0.359 0 C-N-CA 122.825 0.45 . . . . 65.03 110.698 -176.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 107' ' ' ASP . . . . . 0.425 ' HB3' ' H ' ' A' ' 110' ' ' ALA . 2.0 t70 -75.64 163.34 27.42 Favored 'General case' 0 CA--C 1.512 -0.486 0 CA-C-N 115.992 -0.549 . . . . 72.42 110.611 178.328 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.445 ' O ' ' HG3' ' A' ' 112' ' ' LYS . . . -68.85 -45.07 72.03 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.37 -0.832 . . . . 74.35 109.886 169.714 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -61.49 -44.65 96.7 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-N 115.392 -0.822 . . . . 64.13 110.771 -176.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 0.483 ' O ' HG22 ' A' ' 113' ' ' THR . . . -72.74 -42.25 64.28 Favored 'General case' 0 C--O 1.237 0.434 0 CA-C-N 115.958 -0.564 . . . . 73.25 110.298 178.502 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -54.63 -38.91 67.41 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 115.969 -0.559 . . . . 54.13 110.864 178.302 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 112' ' ' LYS . . . . . 0.445 ' HG3' ' O ' ' A' ' 108' ' ' ALA . 10.4 mtpm? -51.88 -45.15 64.04 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.273 -0.421 . . . . 74.23 111.247 177.879 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 113' ' ' THR . . . . . 0.483 HG22 ' O ' ' A' ' 110' ' ' ALA . 1.1 t -78.56 -37.23 43.23 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 120.958 -0.297 . . . . 74.22 110.517 -176.61 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 50.8 mt -64.07 -47.77 78.81 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 116.458 -0.337 . . . . 61.01 110.572 -178.83 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.49 HG21 HG12 ' A' ' 138' ' ' VAL . 93.3 t -64.36 -36.77 78.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.304 -0.407 . . . . 72.22 110.101 177.805 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -57.97 -58.38 8.67 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 121.026 0.441 . . . . 63.5 110.745 179.679 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 117' ' ' ARG . . . . . 0.472 ' HG2' ' O ' ' A' ' 113' ' ' THR . 9.2 ptm180 -64.98 -40.88 95.64 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-N 115.844 -0.616 . . . . 65.24 110.8 -177.225 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 118' ' ' ALA . . . . . 0.421 ' HA ' HG22 ' A' ' 121' ' ' VAL . . . -61.22 -35.93 78.55 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.05 -0.523 . . . . 63.41 110.302 177.448 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 119' ' ' HIS . . . . . 0.477 ' O ' ' HB3' ' A' ' 125' ' ' SER . 41.9 t-80 -80.44 8.09 8.4 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 115.704 -0.68 . . . . 74.13 110.55 178.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 22.0 m-70 -108.86 -47.51 3.44 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.139 -0.482 . . . . 75.14 110.4 171.41 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.421 HG22 ' HA ' ' A' ' 118' ' ' ALA . 33.7 m -67.8 -34.75 69.43 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.419 0 N-CA-C 112.615 0.598 . . . . 74.54 112.615 -173.459 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 80.4 m -68.14 129.08 93.17 Favored Pre-proline 0 CA--C 1.535 0.397 0 N-CA-C 110.371 -0.233 . . . . 72.12 110.371 179.698 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -58.76 -38.57 88.2 Favored 'Trans proline' 0 C--N 1.352 0.741 0 C-N-CA 122.779 2.32 . . . . 74.45 112.942 -174.878 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 28.2 m-85 -64.28 -18.44 64.58 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 116.399 -0.364 . . . . 65.44 110.986 -178.095 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 125' ' ' SER . . . . . 0.635 ' HA ' HG22 ' A' ' 128' ' ' THR . 19.4 m -63.25 -37.26 86.53 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.113 -0.494 . . . . 62.44 112.302 -172.831 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 56.2 t30 -59.53 -46.55 88.54 Favored 'General case' 0 C--O 1.239 0.535 0 CA-C-O 121.298 0.57 . . . . 73.42 110.322 -176.239 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 127' ' ' ALA . . . . . 0.591 ' O ' ' HB3' ' A' ' 131' ' ' ASN . . . -68.4 -17.61 64.26 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.35 -0.841 . . . . 54.1 111.539 179.817 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 128' ' ' THR . . . . . 0.635 HG22 ' HA ' ' A' ' 125' ' ' SER . 0.8 OUTLIER -108.32 9.55 27.83 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.346 0.593 . . . . 73.21 109.924 -170.504 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 129' ' ' ARG . . . . . 0.404 HH11 ' HD3' ' A' ' 129' ' ' ARG . 3.7 ptm180 -125.55 -55.79 1.52 Allowed 'General case' 0 C--O 1.232 0.164 0 CA-C-N 115.832 -0.622 . . . . 72.04 110.658 178.647 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -78.76 -42.0 29.17 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.281 0.562 . . . . 71.52 110.534 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 131' ' ' ASN . . . . . 0.591 ' HB3' ' O ' ' A' ' 127' ' ' ALA . 2.5 t-20 -86.23 -43.09 13.25 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.532 -0.758 . . . . 72.12 111.04 -176.078 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 132' ' ' VAL . . . . . 0.568 ' HB ' ' HA ' ' A' ' 128' ' ' THR . 61.7 t -117.44 148.43 20.21 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.251 0 CA-C-N 116.545 -0.298 . . . . 70.22 110.73 -173.724 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -89.71 103.35 16.01 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.191 0.52 . . . . 45.42 110.576 -179.635 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 134' ' ' VAL . . . . . 0.643 HG22 ' HB ' ' A' ' 97' ' ' VAL . 71.5 t -116.67 124.1 72.39 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 115.824 -0.626 . . . . 75.02 111.028 177.678 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 3.1 tpp180 -90.26 117.39 28.97 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.405 -0.816 . . . . 72.41 109.388 178.138 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.412 HD23 ' HA ' ' A' ' 136' ' ' LEU . 50.7 mt -87.41 109.49 19.6 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.274 0.559 . . . . 50.04 111.169 -178.788 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 137' ' ' VAL . . . . . 0.614 ' O ' ' HA ' ' A' ' 100' ' ' ARG . 0.2 OUTLIER -115.07 114.0 45.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.221 -0.899 . . . . 74.42 110.077 179.846 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 138' ' ' VAL . . . . . 0.49 HG12 HG21 ' A' ' 115' ' ' VAL . 3.6 m -94.01 138.87 19.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.8 -0.636 . . . . 53.11 109.896 -179.022 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.314 -0.939 0 CA-C-N 115.83 -0.623 . . . . 73.13 111.135 -175.195 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 28.1 ptm . . . . . 0 C--O 1.234 0.252 0 CA-C-O 120.717 0.294 . . . . 72.42 110.769 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 56.6 t30 -99.44 84.78 3.04 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.045 -0.525 . . . . 61.35 109.791 179.117 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 3' ' ' ILE . . . . . 0.524 HG21 ' HB2' ' B' ' 6' ' ' LYS . 28.5 mm -70.39 122.89 23.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.933 -0.576 . . . . 72.42 111.321 179.554 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.686 ' HG ' ' HD3' ' A' ' 87' ' ' PRO . 88.2 mt -79.59 -45.94 18.21 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.621 -0.718 . . . . 75.25 109.744 176.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 5' ' ' TYR . . . . . . . . . . . . . 23.7 t80 -137.48 132.68 33.67 Favored 'General case' 0 CA--C 1.517 -0.318 0 CA-C-N 115.834 -0.621 . . . . 75.45 109.774 -177.456 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 6' ' ' LYS . . . . . 0.524 ' HB2' HG21 ' B' ' 3' ' ' ILE . 37.9 ttmt -136.36 135.93 39.24 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.903 0.382 . . . . 65.01 110.661 177.601 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 5.1 t -133.68 139.48 46.45 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.953 -0.567 . . . . 72.52 109.871 179.076 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 8' ' ' ALA . . . . . 0.53 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . . . -110.25 143.92 39.7 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.077 -0.51 . . . . 64.22 110.268 -177.614 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 9' ' ' ALA . . . . . 0.456 ' HA ' ' H ' ' B' ' 22' ' ' HIS . . . -132.75 119.6 20.54 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.947 0.403 . . . . 31.45 110.353 177.236 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 89.8 m -91.38 123.94 35.19 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.842 -0.617 . . . . 64.31 110.682 -177.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 43.1 t -111.69 113.65 26.15 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.855 -0.611 . . . . 74.14 109.667 178.352 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 12' ' ' THR . . . . . 0.516 ' HA ' HG22 ' A' ' 78' ' ' THR . 4.4 m -102.0 158.32 16.23 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.701 0.286 . . . . 53.42 110.67 179.574 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -81.18 73.19 2.62 Favored Glycine 0 N--CA 1.45 -0.405 0 N-CA-C 111.254 -0.738 . . . . 71.12 111.254 174.042 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -63.6 -106.93 0.01 OUTLIER Glycine 0 C--N 1.336 0.533 0 C-N-CA 121.218 -0.515 . . . . 73.4 112.621 -179.585 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 15' ' ' ARG . . . . . 0.484 ' CG ' ' HB2' ' B' ' 41' ' ' ALA . 6.0 tpm_? -88.85 -52.67 4.99 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.309 -0.626 . . . . 65.14 109.309 174.028 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 16' ' ' ASP . . . . . 0.478 ' HB3' ' HA ' ' B' ' 31' ' ' SER . 25.1 t70 -125.73 -42.76 1.9 Allowed 'General case' 0 C--O 1.236 0.365 0 CA-C-N 116.155 -0.475 . . . . 65.33 109.851 169.172 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -156.24 143.14 9.41 Favored Glycine 0 N--CA 1.446 -0.695 0 C-N-CA 120.138 -1.03 . . . . 74.22 112.222 168.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 18' ' ' ARG . . . . . 0.407 ' HD3' ' HB ' ' B' ' 12' ' ' THR . 41.7 ttt180 -117.11 150.89 37.93 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 108.646 -0.872 . . . . 74.4 108.646 175.166 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -144.44 123.54 12.88 Favored 'General case' 0 C--N 1.317 -0.826 0 N-CA-C 109.302 -0.629 . . . . 64.21 109.302 179.495 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 20' ' ' THR . . . . . 0.468 ' HA ' ' O ' ' B' ' 26' ' ' LEU . 28.0 m -141.12 110.93 6.5 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 116.419 -0.355 . . . . 75.11 110.183 -177.719 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 21' ' ' SER . . . . . 0.615 ' HB2' ' HB3' ' B' ' 26' ' ' LEU . 9.3 t -65.87 107.95 2.0 Allowed 'General case' 0 C--O 1.251 1.154 0 N-CA-C 106.563 -1.644 . . . . 74.21 106.563 176.57 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 22' ' ' HIS . . . . . 0.456 ' H ' ' HA ' ' B' ' 9' ' ' ALA . 23.4 t60 -58.73 -21.49 55.28 Favored 'General case' 0 N--CA 1.466 0.351 0 O-C-N 126.77 2.544 . . . . 73.12 112.723 -163.349 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 23' ' ' ASP . . . . . 0.487 ' OD2' ' HE3' ' B' ' 25' ' ' LYS . 32.6 p30 -80.5 18.37 0.94 Allowed 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.457 0.646 . . . . 63.54 110.029 177.228 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 34.5 mm-40 72.05 23.01 3.55 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 114.637 -1.165 . . . . 71.43 112.035 170.238 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 25' ' ' LYS . . . . . 0.487 ' HE3' ' OD2' ' B' ' 23' ' ' ASP . 16.8 ptpt -98.54 -26.14 14.52 Favored 'General case' 0 C--O 1.235 0.294 0 C-N-CA 120.492 -0.483 . . . . 41.25 111.601 178.074 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 26' ' ' LEU . . . . . 0.615 ' HB3' ' HB2' ' B' ' 21' ' ' SER . 60.7 tp -134.15 138.92 45.53 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 118.882 -1.127 . . . . 71.52 112.327 -176.68 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -150.86 92.66 1.85 Allowed 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 115.004 -0.998 . . . . 53.33 110.595 -177.7 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 3.3 m -140.79 178.09 3.34 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.497 0 CA-C-O 121.375 0.607 . . . . 74.12 111.944 -179.474 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 29' ' ' LYS . . . . . 0.491 ' NZ ' ' HB3' ' B' ' 29' ' ' LYS . 1.2 ttpm? -134.24 146.28 49.94 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 115.13 -0.941 . . . . 64.31 110.362 179.656 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 30' ' ' LEU . . . . . 0.872 ' HA ' ' H ' ' B' ' 44' ' ' THR . 0.0 OUTLIER -129.3 169.89 14.3 Favored 'General case' 0 C--O 1.252 1.19 0 N-CA-C 109.669 -0.493 . . . . 72.32 109.669 173.046 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 31' ' ' SER . . . . . 0.478 ' HA ' ' HB3' ' B' ' 16' ' ' ASP . 15.7 p -168.33 149.09 4.86 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 115.934 -0.576 . . . . 62.35 112.004 -171.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 32' ' ' ALA . . . . . 0.411 ' HA ' ' HD3' ' B' ' 33' ' ' PRO . . . -58.68 130.19 85.24 Favored Pre-proline 0 C--O 1.237 0.42 0 CA-C-N 115.453 -0.794 . . . . 75.13 110.062 172.721 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 33' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' B' ' 32' ' ' ALA . 75.4 Cg_exo -50.18 105.72 0.11 Allowed 'Trans proline' 0 C--N 1.35 0.657 0 C-N-CA 123.332 2.688 . . . . 71.3 113.618 -174.631 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 34' ' ' ARG . . . . . 0.425 ' HD2' ' H ' ' B' ' 39' ' ' ALA . 9.8 mmm180 -59.14 -14.27 9.78 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 115.808 -0.633 . . . . 71.43 110.698 172.596 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 35' ' ' GLU . . . . . 0.619 ' HG2' ' HE2' ' A' ' 5' ' ' TYR . 1.0 OUTLIER -49.5 -46.08 47.87 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 115.742 -0.663 . . . . 72.42 110.763 172.848 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.528 HD11 ' HB2' ' A' ' 5' ' ' TYR . 67.2 mt -100.47 16.09 25.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.635 -0.711 . . . . 63.52 109.96 -179.601 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 72.32 44.05 44.15 Favored Glycine 0 N--CA 1.449 -0.488 0 CA-C-N 115.792 -0.64 . . . . 51.22 111.542 -175.077 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 38' ' ' GLY . . . . . 0.485 ' O ' ' HB3' ' B' ' 39' ' ' ALA . . . -59.9 -25.88 62.27 Favored Glycine 0 C--N 1.335 0.499 0 C-N-CA 121.182 -0.532 . . . . 64.12 112.466 -177.24 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 39' ' ' ALA . . . . . 0.485 ' HB3' ' O ' ' B' ' 38' ' ' GLY . . . 77.44 6.07 3.01 Favored 'General case' 0 CA--C 1.503 -0.857 0 CA-C-O 122.671 1.224 . . . . 71.25 108.893 175.161 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -75.17 -96.46 0.13 Allowed Glycine 0 N--CA 1.415 -2.708 0 CA-C-N 112.169 -2.287 . . . . 53.13 112.581 179.783 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 41' ' ' ALA . . . . . 0.484 ' HB2' ' CG ' ' B' ' 15' ' ' ARG . . . -172.4 -171.85 0.86 Allowed 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 122.627 0.371 . . . . 45.11 110.23 -176.709 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -107.6 55.22 0.65 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.621 0.724 . . . . 74.14 109.39 178.431 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -101.26 -116.75 4.1 Favored Glycine 0 CA--C 1.519 0.283 0 CA-C-N 114.547 -1.206 . . . . 72.12 112.019 179.406 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 44' ' ' THR . . . . . 0.872 ' H ' ' HA ' ' B' ' 30' ' ' LEU . 32.7 m -125.09 147.22 49.09 Favored 'General case' 0 N--CA 1.453 -0.286 0 N-CA-C 109.447 -0.575 . . . . 35.03 109.447 179.044 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 45' ' ' ASN . . . . . 0.46 ' HA ' ' HD3' ' B' ' 46' ' ' PRO . 1.6 m-20 -81.52 135.32 49.91 Favored Pre-proline 0 C--N 1.328 -0.356 0 N-CA-C 109.922 -0.399 . . . . 71.14 109.922 -178.55 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 46' ' ' PRO . . . . . 0.46 ' HD3' ' HA ' ' B' ' 45' ' ' ASN . 40.8 Cg_exo -57.78 -56.11 1.92 Allowed 'Trans proline' 0 C--N 1.352 0.739 0 C-N-CA 123.268 2.645 . . . . 54.41 113.64 -174.251 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 47' ' ' GLU . . . . . 0.48 ' HB2' HG21 ' B' ' 83' ' ' VAL . 0.0 OUTLIER -68.57 -31.39 70.57 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-O 121.148 0.499 . . . . 73.03 109.933 -176.552 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 48' ' ' GLN . . . . . 0.435 ' OE1' ' HD2' ' A' ' 25' ' ' LYS . 62.1 tt0 -64.81 -40.65 95.55 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.26 -0.882 . . . . 65.22 110.019 175.594 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -64.31 -48.91 73.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.478 -0.783 . . . . 73.15 109.599 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 39.5 t80 -59.44 -45.89 90.29 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 116.379 -0.373 . . . . 74.53 110.558 177.535 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.91 -52.97 63.09 Favored 'General case' 0 C--O 1.237 0.423 0 CA-C-O 120.785 0.326 . . . . 63.22 111.339 -178.836 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.65 -52.32 66.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.077 -0.51 . . . . 74.31 111.035 179.666 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 53' ' ' GLY . . . . . 0.502 ' HA3' HD12 ' A' ' 49' ' ' LEU . . . -61.55 -38.26 95.53 Favored Glycine 0 C--N 1.331 0.267 0 C-N-CA 121.111 -0.566 . . . . 73.22 112.42 -178.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 54' ' ' TYR . . . . . 0.4 ' OH ' HG21 ' B' ' 128' ' ' THR . 2.8 t80 -65.3 -51.67 59.18 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 122.626 0.37 . . . . 73.14 110.664 179.529 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 55' ' ' SER . . . . . 0.567 ' HB3' ' HB2' ' B' ' 81' ' ' ALA . 19.1 p -58.65 -47.82 83.14 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.887 0.375 . . . . 71.55 110.477 -179.218 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 56' ' ' ALA . . . . . 0.482 ' HB1' HD11 ' A' ' 30' ' ' LEU . . . -61.63 -40.76 96.03 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 115.916 -0.584 . . . . 72.32 110.906 177.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 57' ' ' CYS . . . . . 0.408 ' SG ' ' HB2' ' A' ' 46' ' ' PRO . 52.5 t -65.32 -36.39 83.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.043 -0.526 . . . . 72.4 110.009 178.654 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 42.3 t80 -69.05 -30.33 68.66 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 115.756 -0.656 . . . . 52.32 109.885 -176.845 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -61.74 -52.31 64.78 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-N 115.51 -0.768 . . . . 64.41 109.036 177.001 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 60' ' ' SER . . . . . 0.465 ' O ' ' HB2' ' B' ' 63' ' ' LYS . 46.7 t -61.12 -42.12 97.96 Favored 'General case' 0 C--O 1.242 0.692 0 CA-C-O 121.352 0.596 . . . . 73.23 110.132 177.258 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 61' ' ' ALA . . . . . 0.506 ' O ' HG23 ' B' ' 65' ' ' VAL . . . -54.37 -45.72 72.85 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.783 -0.644 . . . . 44.1 110.242 177.067 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 62' ' ' MET . . . . . 0.495 ' HA ' ' HB ' ' B' ' 65' ' ' VAL . 19.7 mtp -71.76 -25.1 61.9 Favored 'General case' 0 N--CA 1.461 0.097 0 CA-C-N 116.436 -0.347 . . . . 71.0 111.344 179.352 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 63' ' ' LYS . . . . . 0.465 ' HB2' ' O ' ' B' ' 60' ' ' SER . 72.3 mmtt -60.72 -47.89 84.25 Favored 'General case' 0 C--O 1.233 0.217 0 N-CA-C 109.022 -0.733 . . . . 72.03 109.022 172.868 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 29.1 t80 -68.32 -44.77 74.64 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 115.792 -0.64 . . . . 73.11 110.897 176.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 65' ' ' VAL . . . . . 0.506 HG23 ' O ' ' B' ' 61' ' ' ALA . 46.4 t -56.36 -50.74 70.49 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.208 0 CA-C-O 120.849 0.357 . . . . 75.05 110.783 -179.602 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -56.43 -32.8 65.23 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.285 -0.416 . . . . 74.13 110.463 179.703 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -69.51 -35.87 76.0 Favored Glycine 0 N--CA 1.452 -0.291 0 CA-C-N 115.661 -0.699 . . . . 75.04 112.209 -178.474 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -91.5 -13.66 31.8 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.381 0.61 . . . . 64.5 109.394 -176.8 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 15.9 m-80 -95.29 2.27 54.73 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.104 -0.953 . . . . 65.21 110.744 176.237 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 2.5 mptp? 60.88 26.05 15.95 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 115.795 -0.639 . . . . 73.12 111.492 175.029 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -117.78 165.55 13.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.711 -0.677 . . . . 74.24 110.101 179.576 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 34.5 p -120.78 141.33 50.61 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.402 -0.363 . . . . 74.12 110.561 179.331 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 73' ' ' LEU . . . . . 0.431 ' HA ' ' HD3' ' B' ' 74' ' ' PRO . 96.9 mt -109.39 137.65 20.32 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-N 116.222 -0.445 . . . . 75.15 110.003 177.307 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 74' ' ' PRO . . . . . 0.511 ' HD2' HD11 ' B' ' 103' ' ' LEU . 39.7 Cg_exo -62.56 151.81 81.14 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.728 2.285 . . . . 62.01 111.98 177.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -77.13 -24.0 51.68 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.35 0.595 . . . . 71.53 111.324 -179.03 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -82.76 23.47 0.81 Allowed 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.171 -0.922 . . . . 60.22 111.874 -173.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 77' ' ' THR . . . . . . . . . . . . . 7.9 t -94.94 159.94 14.8 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.088 0.471 . . . . 73.25 111.78 -175.791 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 25.6 m -154.54 150.84 28.19 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 115.886 -0.597 . . . . 71.23 109.725 -178.453 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 73.5 t -125.17 117.93 51.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 N-CA-C 109.995 -0.372 . . . . 54.24 109.995 175.244 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 21.2 m -101.58 110.49 22.49 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 120.949 0.404 . . . . 72.42 110.44 -179.3 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 81' ' ' ALA . . . . . 0.567 ' HB2' ' HB3' ' B' ' 55' ' ' SER . . . -94.24 107.58 19.51 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.796 -0.638 . . . . 73.43 110.854 -179.042 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 82' ' ' GLU . . . . . 0.612 ' HB3' ' HB3' ' B' ' 98' ' ' GLU . 35.2 tt0 -90.8 139.95 30.26 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.17 -0.678 . . . . 71.23 109.17 172.789 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 83' ' ' VAL . . . . . 0.48 HG21 ' HB2' ' B' ' 47' ' ' GLU . 9.0 p -142.42 136.64 28.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-O 120.811 0.339 . . . . 71.44 110.211 179.736 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 84' ' ' GLY . . . . . 0.424 ' HA2' ' HA ' ' A' ' 6' ' ' LYS . . . -140.57 165.53 26.09 Favored Glycine 0 N--CA 1.447 -0.594 0 N-CA-C 111.807 -0.517 . . . . 52.45 111.807 178.887 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -145.05 131.21 14.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 N-CA-C 109.546 -0.539 . . . . 73.1 109.546 -178.144 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 86' ' ' GLY . . . . . 0.435 ' HA2' ' HG ' ' A' ' 4' ' ' LEU . . . -155.63 169.63 33.46 Favored Glycine 0 N--CA 1.452 -0.256 0 CA-C-N 115.477 -0.783 . . . . 52.3 111.237 177.896 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 87' ' ' PRO . . . . . 0.748 ' HD3' ' HG ' ' A' ' 4' ' ' LEU . 5.4 Cg_exo -79.22 124.17 5.87 Favored 'Trans proline' 0 N--CA 1.458 -0.61 0 C-N-CA 122.736 2.291 . . . . 61.3 110.959 176.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 88' ' ' ASN . . . . . . . . . . . . . 36.5 p30 -76.45 167.4 21.91 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.433 -0.348 . . . . 72.3 110.393 178.792 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -66.65 -15.74 63.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 65.22 111.426 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -78.35 -21.21 49.84 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-N 115.8 -0.636 . . . . 74.05 111.52 -177.456 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.2 35.14 3.47 Favored Glycine 0 CA--C 1.517 0.163 0 CA-C-N 116.212 -0.449 . . . . 72.2 112.711 177.408 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 92' ' ' GLY . . . . . 0.479 ' O ' ' HA ' ' B' ' 87' ' ' PRO . . . -146.07 -166.75 12.21 Favored Glycine 0 N--CA 1.452 -0.27 0 N-CA-C 111.086 -0.806 . . . . 70.13 111.086 177.288 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 93' ' ' PHE . . . . . . . . . . . . . 54.0 m-85 -97.72 149.3 22.45 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.612 -0.514 . . . . 73.12 109.612 178.832 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 94' ' ' ALA . . . . . 0.458 ' O ' ' HE1' ' A' ' 1' ' ' MET . . . -144.5 140.36 28.83 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.441 -0.345 . . . . 62.21 110.136 -177.146 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -100.09 127.93 46.26 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.676 -0.693 . . . . 74.21 109.932 179.171 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 96' ' ' ASP . . . . . 0.591 ' HB2' ' SD ' ' A' ' 1' ' ' MET . 18.4 t70 -109.88 110.2 21.08 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 108.317 -0.994 . . . . 73.53 108.317 177.447 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 97' ' ' VAL . . . . . 0.805 ' HB ' HG22 ' B' ' 134' ' ' VAL . 47.3 t -116.94 146.52 21.25 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 CA-C-N 116.217 -0.447 . . . . 65.34 110.616 -174.411 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 98' ' ' GLU . . . . . 0.612 ' HB3' ' HB3' ' B' ' 82' ' ' GLU . 34.3 tt0 -139.98 109.0 6.03 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.114 -0.493 . . . . 74.42 109.72 -178.621 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 96.0 mt -96.91 110.8 23.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.489 -0.323 . . . . 61.12 110.322 -178.191 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 100' ' ' ARG . . . . . 0.448 ' HA ' ' O ' ' B' ' 137' ' ' VAL . 97.4 mtt180 -99.37 118.15 35.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.105 -0.498 . . . . 64.11 110.012 -178.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 101' ' ' VAL . . . . . 0.406 HG21 HG22 ' B' ' 115' ' ' VAL . 92.3 t -100.81 100.23 9.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 116.113 -0.494 . . . . 60.12 110.16 -177.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 102' ' ' ALA . . . . . 0.473 ' HA ' ' HB3' ' B' ' 139' ' ' ALA . . . -91.82 101.23 13.82 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 108.951 -0.759 . . . . 53.32 108.951 177.013 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 103' ' ' LEU . . . . . 0.55 HD12 ' HD2' ' B' ' 104' ' ' PRO . 14.5 tp -124.19 106.74 30.62 Favored Pre-proline 0 C--N 1.325 -0.495 0 N-CA-C 108.924 -0.769 . . . . 72.24 108.924 -176.258 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 104' ' ' PRO . . . . . 0.55 ' HD2' HD12 ' B' ' 103' ' ' LEU . 69.5 Cg_endo -72.88 153.65 53.14 Favored 'Trans proline' 0 C--N 1.347 0.488 0 C-N-CA 123.199 2.599 . . . . 74.24 112.969 -173.222 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 105' ' ' GLY . . . . . . . . . . . . . . . 72.36 15.25 77.1 Favored Glycine 0 C--N 1.331 0.252 0 CA-C-N 116.008 -0.542 . . . . 72.34 112.469 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 106' ' ' LEU . . . . . 0.535 HD22 HD23 ' B' ' 103' ' ' LEU . 21.8 tp -130.98 144.23 51.32 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 122.794 0.438 . . . . 60.53 110.631 -174.433 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 107' ' ' ASP . . . . . 0.404 ' O ' ' HB2' ' B' ' 111' ' ' ALA . 2.0 t70 -74.82 163.26 27.86 Favored 'General case' 0 CA--C 1.511 -0.548 0 CA-C-O 120.844 0.354 . . . . 63.12 110.784 178.437 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 108' ' ' ALA . . . . . 0.512 ' O ' ' HG3' ' B' ' 112' ' ' LYS . . . -68.55 -45.32 72.46 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.298 -0.865 . . . . 34.32 110.023 170.411 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 109' ' ' ALA . . . . . 0.427 ' HA ' ' HE2' ' B' ' 112' ' ' LYS . . . -60.45 -49.54 77.16 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.67 -0.695 . . . . 64.51 110.469 -176.509 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 110' ' ' ALA . . . . . 0.516 ' O ' ' HG ' ' B' ' 114' ' ' LEU . . . -69.34 -41.61 76.41 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.516 -0.765 . . . . 72.03 110.096 179.147 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 111' ' ' ALA . . . . . 0.51 ' HA ' HD21 ' B' ' 106' ' ' LEU . . . -54.91 -41.68 71.25 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 115.96 -0.564 . . . . 64.14 111.292 179.631 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 112' ' ' LYS . . . . . 0.512 ' HG3' ' O ' ' B' ' 108' ' ' ALA . 49.2 mtmt -54.24 -49.48 69.38 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.797 0.332 . . . . 74.45 111.122 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 113' ' ' THR . . . . . 0.48 HG22 ' O ' ' B' ' 110' ' ' ALA . 1.1 t -70.48 -34.2 72.11 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.237 -0.438 . . . . 72.03 110.463 -177.184 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 114' ' ' LEU . . . . . 0.516 ' HG ' ' O ' ' B' ' 110' ' ' ALA . 43.0 mt -66.17 -39.04 89.46 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 121.149 0.5 . . . . 70.23 109.913 177.433 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 115' ' ' VAL . . . . . 0.583 HG21 HG12 ' B' ' 138' ' ' VAL . 76.9 t -66.77 -37.79 80.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.695 -0.684 . . . . 63.55 110.065 175.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -58.82 -60.71 3.41 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.019 -0.537 . . . . 75.43 110.958 177.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 117' ' ' ARG . . . . . . . . . . . . . 14.2 ptm180 -62.28 -39.65 93.63 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 115.977 -0.556 . . . . 70.2 110.717 -177.651 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -60.33 -39.36 86.81 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.999 0.428 . . . . 61.11 110.204 176.232 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 59.2 m80 -88.99 10.76 20.35 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 115.977 -0.556 . . . . 74.31 111.227 178.582 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 10.1 t60 -108.49 -40.22 5.18 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.17 -0.468 . . . . 61.52 110.034 179.046 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 34.8 m -86.47 -34.42 7.92 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.249 0 CA-C-N 116.079 -0.51 . . . . 63.42 112.113 -175.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 122' ' ' CYS . . . . . 0.443 ' HA ' ' HD3' ' B' ' 123' ' ' PRO . 60.8 m -77.95 135.1 63.4 Favored Pre-proline 0 CA--C 1.537 0.46 0 CA-C-O 120.531 0.205 . . . . 74.53 110.762 -177.735 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 123' ' ' PRO . . . . . 0.443 ' HD3' ' HA ' ' B' ' 122' ' ' CYS . 52.6 Cg_exo -54.2 -63.19 0.23 Allowed 'Trans proline' 0 C--N 1.349 0.604 0 C-N-CA 123.102 2.535 . . . . 65.25 112.904 -176.673 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 124' ' ' TYR . . . . . 0.472 ' O ' ' HB ' ' B' ' 128' ' ' THR . 28.6 m-85 . . . . . 0 N--CA 1.465 0.321 0 CA-C-N 116.136 -0.484 . . . . 65.35 111.406 -176.595 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 128' ' ' THR . . . . . 0.472 ' HB ' ' O ' ' B' ' 124' ' ' TYR . 1.2 t . . . . . 0 CA--C 1.517 -0.289 0 N-CA-C 109.479 -0.563 . . . . 55.14 109.479 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 129' ' ' ARG . . . . . . . . . . . . . 13.9 ptm180 -102.49 -45.36 5.09 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.634 -0.712 . . . . 75.21 109.35 -175.222 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 130' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -78.9 -28.38 43.98 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.182 -0.917 . . . . 74.14 111.432 -179.175 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 131' ' ' ASN . . . . . 0.425 HD22 ' C ' ' B' ' 131' ' ' ASN . 0.2 OUTLIER -102.81 -39.41 7.0 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 116.146 -0.479 . . . . 75.43 110.78 -174.67 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 132' ' ' VAL . . . . . 0.406 HG12 ' N ' ' B' ' 133' ' ' ALA . 34.1 t -115.35 157.91 15.89 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 CA-C-O 120.941 0.4 . . . . 52.13 111.186 -172.048 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 133' ' ' ALA . . . . . 0.406 ' N ' HG12 ' B' ' 132' ' ' VAL . . . -84.44 90.32 7.58 Favored 'General case' 0 C--O 1.241 0.63 0 CA-C-O 121.655 0.741 . . . . 72.23 110.449 178.844 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 134' ' ' VAL . . . . . 0.805 HG22 ' HB ' ' B' ' 97' ' ' VAL . 59.1 t -127.74 122.97 60.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 114.846 -1.07 . . . . 61.1 110.958 -176.806 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 135' ' ' ARG . . . . . 0.415 HH12 ' CG ' ' B' ' 96' ' ' ASP . 87.5 mtm-85 -84.87 119.52 25.43 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.31 -0.404 . . . . 74.32 110.075 175.009 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 73.9 mt -85.86 104.65 15.72 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-O 121.182 0.515 . . . . 72.41 109.785 174.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 137' ' ' VAL . . . . . 0.448 ' O ' ' HA ' ' B' ' 100' ' ' ARG . 0.1 OUTLIER -115.95 127.85 73.41 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-N 114.825 -1.08 . . . . 72.22 109.778 -176.511 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 138' ' ' VAL . . . . . 0.583 HG12 HG21 ' B' ' 115' ' ' VAL . 3.6 m -100.38 138.27 25.23 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 N-CA-C 109.478 -0.564 . . . . 70.52 109.478 -178.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 139' ' ' ALA . . . . . 0.473 ' HB3' ' HA ' ' B' ' 102' ' ' ALA . . . . . . . . 0 C--O 1.25 1.101 0 CA-C-O 118.578 -0.725 . . . . 71.35 110.67 -172.494 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.5 ptt? . . . . . 0 N--CA 1.483 1.177 0 CA-C-O 120.726 0.298 . . . . 71.43 110.293 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 41.7 t30 -69.8 76.54 0.45 Allowed 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 116.089 -0.505 . . . . 75.52 110.868 176.644 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.445 HG21 ' HB2' ' A' ' 6' ' ' LYS . 30.8 mm -73.82 133.96 30.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 116.031 -0.532 . . . . 51.02 111.235 174.928 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.64 ' HG ' ' HD3' ' B' ' 87' ' ' PRO . 89.6 mt -89.85 -49.5 6.58 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.58 -0.737 . . . . 74.21 109.848 174.263 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 42.1 t80 -131.99 131.48 42.6 Favored 'General case' 0 CA--C 1.517 -0.293 0 CA-C-N 115.903 -0.589 . . . . 54.43 109.652 -177.068 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.445 ' HB2' HG21 ' A' ' 3' ' ' ILE . 37.8 ttmt -136.05 143.72 44.85 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.456 -0.338 . . . . 62.42 110.663 176.627 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 10.3 t -147.71 146.01 29.09 Favored 'General case' 0 C--O 1.239 0.501 0 CA-C-N 115.809 -0.632 . . . . 73.02 109.458 176.597 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -112.07 134.63 53.5 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.141 0.496 . . . . 64.34 110.954 -178.388 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -129.29 121.79 28.26 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.883 -0.598 . . . . 65.14 109.486 177.097 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.567 ' HA ' ' HA ' ' B' ' 80' ' ' THR . 14.5 t -99.39 146.09 26.68 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.708 -0.478 . . . . 73.43 109.708 -177.81 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 26.6 p -130.47 113.51 14.38 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 121.036 0.446 . . . . 71.32 110.379 -178.117 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.5 m -92.88 154.91 17.93 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.811 -0.631 . . . . 72.12 110.438 -178.511 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -81.03 77.72 1.99 Allowed Glycine 0 N--CA 1.447 -0.625 0 C-N-CA 120.748 -0.739 . . . . 62.44 111.884 176.7 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -61.76 -129.17 0.01 OUTLIER Glycine 0 CA--C 1.527 0.815 0 C-N-CA 121.05 -0.595 . . . . 62.02 112.426 172.07 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 26.5 tpt180 -70.36 -51.86 26.86 Favored 'General case' 0 N--CA 1.465 0.276 0 O-C-N 122.247 -0.56 . . . . 73.04 110.081 177.127 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.524 ' HB3' ' HA ' ' A' ' 31' ' ' SER . 17.2 t70 -125.56 -42.33 1.96 Allowed 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 108.912 -0.773 . . . . 74.22 108.912 175.651 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -164.28 152.71 22.63 Favored Glycine 0 C--N 1.341 0.842 0 C-N-CA 119.946 -1.121 . . . . 73.12 112.083 167.392 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.518 ' HA ' ' HA ' ' A' ' 29' ' ' LYS . 65.8 ttt180 -126.42 150.43 48.64 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 108.667 -0.864 . . . . 73.24 108.667 173.054 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.515 ' HB1' ' HB1' ' B' ' 52' ' ' ALA . . . -140.13 123.8 17.26 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.658 -0.497 . . . . 71.12 109.658 -179.125 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 62.5 m -142.42 114.82 8.42 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.028 -0.533 . . . . 63.53 110.976 -173.664 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.623 ' HB3' ' N ' ' A' ' 26' ' ' LEU . 27.5 t -71.1 111.45 6.47 Favored 'General case' 0 C--O 1.245 0.83 0 N-CA-C 107.38 -1.341 . . . . 62.3 107.38 173.884 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 59.2 t-80 -55.34 -24.47 29.34 Favored 'General case' 0 N--CA 1.466 0.354 0 O-C-N 125.737 1.898 . . . . 71.44 111.894 -166.483 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.498 ' HB3' ' HE2' ' A' ' 25' ' ' LYS . 30.7 t70 -80.69 15.35 1.75 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.153 -0.476 . . . . 73.43 110.246 -179.045 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 31.7 mm-40 68.73 17.04 8.91 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 115.756 -0.656 . . . . 72.53 110.329 -178.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.498 ' HE2' ' HB3' ' A' ' 23' ' ' ASP . 56.5 mtmt -85.91 -13.29 48.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.698 -0.683 . . . . 73.44 110.851 179.1 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.623 ' N ' ' HB3' ' A' ' 21' ' ' SER . 42.7 tp -156.96 146.22 20.31 Favored 'General case' 0 C--O 1.222 -0.357 0 C-N-CA 120.282 -0.567 . . . . 74.42 111.009 172.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -161.26 99.78 1.19 Allowed 'General case' 0 N--CA 1.466 0.328 0 O-C-N 123.447 0.467 . . . . 74.13 110.661 174.685 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 2.7 m -148.86 177.81 0.82 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.61 0 C-N-CA 122.734 0.413 . . . . 62.12 111.273 176.768 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.518 ' HA ' ' HA ' ' A' ' 18' ' ' ARG . 0.0 OUTLIER -124.59 142.4 51.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.806 -0.634 . . . . 62.42 110.167 177.771 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.577 ' HB2' ' O ' ' A' ' 44' ' ' THR . 0.0 OUTLIER -124.5 166.22 16.42 Favored 'General case' 0 C--O 1.25 1.087 0 CA-C-N 116.047 -0.524 . . . . 64.12 109.618 175.316 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.524 ' HA ' ' HB3' ' A' ' 16' ' ' ASP . 58.4 p -173.74 134.15 0.47 Allowed 'General case' 0 N--CA 1.445 -0.694 0 CA-C-N 115.959 -0.564 . . . . 75.34 111.504 -172.754 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -74.16 138.95 75.52 Favored Pre-proline 0 C--N 1.322 -0.614 0 N-CA-C 108.715 -0.846 . . . . 52.21 108.715 168.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -73.12 40.64 0.52 Allowed 'Trans proline' 0 CA--C 1.535 0.537 0 C-N-CA 122.726 2.284 . . . . 73.33 111.838 178.539 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.516 ' O ' ' N ' ' A' ' 36' ' ' LEU . 9.4 ttt180 57.48 -88.73 0.02 OUTLIER 'General case' 0 N--CA 1.449 -0.509 0 C-N-CA 123.674 0.79 . . . . 50.12 110.824 -176.125 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 51.27 -75.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 O-C-N 124.21 0.944 . . . . 75.14 112.708 178.45 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.516 ' N ' ' O ' ' A' ' 34' ' ' ARG . 40.3 mt -85.87 -27.44 25.04 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.715 -0.675 . . . . 63.44 109.894 -171.793 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 149.45 48.47 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.27 0 CA-C-N 115.741 -0.663 . . . . 72.22 112.627 176.685 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.416 ' H ' ' HA ' ' A' ' 34' ' ' ARG . . . -102.76 -135.92 8.93 Favored Glycine 0 N--CA 1.447 -0.567 0 C-N-CA 120.288 -0.958 . . . . 73.44 111.211 178.708 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -108.78 -36.81 6.04 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.07 0.462 . . . . 63.22 110.619 178.494 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 83.36 96.22 0.58 Allowed Glycine 0 N--CA 1.451 -0.362 0 CA-C-N 115.901 -0.591 . . . . 45.53 112.183 -178.478 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -158.57 158.69 34.42 Favored 'General case' 0 C--O 1.237 0.439 0 CA-C-O 120.842 0.353 . . . . 44.21 111.134 178.82 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.405 ' H ' ' HG2' ' A' ' 42' ' ' GLU . 10.3 pt-20 -76.12 83.72 2.96 Favored 'General case' 0 C--O 1.238 0.476 0 CA-C-O 122.037 0.922 . . . . 71.23 110.524 178.564 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -145.7 -163.28 10.14 Favored Glycine 0 C--N 1.313 -0.712 0 CA-C-N 114.937 -1.028 . . . . 55.55 111.546 177.815 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.577 ' O ' ' HB2' ' A' ' 30' ' ' LEU . 28.3 m -100.78 134.69 43.37 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.584 0.231 . . . . 74.01 110.784 -179.016 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -63.93 128.22 92.67 Favored Pre-proline 0 N--CA 1.463 0.208 0 N-CA-C 109.612 -0.514 . . . . 72.33 109.612 169.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 8.3 Cg_endo -51.23 -45.3 37.85 Favored 'Trans proline' 0 CA--C 1.536 0.575 0 C-N-CA 122.737 2.291 . . . . 63.04 112.473 177.456 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -60.25 -44.35 95.35 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-O 121.681 0.753 . . . . 62.13 109.023 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.417 HE21 ' HB3' ' A' ' 48' ' ' GLN . 7.2 tt0 -61.58 -38.29 86.99 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 114.479 -1.237 . . . . 72.35 110.769 178.251 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.446 HD12 ' HA3' ' B' ' 53' ' ' GLY . 3.2 tm? -64.13 -49.45 72.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.605 -0.725 . . . . 71.11 109.872 -178.337 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 46.9 t80 -64.02 -48.24 77.09 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 116.25 -0.432 . . . . 64.45 110.827 178.645 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -53.5 -48.88 68.58 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-O 120.728 0.299 . . . . 52.03 111.446 177.763 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -61.58 -52.67 63.45 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-O 120.941 0.4 . . . . 51.43 110.625 -179.642 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -62.83 -34.83 90.88 Favored Glycine 0 C--O 1.226 -0.361 0 CA-C-N 115.738 -0.664 . . . . 45.35 112.559 -179.093 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -70.84 -43.95 67.47 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 122.618 0.367 . . . . 71.4 110.616 -177.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.536 ' HB3' ' HB2' ' A' ' 81' ' ' ALA . 32.7 p -64.13 -48.17 77.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.798 0.332 . . . . 50.31 110.128 178.169 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.461 ' HB1' HD21 ' B' ' 30' ' ' LEU . . . -61.44 -39.24 90.11 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 115.974 -0.557 . . . . 72.41 110.609 176.673 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 53.5 t -65.41 -36.13 83.01 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.072 -0.513 . . . . 74.4 110.056 178.045 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 12.4 t80 -63.39 -29.76 71.01 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.175 -0.466 . . . . 64.12 109.885 -178.503 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.458 HD21 HG23 ' A' ' 79' ' ' VAL . 95.7 mt -64.42 -54.3 34.8 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 116.046 -0.525 . . . . 74.12 109.822 174.549 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 32.0 t -57.47 -39.35 76.17 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 115.75 -0.659 . . . . 74.4 110.31 177.473 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.412 ' O ' HG23 ' A' ' 65' ' ' VAL . . . -62.03 -48.24 81.14 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.836 -0.62 . . . . 64.15 110.096 178.675 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' MET . . . . . 0.411 ' SD ' ' HB1' ' A' ' 118' ' ' ALA . 83.4 mmm -65.5 -25.87 67.67 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.297 -0.411 . . . . 61.32 110.755 178.144 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.13 -47.38 74.29 Favored 'General case' 0 CA--C 1.531 0.214 0 N-CA-C 108.598 -0.89 . . . . 62.32 108.598 175.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 74.7 t80 -65.61 -44.69 85.77 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 115.54 -0.754 . . . . 70.35 110.5 177.336 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.412 HG23 ' O ' ' A' ' 61' ' ' ALA . 53.3 t -57.12 -48.92 81.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.116 -0.493 . . . . 51.41 110.359 177.923 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.41 -30.41 68.44 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.083 0.468 . . . . 55.45 110.149 177.21 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -72.15 -30.84 64.64 Favored Glycine 0 N--CA 1.454 -0.11 0 CA-C-N 115.463 -0.79 . . . . 65.01 112.205 -178.165 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -94.08 -16.78 23.49 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 109.307 -0.627 . . . . 73.33 109.307 -179.383 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 17.5 m-80 -97.19 5.19 50.53 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.237 -0.892 . . . . 73.35 110.095 177.166 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.401 ' N ' ' HD3' ' A' ' 70' ' ' LYS . 22.9 mmtm 60.45 22.32 11.96 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 114.961 -1.018 . . . . 70.5 111.366 171.615 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -113.76 169.02 9.29 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.843 -0.617 . . . . 65.11 110.904 -177.551 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 32.3 p -123.81 137.87 54.59 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.913 -0.585 . . . . 71.13 110.618 178.324 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.438 ' HA ' ' HD3' ' A' ' 74' ' ' PRO . 94.4 mt -109.38 137.98 20.4 Favored Pre-proline 0 C--N 1.325 -0.492 0 CA-C-N 116.048 -0.524 . . . . 63.13 110.255 178.374 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.44 ' HB2' ' HG2' ' A' ' 104' ' ' PRO . 37.3 Cg_exo -58.09 131.34 42.81 Favored 'Trans proline' 0 C--N 1.349 0.598 0 C-N-CA 122.747 2.298 . . . . 75.32 112.42 -178.563 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -77.32 -1.51 30.21 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 121.008 0.432 . . . . 74.43 111.886 -177.295 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -87.31 5.01 40.55 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.345 0.593 . . . . 72.44 110.855 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.506 ' HB ' HD12 ' A' ' 103' ' ' LEU . 9.9 t -75.81 165.25 25.29 Favored 'General case' 0 C--O 1.238 0.451 0 CA-C-N 115.754 -0.657 . . . . 73.42 112.315 -174.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.551 HG23 ' HA ' ' B' ' 12' ' ' THR . 23.6 m -158.18 149.39 21.05 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 115.517 -0.765 . . . . 65.01 109.455 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.458 HG23 HD21 ' A' ' 59' ' ' LEU . 70.1 t -130.67 126.49 60.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 N-CA-C 110.123 -0.325 . . . . 73.54 110.123 177.727 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 29.1 m -107.43 110.41 22.37 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.892 0.377 . . . . 61.0 110.688 179.106 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.536 ' HB2' ' HB3' ' A' ' 55' ' ' SER . . . -93.48 104.78 16.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.041 -0.527 . . . . 75.0 109.809 177.878 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.464 ' HG2' ' HD3' ' B' ' 6' ' ' LYS . 32.6 tt0 -100.94 107.93 19.54 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.103 -0.703 . . . . 74.0 109.103 178.714 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.628 HG23 HG22 ' A' ' 97' ' ' VAL . 7.5 p -106.35 140.68 23.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.958 -0.565 . . . . 74.25 110.704 -173.449 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.406 ' HA2' ' HA ' ' B' ' 6' ' ' LYS . . . -145.35 170.96 26.57 Favored Glycine 0 N--CA 1.443 -0.885 0 CA-C-N 116.037 -0.529 . . . . 64.22 111.998 179.275 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.466 HD11 ' CD2' ' A' ' 93' ' ' PHE . 0.0 OUTLIER -146.3 139.81 20.55 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 N-CA-C 109.756 -0.461 . . . . 71.32 109.756 -178.046 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -149.68 169.9 29.85 Favored Glycine 0 CA--C 1.517 0.213 0 N-CA-C 110.903 -0.879 . . . . 64.2 110.903 -179.201 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.653 ' HD3' ' HG ' ' B' ' 4' ' ' LEU . 74.5 Cg_endo -73.45 142.04 32.54 Favored 'Trans proline' 0 C--O 1.234 0.305 0 C-N-CA 122.38 2.053 . . . . 75.13 112.054 -176.499 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 49.9 t-20 -99.06 146.03 26.5 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.21 -0.663 . . . . 63.43 109.21 178.551 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -63.92 -15.72 59.77 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-O 120.9 0.381 . . . . 74.31 111.286 -178.489 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -67.32 -25.15 65.87 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-O 121.255 0.55 . . . . 62.35 110.055 174.368 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.22 26.57 6.55 Favored Glycine 0 N--CA 1.451 -0.333 0 CA-C-N 115.507 -0.769 . . . . 52.42 111.664 -176.03 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -132.7 -140.77 4.5 Favored Glycine 0 N--CA 1.45 -0.406 0 N-CA-C 111.193 -0.763 . . . . 74.12 111.193 177.869 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.466 ' CD2' HD11 ' A' ' 85' ' ' ILE . 43.4 m-85 -119.07 153.8 34.18 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.038 0.447 . . . . 72.25 110.562 -179.86 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -137.41 131.15 31.6 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.492 -0.776 . . . . 73.43 109.18 -179.49 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -95.62 132.29 40.93 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.124 0.488 . . . . 75.45 111.346 -174.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.568 ' HB2' ' SD ' ' B' ' 1' ' ' MET . 13.8 t70 -116.39 110.32 18.52 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.065 -0.97 . . . . 62.1 108.791 178.806 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.764 ' HB ' HG22 ' A' ' 134' ' ' VAL . 46.5 t -120.3 110.72 29.62 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 C-N-CA 120.823 -0.351 . . . . 41.42 110.555 -177.912 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -98.28 107.58 20.09 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.715 -0.476 . . . . 51.52 109.715 178.489 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 14.7 tp -97.64 108.65 21.42 Favored 'General case' 0 C--O 1.235 0.332 0 N-CA-C 109.614 -0.513 . . . . 73.33 109.614 -176.884 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.562 ' HA ' ' O ' ' A' ' 137' ' ' VAL . 64.6 mtt180 -99.43 111.76 24.07 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.033 -0.53 . . . . 73.43 110.545 -175.446 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 41.4 t -101.73 100.46 10.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.241 -0.436 . . . . 72.23 110.775 -174.496 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -92.5 101.36 13.8 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 110.285 -0.265 . . . . 73.1 110.285 178.568 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.897 HD23 HD22 ' A' ' 106' ' ' LEU . 22.8 tp -115.22 115.21 42.88 Favored Pre-proline 0 C--N 1.328 -0.362 0 N-CA-C 108.986 -0.746 . . . . 73.31 108.986 178.502 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 104' ' ' PRO . . . . . 0.555 ' HD2' HD12 ' A' ' 103' ' ' LEU . 60.3 Cg_endo -71.88 149.24 53.32 Favored 'Trans proline' 0 C--O 1.234 0.312 0 C-N-CA 122.948 2.432 . . . . 73.52 113.07 -172.818 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 70.27 15.19 72.24 Favored Glycine 0 CA--C 1.519 0.303 0 CA-C-N 115.41 -0.814 . . . . 54.45 112.753 -179.216 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.897 HD22 HD23 ' A' ' 103' ' ' LEU . 32.2 tp -118.83 142.16 47.98 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 122.742 0.417 . . . . 65.03 110.609 -176.236 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -75.39 163.17 27.71 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-O 120.846 0.355 . . . . 72.42 110.974 179.702 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -64.75 -45.95 84.25 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.4 -0.818 . . . . 74.35 110.218 170.54 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -64.2 -49.76 70.76 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 115.509 -0.769 . . . . 64.13 110.665 -176.44 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 0.545 ' O ' HG22 ' A' ' 113' ' ' THR . . . -66.48 -43.45 85.37 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.675 -0.693 . . . . 73.25 109.776 -178.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 111' ' ' ALA . . . . . 0.503 ' HA ' HD21 ' A' ' 106' ' ' LEU . . . -54.72 -46.32 74.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.949 -0.569 . . . . 54.13 111.357 177.549 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 112' ' ' LYS . . . . . 0.423 ' O ' ' HB2' ' A' ' 116' ' ' ASP . 63.1 mmtt -54.48 -36.51 64.23 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 116.426 -0.352 . . . . 74.23 111.397 179.628 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 113' ' ' THR . . . . . 0.545 HG22 ' O ' ' A' ' 110' ' ' ALA . 0.7 OUTLIER -82.24 -37.37 26.05 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-O 120.668 0.27 . . . . 74.22 110.969 -177.889 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.497 ' HG ' ' O ' ' A' ' 110' ' ' ALA . 55.4 mt -65.53 -49.48 68.78 Favored 'General case' 0 C--O 1.231 0.11 0 CA-C-O 120.884 0.373 . . . . 61.01 110.372 -177.812 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.408 ' O ' ' HB2' ' A' ' 119' ' ' HIS . 63.6 t -64.78 -32.86 59.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.859 -0.609 . . . . 72.22 110.102 179.017 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 116' ' ' ASP . . . . . 0.423 ' HB2' ' O ' ' A' ' 112' ' ' LYS . 10.8 t70 -61.17 -60.97 2.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.695 -0.684 . . . . 63.5 110.369 179.803 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 12.8 ptm180 -68.56 -37.43 79.91 Favored 'General case' 0 N--CA 1.457 -0.096 0 CA-C-N 116.292 -0.413 . . . . 65.24 111.052 -175.549 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 118' ' ' ALA . . . . . 0.411 ' HB1' ' SD ' ' A' ' 62' ' ' MET . . . -59.56 -46.61 88.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.197 0.522 . . . . 63.41 110.41 177.878 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 119' ' ' HIS . . . . . 0.408 ' HB2' ' O ' ' A' ' 115' ' ' VAL . 1.3 t60 -76.68 -1.76 29.4 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 115.718 -0.674 . . . . 74.13 110.417 -178.855 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 10.1 t60 -98.62 -42.49 7.24 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 115.834 -0.621 . . . . 75.14 110.311 176.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 34.1 m -85.84 -43.52 16.56 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.203 0 N-CA-C 112.566 0.58 . . . . 74.54 112.566 -171.81 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 51.2 t -147.95 66.46 9.59 Favored Pre-proline 0 C--O 1.235 0.298 0 N-CA-C 112.432 0.53 . . . . 72.12 112.432 -174.626 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 65.1 Cg_endo -92.39 148.46 2.93 Favored 'Trans proline' 0 N--CA 1.456 -0.733 0 C-N-CA 122.749 2.3 . . . . 74.45 110.53 167.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 60.3 t80 -60.2 -23.86 64.35 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 121.289 0.566 . . . . 65.44 110.418 178.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 17.7 p -142.05 106.39 4.81 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.609 -0.723 . . . . 62.44 110.206 178.706 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 126' ' ' ASN . . . . . 0.455 ' O ' ' HG2' ' A' ' 129' ' ' ARG . 16.4 m120 -66.88 -31.77 72.6 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 121.45 0.643 . . . . 73.42 109.452 173.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 127' ' ' ALA . . . . . 0.497 ' O ' HG23 ' A' ' 132' ' ' VAL . . . -64.77 -5.21 5.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.095 -0.957 . . . . 54.1 112.652 -176.61 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 128' ' ' THR . . . . . 0.488 ' HA ' ' HB ' ' A' ' 132' ' ' VAL . 2.3 t -91.73 -5.68 53.23 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.606 0.717 . . . . 73.21 109.408 -167.174 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 129' ' ' ARG . . . . . 0.455 ' HG2' ' O ' ' A' ' 126' ' ' ASN . 1.6 ptm180 -120.98 -43.75 2.44 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.059 -0.973 . . . . 72.04 111.013 -176.217 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -78.47 -49.8 12.79 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-O 121.352 0.596 . . . . 71.52 111.099 175.204 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 131' ' ' ASN . . . . . 0.441 ' HB3' ' O ' ' A' ' 127' ' ' ALA . 0.2 OUTLIER -85.17 -40.17 17.01 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.208 -0.905 . . . . 72.12 111.135 -175.336 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 132' ' ' VAL . . . . . 0.497 HG23 ' O ' ' A' ' 127' ' ' ALA . 18.7 t -111.89 163.64 8.59 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.462 0 CA-C-N 116.149 -0.478 . . . . 70.22 110.578 -175.135 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 133' ' ' ALA . . . . . 0.426 ' N ' HG12 ' A' ' 132' ' ' VAL . . . -100.08 92.31 5.18 Favored 'General case' 0 C--O 1.243 0.717 0 CA-C-O 121.53 0.681 . . . . 45.42 111.997 -176.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 134' ' ' VAL . . . . . 0.764 HG22 ' HB ' ' A' ' 97' ' ' VAL . 79.3 t -109.15 121.7 62.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.316 -0.857 . . . . 75.02 110.319 172.005 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 135' ' ' ARG . . . . . 0.443 ' HD2' ' N ' ' A' ' 135' ' ' ARG . 1.2 mpt_? -86.3 108.02 18.23 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 108.85 -0.796 . . . . 72.41 108.85 177.799 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 59.9 mt -79.85 100.21 7.9 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.53 0.681 . . . . 50.04 110.263 178.217 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 137' ' ' VAL . . . . . 0.562 ' O ' ' HA ' ' A' ' 100' ' ' ARG . 0.1 OUTLIER -111.88 121.78 65.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 114.918 -1.037 . . . . 74.42 109.433 -177.504 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 5.4 m -97.85 138.92 21.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-O 121.394 0.616 . . . . 53.11 110.268 -175.315 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.308 -1.207 0 CA-C-N 115.15 -0.932 . . . . 73.13 110.856 -175.412 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 1' ' ' MET . . . . . 0.568 ' SD ' ' HB2' ' A' ' 96' ' ' ASP . 28.4 ptm . . . . . 0 C--O 1.235 0.299 0 CA-C-O 121.043 0.449 . . . . 72.42 110.843 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 2' ' ' ASN . . . . . 0.523 ' O ' ' HD2' ' A' ' 87' ' ' PRO . 40.4 t30 -97.14 86.08 3.86 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.688 -0.687 . . . . 61.35 109.717 -179.506 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 3' ' ' ILE . . . . . 0.533 HG21 ' HB2' ' B' ' 6' ' ' LYS . 33.8 mm -69.85 132.31 33.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.425 -0.807 . . . . 72.42 111.639 179.756 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.653 ' HG ' ' HD3' ' A' ' 87' ' ' PRO . 89.3 mt -90.73 -36.98 14.0 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.57 -0.741 . . . . 75.25 110.03 174.266 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 5' ' ' TYR . . . . . . . . . . . . . 14.4 t80 -143.07 130.25 20.83 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 116.126 -0.488 . . . . 75.45 110.502 -179.553 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 6' ' ' LYS . . . . . 0.533 ' HB2' HG21 ' B' ' 3' ' ' ILE . 31.6 ttmt -142.51 139.73 31.58 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-O 121.237 0.541 . . . . 65.01 111.411 174.378 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 10.0 t -137.5 147.37 45.19 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-N 115.358 -0.837 . . . . 72.52 109.738 177.407 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 8' ' ' ALA . . . . . 0.43 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . . . -111.56 141.23 45.41 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 121.079 0.466 . . . . 64.22 111.718 -175.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 9' ' ' ALA . . . . . 0.496 ' HA ' ' HA ' ' B' ' 21' ' ' SER . . . -131.62 117.98 19.44 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.856 -0.611 . . . . 31.45 110.385 178.017 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 65.9 m -99.7 115.86 30.45 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.267 -0.424 . . . . 64.31 110.121 -179.227 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 11' ' ' SER . . . . . 0.441 ' HA ' ' O ' ' B' ' 18' ' ' ARG . 23.1 p -106.31 113.44 26.97 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.147 0.498 . . . . 74.14 110.914 178.491 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 12' ' ' THR . . . . . 0.551 ' HA ' HG23 ' A' ' 78' ' ' THR . 2.5 m -81.46 155.01 26.05 Favored 'General case' 0 C--O 1.245 0.86 0 CA-C-N 115.983 -0.553 . . . . 53.42 110.845 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -73.3 75.05 1.0 Allowed Glycine 0 N--CA 1.445 -0.701 0 CA-C-N 115.475 -0.784 . . . . 71.12 111.587 174.429 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -66.15 -151.34 0.13 Allowed Glycine 0 C--N 1.332 0.308 0 C-N-CA 121.292 -0.48 . . . . 73.4 111.953 174.07 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 50.9 mtt180 -70.88 -40.3 72.34 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 122.307 -0.525 . . . . 65.14 110.453 177.37 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 16' ' ' ASP . . . . . 0.517 ' HB3' ' HA ' ' B' ' 31' ' ' SER . 14.7 t70 -126.33 -43.24 1.78 Allowed 'General case' 0 N--CA 1.466 0.344 0 N-CA-C 109.786 -0.449 . . . . 65.33 109.786 168.583 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -167.82 146.45 10.6 Favored Glycine 0 C--N 1.34 0.805 0 C-N-CA 120.21 -0.995 . . . . 74.22 112.249 164.521 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 18' ' ' ARG . . . . . 0.441 ' O ' ' HA ' ' B' ' 11' ' ' SER . 0.0 OUTLIER -126.21 104.11 8.04 Favored 'General case' 0 C--O 1.222 -0.386 0 N-CA-C 108.98 -0.748 . . . . 74.4 108.98 178.308 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -102.34 123.61 46.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.764 0.316 . . . . 64.21 110.949 -173.461 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 20' ' ' THR . . . . . 0.408 HG23 ' O ' ' B' ' 26' ' ' LEU . 89.2 m -134.2 115.05 13.73 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.295 -0.412 . . . . 75.11 110.209 -178.021 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 21' ' ' SER . . . . . 0.596 ' HB3' ' N ' ' B' ' 26' ' ' LEU . 10.9 t -64.77 108.51 1.76 Allowed 'General case' 0 C--O 1.25 1.081 0 N-CA-C 107.985 -1.117 . . . . 74.21 107.985 175.915 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 22' ' ' HIS . . . . . 0.417 ' C ' ' H ' ' B' ' 24' ' ' GLN . 28.7 t-80 -55.82 -20.19 14.32 Favored 'General case' 0 C--N 1.347 0.476 0 O-C-N 126.48 2.363 . . . . 73.12 112.088 -170.772 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -80.36 14.43 1.98 Allowed 'General case' 0 C--N 1.316 -0.87 0 N-CA-C 109.477 -0.564 . . . . 63.54 109.477 179.03 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 24' ' ' GLN . . . . . 0.417 ' H ' ' C ' ' B' ' 22' ' ' HIS . 26.6 mm-40 66.16 24.07 10.87 Favored 'General case' 0 CA--C 1.517 -0.32 0 CA-C-N 114.963 -1.017 . . . . 71.43 109.366 178.336 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 24.4 mtmm -93.86 -23.9 17.95 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 114.891 -1.05 . . . . 41.25 111.422 -179.396 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 26' ' ' LEU . . . . . 0.596 ' N ' ' HB3' ' B' ' 21' ' ' SER . 42.6 tp -148.57 146.73 28.4 Favored 'General case' 0 CA--C 1.5 -0.961 0 C-N-CA 119.018 -1.073 . . . . 71.52 111.963 -178.156 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -150.65 98.24 2.6 Favored 'General case' 0 N--CA 1.443 -0.814 0 CA-C-N 114.956 -1.02 . . . . 53.33 109.653 178.508 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 3.0 m -143.86 178.2 1.92 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.39 0 CA-C-O 121.387 0.613 . . . . 74.12 111.471 178.315 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 29' ' ' LYS . . . . . 0.685 ' HE3' ' HG3' ' B' ' 42' ' ' GLU . 0.3 OUTLIER -146.68 141.27 26.66 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.29 -0.868 . . . . 64.31 109.621 -178.939 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 30' ' ' LEU . . . . . 0.743 ' HA ' ' H ' ' B' ' 44' ' ' THR . 0.0 OUTLIER -126.48 164.88 20.17 Favored 'General case' 0 C--O 1.254 1.304 0 CA-C-O 121.183 0.516 . . . . 72.32 111.231 -176.916 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 31' ' ' SER . . . . . 0.517 ' HA ' ' HB3' ' B' ' 16' ' ' ASP . 38.2 p -156.43 130.87 8.77 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 114.607 -1.179 . . . . 62.35 111.265 -177.68 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.74 141.73 98.38 Favored Pre-proline 0 C--O 1.241 0.609 0 CA-C-N 116.039 -0.528 . . . . 75.13 111.202 178.722 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 33' ' ' PRO . . . . . 0.437 ' HG2' HD12 ' B' ' 36' ' ' LEU . 12.3 Cg_endo -55.04 125.89 20.71 Favored 'Trans proline' 0 C--N 1.351 0.688 0 C-N-CA 122.85 2.367 . . . . 71.3 111.595 179.407 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 34' ' ' ARG . . . . . 0.723 ' HB2' ' HA3' ' B' ' 40' ' ' GLY . 6.5 tpt180 -65.62 -20.72 66.42 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.314 -0.403 . . . . 71.43 110.556 -175.159 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 10.7 mp0 -53.04 -31.49 41.67 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 115.545 -0.752 . . . . 72.42 110.871 178.834 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.437 HD12 ' HG2' ' B' ' 33' ' ' PRO . 37.5 mt -103.28 11.27 37.0 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.728 -0.669 . . . . 63.52 111.079 -174.599 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 90.37 22.04 35.98 Favored Glycine 0 N--CA 1.452 -0.241 0 CA-C-N 115.865 -0.607 . . . . 51.22 112.408 -177.908 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -84.77 -130.35 2.11 Favored Glycine 0 C--N 1.336 0.534 0 C-N-CA 121.187 -0.53 . . . . 64.12 112.302 -178.484 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -114.58 -26.71 7.78 Favored 'General case' 0 N--CA 1.465 0.28 0 N-CA-C 111.808 0.299 . . . . 71.25 111.808 -177.1 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 40' ' ' GLY . . . . . 0.723 ' HA3' ' HB2' ' B' ' 34' ' ' ARG . . . 46.51 40.38 11.25 Favored Glycine 0 C--N 1.336 0.569 0 O-C-N 123.409 0.443 . . . . 53.13 113.474 -174.879 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -90.76 -171.91 3.2 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.974 0.416 . . . . 45.11 111.021 -177.619 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 42' ' ' GLU . . . . . 0.685 ' HG3' ' HE3' ' B' ' 29' ' ' LYS . 12.0 pt-20 -80.28 32.18 0.28 Allowed 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 115.86 -0.609 . . . . 74.14 111.492 -177.796 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -112.03 -171.98 18.91 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 121.135 -0.555 . . . . 72.12 112.435 -177.583 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 44' ' ' THR . . . . . 0.743 ' H ' ' HA ' ' B' ' 30' ' ' LEU . 33.7 m -99.42 143.56 29.52 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 110.327 -0.249 . . . . 35.03 110.327 -179.864 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 45' ' ' ASN . . . . . 0.498 ' HB2' ' HB3' ' B' ' 48' ' ' GLN . 2.1 m-20 -63.43 135.28 96.18 Favored Pre-proline 0 C--N 1.325 -0.468 0 N-CA-C 110.177 -0.305 . . . . 71.14 110.177 175.341 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 46' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -59.15 -50.34 8.92 Favored 'Trans proline' 0 C--O 1.237 0.474 0 C-N-CA 122.768 2.312 . . . . 54.41 112.021 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 7.0 pm0 -65.74 -33.03 74.92 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.221 -0.445 . . . . 73.03 110.369 -177.758 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 48' ' ' GLN . . . . . 0.498 ' HB3' ' HB2' ' B' ' 45' ' ' ASN . 24.8 tt0 -70.27 -39.8 74.72 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.712 -0.676 . . . . 65.22 110.52 177.749 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -63.15 -50.68 69.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.547 -0.751 . . . . 73.15 109.775 -179.363 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 39.0 t80 -62.58 -45.42 93.0 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.824 -0.625 . . . . 74.53 110.851 178.521 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 51' ' ' ALA . . . . . 0.559 ' HB2' HG11 ' B' ' 83' ' ' VAL . . . -51.66 -53.17 41.71 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.467 -0.333 . . . . 63.22 111.197 177.266 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 52' ' ' ALA . . . . . 0.515 ' HB1' ' HB1' ' A' ' 19' ' ' ALA . . . -63.54 -39.31 94.08 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 115.742 -0.663 . . . . 74.31 110.829 -178.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 53' ' ' GLY . . . . . 0.446 ' HA3' HD12 ' A' ' 49' ' ' LEU . . . -67.65 -33.73 81.63 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 121.132 -0.556 . . . . 73.22 112.282 178.841 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -72.64 -49.23 33.22 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.891 -0.411 . . . . 73.14 109.891 -179.31 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 55' ' ' SER . . . . . 0.436 ' HB3' ' HB2' ' B' ' 81' ' ' ALA . 45.8 p -63.19 -45.98 89.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.923 0.392 . . . . 71.55 110.572 -179.834 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 56' ' ' ALA . . . . . 0.545 ' HB1' HD21 ' A' ' 30' ' ' LEU . . . -62.62 -42.23 99.46 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.03 -0.532 . . . . 72.32 110.689 178.123 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 57' ' ' CYS . . . . . . . . . . . . . 52.0 t -62.93 -36.64 84.08 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.267 -0.424 . . . . 72.4 109.974 176.653 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 23.1 t80 -63.74 -31.18 72.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.827 -0.624 . . . . 52.32 110.115 -178.046 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 95.6 mt -64.8 -56.58 12.65 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 116.043 -0.526 . . . . 64.41 110.32 176.344 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 60' ' ' SER . . . . . 0.419 ' O ' ' HB3' ' B' ' 63' ' ' LYS . 21.8 t -61.2 -37.45 83.01 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 115.808 -0.633 . . . . 73.23 110.191 -179.847 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 61' ' ' ALA . . . . . 0.448 ' O ' HG23 ' B' ' 65' ' ' VAL . . . -64.77 -43.02 94.61 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 115.921 -0.581 . . . . 44.1 110.027 177.385 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 62' ' ' MET . . . . . 0.528 ' HG3' HD11 ' B' ' 73' ' ' LEU . 3.4 tpt -61.15 -36.91 81.05 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 115.797 -0.638 . . . . 71.0 109.707 177.872 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 63' ' ' LYS . . . . . 0.419 ' HB3' ' O ' ' B' ' 60' ' ' SER . 22.7 tptp -60.04 -51.95 67.47 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 115.648 -0.705 . . . . 72.03 110.232 175.036 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 81.9 t80 -60.42 -41.57 94.21 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 116.163 -0.471 . . . . 73.11 110.538 179.576 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 65' ' ' VAL . . . . . 0.448 HG23 ' O ' ' B' ' 61' ' ' ALA . 55.4 t -59.17 -46.93 91.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.027 -0.533 . . . . 75.05 110.492 178.247 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -57.31 -30.86 65.1 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.157 -0.474 . . . . 74.13 110.558 179.556 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -71.94 -28.44 68.7 Favored Glycine 0 N--CA 1.45 -0.393 0 CA-C-N 115.515 -0.766 . . . . 75.04 112.475 -178.438 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -99.02 -13.3 19.94 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.361 0.6 . . . . 64.5 109.539 179.546 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -96.67 -5.25 39.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.416 -0.811 . . . . 65.21 110.681 177.363 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 56.43 39.64 29.94 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-O 121.488 0.661 . . . . 73.12 110.85 176.705 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -121.84 169.61 10.6 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 114.875 -1.057 . . . . 74.24 110.22 178.881 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 17.0 p -119.25 137.32 53.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.373 -0.376 . . . . 74.12 110.859 -178.909 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 73' ' ' LEU . . . . . 0.528 HD11 ' HG3' ' B' ' 62' ' ' MET . 81.3 mt -109.6 138.07 20.51 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.348 -0.387 . . . . 75.15 110.784 179.1 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 74' ' ' PRO . . . . . 0.69 ' HD2' HD11 ' B' ' 103' ' ' LEU . 21.8 Cg_exo -67.16 142.4 60.91 Favored 'Trans proline' 0 C--N 1.348 0.535 0 C-N-CA 122.907 2.404 . . . . 62.01 111.826 175.185 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -77.21 -19.59 56.47 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.359 0.503 . . . . 71.53 112.359 -176.047 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -81.29 9.78 6.55 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-O 121.141 0.496 . . . . 60.22 111.601 -175.727 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 77' ' ' THR . . . . . 0.476 ' HB ' HD12 ' B' ' 103' ' ' LEU . 9.8 t -77.1 159.7 29.61 Favored 'General case' 0 CA--C 1.537 0.449 0 N-CA-C 112.349 0.5 . . . . 73.25 112.349 -174.837 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 34.1 m -155.87 153.04 29.08 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 115.646 -0.707 . . . . 71.23 109.683 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 82.6 t -131.4 128.09 60.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 N-CA-C 109.343 -0.614 . . . . 54.24 109.343 174.465 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 80' ' ' THR . . . . . 0.567 ' HA ' ' HA ' ' A' ' 10' ' ' THR . 28.0 m -110.53 116.02 30.65 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.753 0.311 . . . . 72.42 110.782 -178.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 81' ' ' ALA . . . . . 0.436 ' HB2' ' HB3' ' B' ' 55' ' ' SER . . . -93.4 105.28 17.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 73.43 110.225 178.755 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -99.71 107.9 20.1 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.086 -0.709 . . . . 71.23 109.086 178.896 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 83' ' ' VAL . . . . . 0.559 HG11 ' HB2' ' B' ' 51' ' ' ALA . 18.8 m -109.67 139.6 32.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 120.89 0.376 . . . . 71.44 111.479 -174.256 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 84' ' ' GLY . . . . . . . . . . . . . . . -132.52 152.1 20.14 Favored Glycine 0 N--CA 1.442 -0.959 0 N-CA-C 110.954 -0.858 . . . . 52.45 110.954 175.738 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -132.24 129.25 59.66 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.859 0 N-CA-C 109.276 -0.638 . . . . 73.1 109.276 -179.52 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 86' ' ' GLY . . . . . 0.486 ' HA2' ' HG ' ' A' ' 4' ' ' LEU . . . -142.16 169.84 25.22 Favored Glycine 0 N--CA 1.451 -0.331 0 O-C-N 124.083 0.864 . . . . 52.3 111.155 -178.341 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 87' ' ' PRO . . . . . 0.64 ' HD3' ' HG ' ' A' ' 4' ' ' LEU . 15.4 Cg_endo -88.75 129.56 2.14 Favored 'Trans proline' 0 N--CA 1.451 -1.025 0 C-N-CA 122.72 2.28 . . . . 61.3 112.598 -176.024 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 88' ' ' ASN . . . . . . . . . . . . . 52.3 t-20 -70.25 140.29 52.35 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.039 -0.982 . . . . 72.3 108.418 173.309 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -61.36 -19.17 61.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.889 0.376 . . . . 65.22 111.016 -177.567 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -71.08 -18.79 62.53 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 115.938 -0.574 . . . . 74.05 111.178 178.814 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.72 35.53 3.24 Favored Glycine 0 C--O 1.235 0.173 0 CA-C-N 116.01 -0.541 . . . . 72.2 112.614 -179.392 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . -135.19 -170.62 12.19 Favored Glycine 0 N--CA 1.452 -0.286 0 N-CA-C 111.063 -0.815 . . . . 70.13 111.063 175.494 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 93' ' ' PHE . . . . . . . . . . . . . 59.2 m-85 -103.29 151.53 22.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 117.13 0.465 . . . . 73.12 110.379 177.199 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -138.59 131.4 29.42 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.916 -0.583 . . . . 62.21 110.001 -177.655 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -101.71 125.67 48.42 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.084 -0.507 . . . . 74.21 111.002 -178.572 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 96' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -114.78 110.54 19.86 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.31 -0.859 . . . . 73.53 109.317 175.547 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 97' ' ' VAL . . . . . 0.495 HG13 HG13 ' B' ' 134' ' ' VAL . 1.5 p -114.52 117.34 55.3 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 CA-C-O 121.695 0.759 . . . . 65.34 111.231 -176.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -100.56 110.55 22.71 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 114.742 -1.117 . . . . 74.42 109.34 -179.504 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 89.9 mt -94.04 109.8 21.53 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.836 -0.431 . . . . 61.12 109.836 -179.169 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 100' ' ' ARG . . . . . 0.585 ' HA ' ' O ' ' B' ' 137' ' ' VAL . 42.4 ttt180 -99.32 109.58 22.19 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.455 -0.793 . . . . 64.11 109.761 -174.203 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 101' ' ' VAL . . . . . 0.424 HG21 HG22 ' B' ' 115' ' ' VAL . 73.5 t -95.94 112.21 27.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 115.73 -0.668 . . . . 60.12 111.448 -173.129 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 102' ' ' ALA . . . . . 0.513 ' HA ' ' HB3' ' B' ' 139' ' ' ALA . . . -107.74 101.49 10.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.938 0.399 . . . . 53.32 110.463 178.351 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 103' ' ' LEU . . . . . 0.739 HD23 HD22 ' B' ' 106' ' ' LEU . 29.0 tp -118.48 119.21 33.13 Favored Pre-proline 0 C--N 1.326 -0.441 0 N-CA-C 108.737 -0.838 . . . . 72.24 108.737 177.168 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 104' ' ' PRO . . . . . 0.537 ' HG2' ' HB2' ' B' ' 74' ' ' PRO . 39.6 Cg_endo -67.54 144.52 67.1 Favored 'Trans proline' 0 N--CA 1.462 -0.361 0 C-N-CA 122.59 2.193 . . . . 74.24 112.527 -176.227 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 105' ' ' GLY . . . . . . . . . . . . . . . 70.47 13.78 71.38 Favored Glycine 0 CA--C 1.521 0.434 0 CA-C-N 115.27 -0.877 . . . . 72.34 112.865 -178.174 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 106' ' ' LEU . . . . . 0.739 HD22 HD23 ' B' ' 103' ' ' LEU . 38.5 tp -112.96 139.43 48.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.86 0.362 . . . . 60.53 110.831 -177.628 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 107' ' ' ASP . . . . . 0.409 ' HB3' ' H ' ' B' ' 110' ' ' ALA . 1.8 t70 -77.46 166.67 22.8 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 115.928 -0.578 . . . . 63.12 110.584 -179.816 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -68.98 -44.53 72.67 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.407 -0.815 . . . . 34.32 110.142 170.728 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -64.73 -46.51 81.95 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.666 -0.697 . . . . 64.51 110.603 -177.293 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 110' ' ' ALA . . . . . 0.535 ' O ' ' HG ' ' B' ' 114' ' ' LEU . . . -68.7 -43.71 75.48 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.707 -0.679 . . . . 72.03 109.731 179.255 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 111' ' ' ALA . . . . . 0.561 ' O ' HG23 ' B' ' 115' ' ' VAL . . . -54.59 -43.24 71.97 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.124 -0.489 . . . . 64.14 111.079 178.371 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 112' ' ' LYS . . . . . . . . . . . . . 30.8 mmtm -51.02 -49.34 60.66 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 116.18 -0.464 . . . . 74.45 110.929 -179.573 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 113' ' ' THR . . . . . 0.513 HG22 ' O ' ' B' ' 110' ' ' ALA . 2.8 t -74.88 -37.41 62.17 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 116.27 -0.423 . . . . 72.03 110.821 -175.868 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 114' ' ' LEU . . . . . 0.535 ' HG ' ' O ' ' B' ' 110' ' ' ALA . 30.9 mt -61.52 -44.52 96.9 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.188 -0.46 . . . . 70.23 110.978 -178.218 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 115' ' ' VAL . . . . . 0.561 HG23 ' O ' ' B' ' 111' ' ' ALA . 48.7 t -63.4 -41.58 93.24 Favored 'Isoleucine or valine' 0 C--O 1.243 0.722 0 CA-C-O 121.312 0.577 . . . . 63.55 110.164 178.279 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -54.93 -60.15 3.76 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 115.032 -0.985 . . . . 75.43 110.224 -179.762 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 117' ' ' ARG . . . . . 0.504 ' O ' ' HB3' ' B' ' 120' ' ' HIS . 14.1 ptm180 -66.07 -33.99 77.04 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.527 -0.76 . . . . 70.2 111.032 -177.357 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -58.59 -40.23 82.59 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.827 -0.624 . . . . 61.11 110.655 177.226 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 33.2 m-70 -73.55 -6.32 45.8 Favored 'General case' 0 N--CA 1.466 0.344 0 N-CA-C 112.288 0.477 . . . . 74.31 112.288 178.629 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 120' ' ' HIS . . . . . 0.504 ' HB3' ' O ' ' B' ' 117' ' ' ARG . 19.0 t-80 -72.29 -26.26 61.9 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 120.795 0.331 . . . . 61.52 110.507 175.93 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 27.6 m -113.64 21.1 6.39 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.31 0 CA-C-N 116.117 -0.492 . . . . 63.42 110.711 -179.734 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 122' ' ' CYS . . . . . 0.412 ' HA ' ' HD3' ' B' ' 123' ' ' PRO . 39.9 t -65.26 129.16 94.34 Favored Pre-proline 0 CA--C 1.534 0.339 0 CA-C-N 115.712 -0.677 . . . . 74.53 111.204 -177.148 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 123' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' B' ' 122' ' ' CYS . 50.2 Cg_exo -56.35 -50.19 12.78 Favored 'Trans proline' 0 C--N 1.356 0.97 0 C-N-CA 122.758 2.305 . . . . 65.25 111.946 178.863 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 124' ' ' TYR . . . . . 0.612 ' HB3' HG21 ' B' ' 128' ' ' THR . 55.9 m-85 . . . . . 0 CA--C 1.532 0.269 0 N-CA-C 107.971 -1.122 . . . . 65.35 107.971 175.549 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 128' ' ' THR . . . . . 0.612 HG21 ' HB3' ' B' ' 124' ' ' TYR . 0.6 OUTLIER . . . . . 0 CA--C 1.535 0.366 0 CA-C-O 120.808 0.337 . . . . 55.14 110.418 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 129' ' ' ARG . . . . . . . . . . . . . 19.3 ptt85 -117.88 -41.9 2.87 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 121.14 0.495 . . . . 75.21 110.823 -178.15 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 130' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 -77.73 -49.68 13.94 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.698 -0.683 . . . . 74.14 110.545 178.482 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 131' ' ' ASN . . . . . . . . . . . . . 48.5 t30 -72.81 -43.95 62.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 75.43 111.01 -177.429 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 132' ' ' VAL . . . . . . . . . . . . . 55.7 t -82.11 148.11 5.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.973 -0.558 . . . . 52.13 109.583 177.695 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 133' ' ' ALA . . . . . . . . . . . . . . . -77.24 87.31 3.67 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.414 0.626 . . . . 72.23 111.311 -176.883 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 134' ' ' VAL . . . . . 0.495 HG13 HG13 ' B' ' 97' ' ' VAL . 11.3 t -103.98 112.75 38.72 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.654 0 CA-C-N 115.482 -0.781 . . . . 61.1 110.255 172.576 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 3.8 mpt_? -88.73 122.48 32.19 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.017 -0.538 . . . . 74.32 110.252 177.293 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 85.0 mt -88.81 117.01 27.5 Favored 'General case' 0 N--CA 1.447 -0.615 0 CA-C-N 116.063 -0.517 . . . . 72.41 109.963 176.861 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 137' ' ' VAL . . . . . 0.585 ' O ' ' HA ' ' B' ' 100' ' ' ARG . 0.6 OUTLIER -126.66 124.32 64.85 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-N 115.337 -0.847 . . . . 72.22 109.792 -177.48 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 138' ' ' VAL . . . . . . . . . . . . . 2.3 m -90.9 137.7 21.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 N-CA-C 108.943 -0.762 . . . . 70.52 108.943 -179.694 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 139' ' ' ALA . . . . . 0.513 ' HB3' ' HA ' ' B' ' 102' ' ' ALA . . . . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.663 -0.684 . . . . 71.35 111.418 -171.265 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.5 ptm . . . . . 0 N--CA 1.482 1.141 0 N-CA-C 110.232 -0.284 . . . . 71.43 110.232 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' ASN . . . . . 0.48 ' O ' ' HD2' ' B' ' 87' ' ' PRO . 48.2 t30 -99.42 82.51 2.68 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.286 -0.416 . . . . 75.52 110.008 -179.454 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.508 HG21 ' HB2' ' A' ' 6' ' ' LYS . 32.4 mm -65.32 116.17 4.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 121.092 0.472 . . . . 51.02 111.417 178.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.656 ' HG ' ' HD3' ' B' ' 87' ' ' PRO . 85.7 mt -81.43 -37.36 28.21 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.337 -0.847 . . . . 74.21 109.891 177.333 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 28.0 t80 -141.86 134.49 28.37 Favored 'General case' 0 C--O 1.222 -0.36 0 CA-C-N 115.972 -0.558 . . . . 54.43 110.119 -179.567 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.508 ' HB2' HG21 ' A' ' 3' ' ' ILE . 28.5 ttmt -143.34 141.92 31.12 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.192 0.52 . . . . 62.42 110.944 174.594 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.4 HG21 ' HB2' ' B' ' 48' ' ' GLN . 7.7 t -144.0 166.59 24.53 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 114.99 -1.004 . . . . 73.02 109.369 178.151 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.41 ' HA ' ' HA ' ' B' ' 82' ' ' GLU . . . -131.61 146.77 52.37 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 120.996 0.427 . . . . 64.34 111.798 -175.023 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -138.67 124.64 20.0 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.978 -0.555 . . . . 65.14 110.239 176.63 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.548 ' HA ' ' HA ' ' B' ' 80' ' ' THR . 15.3 t -107.17 142.21 37.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.939 0.399 . . . . 73.43 110.287 -178.873 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 41.8 p -124.84 113.56 18.06 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.167 -0.47 . . . . 71.32 110.345 -178.617 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.597 ' HA ' HG22 ' B' ' 78' ' ' THR . 3.1 m -88.8 156.91 18.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.047 -0.524 . . . . 72.12 111.286 -177.598 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -76.31 73.82 1.76 Allowed Glycine 0 N--CA 1.45 -0.385 0 CA-C-N 116.098 -0.501 . . . . 62.44 111.898 173.867 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -71.44 -144.97 0.38 Allowed Glycine 0 CA--C 1.521 0.445 0 C-N-CA 121.353 -0.451 . . . . 62.02 112.401 177.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 5.9 tpp180 -54.05 -49.24 69.43 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-O 120.946 0.403 . . . . 73.04 109.95 179.384 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.525 ' HB3' ' HA ' ' A' ' 31' ' ' SER . 29.2 t70 -125.71 -42.56 1.92 Allowed 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 108.74 -0.837 . . . . 74.22 108.74 167.305 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -166.05 165.57 38.2 Favored Glycine 0 N--CA 1.446 -0.672 0 C-N-CA 120.813 -0.708 . . . . 73.12 112.084 167.276 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.522 ' HA ' ' HA ' ' A' ' 29' ' ' LYS . 43.9 mtt-85 -122.04 171.24 9.11 Favored 'General case' 0 C--N 1.321 -0.645 0 C-N-CA 122.824 0.45 . . . . 73.24 109.881 174.915 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -153.87 123.56 6.72 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 108.943 -0.762 . . . . 71.12 108.943 171.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 32.4 m -140.31 114.24 8.94 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-O 120.693 0.282 . . . . 63.53 110.583 -176.923 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.514 ' HB3' ' N ' ' A' ' 26' ' ' LEU . 29.1 t -71.61 109.45 5.55 Favored 'General case' 0 C--O 1.248 1.003 0 N-CA-C 107.866 -1.161 . . . . 62.3 107.866 174.849 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.46 ' C ' ' H ' ' A' ' 24' ' ' GLN . 49.8 t-80 -56.78 -21.62 29.94 Favored 'General case' 0 N--CA 1.472 0.656 0 O-C-N 125.982 2.051 . . . . 71.44 112.418 -168.471 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.486 ' HB2' ' HG2' ' A' ' 25' ' ' LYS . 1.3 m-20 -79.91 19.81 0.67 Allowed 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 109.283 -0.636 . . . . 73.43 109.283 178.026 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.46 ' H ' ' C ' ' A' ' 22' ' ' HIS . 25.6 mm-40 64.4 20.61 12.23 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 115.335 -0.848 . . . . 72.53 109.999 177.422 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.486 ' HG2' ' HB2' ' A' ' 23' ' ' ASP . 32.0 mmtp -81.97 -35.88 28.52 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 115.088 -0.96 . . . . 73.44 110.034 -179.404 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.514 ' N ' ' HB3' ' A' ' 21' ' ' SER . 54.1 tp -143.57 145.82 32.82 Favored 'General case' 0 CA--C 1.51 -0.589 0 C-N-CA 120.011 -0.675 . . . . 74.42 111.96 -172.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -155.42 91.4 1.32 Allowed 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 114.733 -1.121 . . . . 74.13 110.156 -178.084 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 5.0 m -139.62 178.13 3.91 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.386 0 CA-C-N 115.949 -0.568 . . . . 62.12 111.697 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.522 ' HA ' ' HA ' ' A' ' 18' ' ' ARG . 4.8 ttpp -137.83 144.2 41.36 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.279 -0.873 . . . . 62.42 110.15 -178.93 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.678 ' HA ' ' H ' ' A' ' 44' ' ' THR . 0.0 OUTLIER -126.42 162.62 25.14 Favored 'General case' 0 C--O 1.251 1.15 0 CA-C-O 121.045 0.45 . . . . 64.12 110.959 179.362 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.525 ' HA ' ' HB3' ' A' ' 16' ' ' ASP . 30.9 p -171.07 146.02 2.37 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 115.221 -0.9 . . . . 75.34 110.955 -173.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -76.75 125.58 86.98 Favored Pre-proline 0 C--O 1.24 0.568 0 CA-C-N 116.087 -0.506 . . . . 52.21 110.943 -179.434 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -58.88 147.37 89.53 Favored 'Trans proline' 0 C--N 1.35 0.615 0 C-N-CA 122.733 2.289 . . . . 73.33 111.348 176.241 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 30.6 tpt180 -68.78 -16.7 63.87 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.324 -0.398 . . . . 50.12 110.917 -175.122 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -51.69 -37.36 50.37 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 116.126 -0.488 . . . . 75.14 111.116 178.704 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 54.4 mt -102.23 22.25 13.61 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.881 -0.6 . . . . 63.44 110.625 -176.061 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 79.08 25.69 59.27 Favored Glycine 0 N--CA 1.452 -0.252 0 CA-C-N 115.85 -0.613 . . . . 72.22 111.793 -177.502 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -81.1 -128.99 0.92 Allowed Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 121.156 -0.545 . . . . 73.44 111.841 -178.83 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -128.61 -7.1 5.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 122.65 -0.324 . . . . 63.22 111.412 -179.354 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 59.11 26.63 61.43 Favored Glycine 0 C--N 1.329 0.144 0 C-N-CA 121.13 -0.557 . . . . 45.53 112.687 -178.853 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -79.9 147.27 31.74 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 110.513 -0.18 . . . . 44.21 110.513 -179.771 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -68.83 87.33 0.35 Allowed 'General case' 0 C--O 1.236 0.362 0 CA-C-O 122.157 0.98 . . . . 71.23 110.337 177.742 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -140.26 -144.19 4.45 Favored Glycine 0 C--N 1.311 -0.839 0 CA-C-N 114.353 -1.294 . . . . 55.55 111.604 174.413 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.678 ' H ' ' HA ' ' A' ' 30' ' ' LEU . 85.9 m -143.96 159.88 41.81 Favored 'General case' 0 N--CA 1.444 -0.728 0 N-CA-C 109.815 -0.439 . . . . 74.01 109.815 -179.72 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 44.3 m-20 -91.43 124.88 59.82 Favored Pre-proline 0 C--O 1.236 0.378 0 N-CA-C 109.895 -0.409 . . . . 72.33 109.895 173.148 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -55.21 -34.35 87.68 Favored 'Trans proline' 0 C--N 1.349 0.566 0 C-N-CA 122.786 2.324 . . . . 63.04 112.277 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -58.37 -42.87 87.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.888 -0.597 . . . . 62.13 110.736 179.762 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -65.22 -37.67 87.99 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.943 -0.572 . . . . 72.35 109.706 177.451 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.565 HD12 ' HA3' ' B' ' 53' ' ' GLY . 3.4 tm? -62.4 -48.42 79.79 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 115.469 -0.787 . . . . 71.11 109.979 -178.869 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 62.9 t80 -63.24 -47.08 83.98 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 116.228 -0.442 . . . . 64.45 110.452 177.363 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.419 ' HB2' HG11 ' A' ' 83' ' ' VAL . . . -54.4 -53.11 58.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.946 -0.57 . . . . 52.03 111.65 179.005 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.553 ' HB1' ' HB1' ' B' ' 19' ' ' ALA . . . -65.09 -46.26 81.83 Favored 'General case' 0 C--O 1.237 0.444 0 CA-C-O 121.133 0.492 . . . . 51.43 110.521 -177.866 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.506 ' HA3' HD12 ' B' ' 49' ' ' LEU . . . -60.71 -45.19 96.89 Favored Glycine 0 N--CA 1.447 -0.617 0 CA-C-N 115.486 -0.779 . . . . 45.35 112.612 -179.041 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 7.2 t80 -72.83 -39.53 66.52 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.54 0.17 . . . . 71.4 111.032 -177.691 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.462 ' HB3' ' HB2' ' A' ' 81' ' ' ALA . 61.3 p -62.92 -43.49 98.64 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.882 0.373 . . . . 50.31 110.261 179.708 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.505 ' HB1' HD21 ' B' ' 30' ' ' LEU . . . -70.63 -44.36 67.33 Favored 'General case' 0 CA--C 1.528 0.126 0 CA-C-N 116.021 -0.536 . . . . 72.41 110.442 176.708 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.441 ' SG ' ' HB3' ' B' ' 46' ' ' PRO . 42.5 t -56.43 -35.85 68.31 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 115.84 -0.618 . . . . 74.4 110.455 177.604 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 19.0 t80 -55.59 -31.57 62.34 Favored 'General case' 0 CA--C 1.529 0.135 0 CA-C-N 115.804 -0.635 . . . . 64.12 110.315 -178.311 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 63.4 tp -67.84 -48.5 66.0 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.182 -0.463 . . . . 74.12 110.066 176.617 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.466 ' O ' ' HB3' ' A' ' 63' ' ' LYS . 2.9 m -60.67 -40.59 92.67 Favored 'General case' 0 C--O 1.24 0.567 0 CA-C-O 121.388 0.613 . . . . 74.4 110.167 178.801 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.4 ' O ' HG23 ' A' ' 65' ' ' VAL . . . -62.13 -49.99 73.67 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.656 -0.702 . . . . 64.15 109.92 177.309 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 82.3 mmm -67.55 -20.49 65.41 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.771 -0.65 . . . . 61.32 111.016 178.191 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.466 ' HB3' ' O ' ' A' ' 60' ' ' SER . 7.1 tmtm? -68.06 -48.99 64.07 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 108.841 -0.8 . . . . 62.32 108.841 173.666 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 60.7 t80 -62.51 -40.99 98.5 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 115.888 -0.597 . . . . 70.35 110.246 175.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.4 HG23 ' O ' ' A' ' 61' ' ' ALA . 53.2 t -61.92 -50.38 80.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.017 -0.538 . . . . 51.41 110.744 178.233 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.407 ' HA ' ' HG3' ' A' ' 71' ' ' GLN . . . -56.89 -31.86 65.29 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.985 0.421 . . . . 55.45 110.478 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -68.16 -33.49 78.61 Favored Glycine 0 CA--C 1.517 0.181 0 CA-C-N 115.364 -0.835 . . . . 65.01 112.32 -177.727 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 9.5 pt20 -94.37 -19.15 20.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.208 0.528 . . . . 73.33 109.626 -178.39 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 16.0 m-80 -93.76 2.59 56.21 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.395 -0.82 . . . . 73.35 110.751 -179.192 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 22.5 mmtm 63.0 28.3 16.2 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 115.385 -0.825 . . . . 70.5 111.119 172.019 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.407 ' HG3' ' HA ' ' A' ' 66' ' ' ALA . 2.4 pt20 -122.06 168.61 11.74 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.064 -0.516 . . . . 65.11 110.782 -177.681 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 15.9 p -124.89 142.33 51.52 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.78 -0.645 . . . . 71.13 110.171 178.18 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 95.3 mt -109.22 141.38 23.36 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.407 -0.36 . . . . 63.13 110.304 -179.503 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.437 ' O ' HG22 ' A' ' 77' ' ' THR . 33.0 Cg_endo -64.52 121.75 9.42 Favored 'Trans proline' 0 C--N 1.348 0.548 0 C-N-CA 122.62 2.213 . . . . 75.32 111.967 179.113 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -77.1 1.62 17.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.929 0.395 . . . . 74.43 111.774 -177.806 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -90.9 0.43 57.5 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.314 0.578 . . . . 72.44 110.637 -179.102 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.558 ' HA ' ' HD3' ' A' ' 104' ' ' PRO . 4.2 t -69.65 160.5 31.47 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.593 -0.73 . . . . 73.42 112.493 -174.215 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 27.7 m -143.26 149.3 37.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 114.882 -1.054 . . . . 65.01 109.407 177.527 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 60.1 t -129.31 149.65 33.87 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 N-CA-C 109.095 -0.705 . . . . 73.54 109.095 179.697 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 48.0 m -135.74 111.87 9.67 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.989 0.423 . . . . 61.0 110.54 172.128 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.462 ' HB2' ' HB3' ' A' ' 55' ' ' SER . . . -93.07 108.89 20.38 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.413 -0.588 . . . . 75.0 109.413 176.475 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.484 ' HG2' ' HD3' ' B' ' 6' ' ' LYS . 41.0 tt0 -109.94 107.62 17.6 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.803 -0.444 . . . . 74.0 109.803 -176.923 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.615 HG12 HG13 ' A' ' 97' ' ' VAL . 30.0 m -108.89 145.79 15.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.834 0.35 . . . . 74.25 110.99 -176.388 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.483 ' HA2' ' HA ' ' B' ' 6' ' ' LYS . . . -139.28 163.71 25.99 Favored Glycine 0 N--CA 1.446 -0.691 0 C-N-CA 121.274 -0.489 . . . . 64.22 112.014 -179.621 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -135.84 130.75 49.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 N-CA-C 108.916 -0.772 . . . . 71.32 108.916 179.496 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -151.7 169.76 31.17 Favored Glycine 0 N--CA 1.453 -0.183 0 CA-C-N 115.459 -0.791 . . . . 64.2 111.463 -179.456 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.734 ' HD3' ' HG ' ' B' ' 4' ' ' LEU . 6.3 Cg_exo -77.44 121.23 5.54 Favored 'Trans proline' 0 N--CA 1.46 -0.489 0 C-N-CA 122.865 2.376 . . . . 75.13 111.939 -178.578 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' ASN . . . . . 0.542 ' HB2' ' HB2' ' A' ' 94' ' ' ALA . 24.9 t-20 -74.09 151.82 40.05 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.136 -0.483 . . . . 63.43 109.783 177.733 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -60.56 -13.56 14.86 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 116.343 -0.389 . . . . 74.31 111.766 -178.587 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -68.99 -27.31 65.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.068 0.461 . . . . 62.35 111.111 176.346 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.03 35.25 3.48 Favored Glycine 0 N--CA 1.454 -0.146 0 N-CA-C 111.16 -0.776 . . . . 52.42 111.16 -172.768 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' GLY . . . . . 0.459 ' O ' ' HA ' ' A' ' 87' ' ' PRO . . . -145.86 -158.71 7.83 Favored Glycine 0 CA--C 1.51 -0.28 0 N-CA-C 111.048 -0.821 . . . . 74.12 111.048 179.804 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 29.8 m-85 -99.51 160.03 14.59 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 117.377 0.589 . . . . 72.25 110.781 178.192 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.542 ' HB2' ' HB2' ' A' ' 88' ' ' ASN . . . -150.71 136.71 18.36 Favored 'General case' 0 C--O 1.239 0.505 0 CA-C-N 115.869 -0.605 . . . . 73.43 109.979 176.038 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -97.49 123.44 41.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.908 -0.587 . . . . 75.45 110.19 177.724 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.411 ' HB3' HD11 ' B' ' 3' ' ' ILE . 27.3 t70 -109.99 110.65 21.64 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.297 -0.865 . . . . 62.1 109.334 178.566 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.615 HG13 HG12 ' A' ' 83' ' ' VAL . 61.3 t -108.47 110.52 32.3 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.929 0 CA-C-N 115.997 -0.547 . . . . 41.42 110.722 -175.937 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -98.27 106.47 18.77 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.7 -0.482 . . . . 51.52 109.7 175.085 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 27.4 tp -93.94 110.17 21.86 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.091 -0.504 . . . . 73.33 109.843 -178.839 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.585 ' HA ' ' O ' ' A' ' 137' ' ' VAL . 28.9 ttm180 -99.58 116.89 32.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.63 -0.714 . . . . 73.43 110.454 -177.2 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.434 HG12 ' CD2' ' A' ' 103' ' ' LEU . 34.3 t -112.83 104.0 16.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.357 -0.383 . . . . 72.23 110.675 -174.26 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -105.91 101.67 11.15 Favored 'General case' 0 N--CA 1.466 0.332 0 N-CA-C 112.088 0.403 . . . . 73.1 112.088 -174.178 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.637 ' HB2' HD23 ' A' ' 106' ' ' LEU . 4.0 mm? -101.18 133.68 20.81 Favored Pre-proline 0 N--CA 1.466 0.338 0 CA-C-N 115.935 -0.575 . . . . 73.31 109.797 174.156 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 104' ' ' PRO . . . . . 0.558 ' HD3' ' HA ' ' A' ' 77' ' ' THR . 74.4 Cg_endo -76.2 148.71 31.09 Favored 'Trans proline' 0 N--CA 1.459 -0.517 0 C-N-CA 122.715 2.277 . . . . 73.52 111.945 177.521 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 64.42 14.57 57.51 Favored Glycine 0 CA--C 1.524 0.63 0 CA-C-N 115.332 -0.849 . . . . 54.45 112.869 -178.654 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.637 HD23 ' HB2' ' A' ' 103' ' ' LEU . 40.5 tp -118.74 138.87 52.36 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-O 120.974 0.416 . . . . 65.03 110.67 -178.738 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -76.48 161.22 28.81 Favored 'General case' 0 CA--C 1.509 -0.628 0 CA-C-N 115.765 -0.652 . . . . 72.42 110.218 178.416 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.576 ' O ' ' HG3' ' A' ' 112' ' ' LYS . . . -68.13 -43.71 77.76 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 115.542 -0.753 . . . . 74.35 109.645 170.112 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -57.64 -51.01 71.25 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 115.801 -0.636 . . . . 64.13 110.844 -178.184 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 0.468 ' O ' HG22 ' A' ' 113' ' ' THR . . . -68.34 -43.18 78.09 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 115.936 -0.574 . . . . 73.25 110.004 179.143 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -55.26 -35.32 64.88 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 115.757 -0.656 . . . . 54.13 111.694 178.673 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 112' ' ' LYS . . . . . 0.576 ' HG3' ' O ' ' A' ' 108' ' ' ALA . 68.3 mttm -52.11 -45.62 64.96 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-O 120.534 0.207 . . . . 74.23 111.106 178.455 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 113' ' ' THR . . . . . 0.468 HG22 ' O ' ' A' ' 110' ' ' ALA . 1.6 t -82.2 -37.89 25.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.45 -0.341 . . . . 74.22 110.558 -177.468 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.453 ' HG ' ' O ' ' A' ' 110' ' ' ALA . 44.7 mt -63.17 -50.07 71.82 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-O 120.942 0.401 . . . . 61.01 110.584 -177.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 97.6 t -65.07 -33.08 61.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.918 -0.583 . . . . 72.22 110.086 178.562 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -60.87 -61.01 2.9 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-O 120.926 0.393 . . . . 63.5 110.909 179.537 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 117' ' ' ARG . . . . . 0.453 ' HG2' ' O ' ' A' ' 113' ' ' THR . 13.7 ptm180 -62.09 -40.96 97.6 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.54 -0.754 . . . . 65.24 110.739 -178.14 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -59.89 -44.48 94.2 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.239 0.542 . . . . 63.41 110.061 176.372 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 119' ' ' HIS . . . . . 0.628 ' CE1' HG23 ' A' ' 128' ' ' THR . 43.5 t-80 -79.76 10.01 4.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.496 -0.775 . . . . 74.13 110.522 -179.612 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 6.2 t60 -108.7 -42.79 4.42 Favored 'General case' 0 C--N 1.333 -0.137 0 N-CA-C 109.806 -0.442 . . . . 75.14 109.806 173.584 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 34.3 m -82.79 -33.9 11.11 Favored 'Isoleucine or valine' 0 C--O 1.234 0.251 0 CA-C-N 115.997 -0.547 . . . . 74.54 112.069 -175.134 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 122' ' ' CYS . . . . . 0.55 ' O ' ' HB2' ' A' ' 125' ' ' SER . 74.7 m -68.3 149.51 98.05 Favored Pre-proline 0 CA--C 1.532 0.267 0 CA-C-N 116.869 -0.15 . . . . 72.12 110.601 179.301 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -65.73 171.26 9.96 Favored 'Trans proline' 0 C--N 1.352 0.729 0 C-N-CA 122.582 2.188 . . . . 74.45 112.525 -178.696 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 68.04 4.75 4.22 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 123.382 0.673 . . . . 65.44 109.835 -176.092 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 125' ' ' SER . . . . . 0.627 ' O ' ' HG2' ' A' ' 129' ' ' ARG . 41.3 t -58.63 -53.48 57.91 Favored 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 123.731 0.812 . . . . 62.44 112.571 -169.683 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 29.9 p-10 -69.52 -35.9 75.91 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.208 0.527 . . . . 73.42 110.105 -170.145 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -83.25 5.33 23.38 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.459 -0.791 . . . . 54.1 111.292 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 128' ' ' THR . . . . . 0.628 HG23 ' CE1' ' A' ' 119' ' ' HIS . 1.7 t -129.23 11.41 5.92 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.071 0.462 . . . . 73.21 110.752 -175.317 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 129' ' ' ARG . . . . . 0.627 ' HG2' ' O ' ' A' ' 125' ' ' SER . 15.1 ptm180 -153.06 -43.73 0.1 Allowed 'General case' 0 N--CA 1.446 -0.639 0 CA-C-O 120.897 0.379 . . . . 72.04 111.292 170.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 82.7 m-20 -78.66 -50.35 11.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.291 -0.413 . . . . 71.52 111.056 -175.911 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -89.52 -27.38 20.33 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.126 -0.488 . . . . 72.12 111.831 -173.248 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 59.3 t -123.52 145.73 30.05 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.248 0 CA-C-O 120.666 0.269 . . . . 70.22 110.601 -173.714 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -75.57 92.03 2.88 Favored 'General case' 0 C--O 1.238 0.494 0 CA-C-O 121.631 0.729 . . . . 45.42 111.396 -176.869 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 134' ' ' VAL . . . . . 0.55 HG22 ' HB ' ' A' ' 97' ' ' VAL . 61.3 t -119.75 109.61 26.71 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.57 0 CA-C-N 114.844 -1.071 . . . . 75.02 110.507 177.569 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 8.2 mmm-85 -80.8 114.06 19.43 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.631 -0.713 . . . . 72.41 109.365 178.141 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.519 HD11 ' ND1' ' A' ' 119' ' ' HIS . 16.6 mt -84.47 101.88 12.38 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.19 0.519 . . . . 50.04 110.6 179.686 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 137' ' ' VAL . . . . . 0.585 ' O ' ' HA ' ' A' ' 100' ' ' ARG . 0.2 OUTLIER -105.43 112.45 38.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 115.494 -0.775 . . . . 74.42 109.614 178.247 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 4.1 m -91.26 139.05 18.37 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-N 115.523 -0.762 . . . . 53.11 109.958 -177.875 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.312 -1.042 0 CA-C-N 115.677 -0.692 . . . . 73.13 110.861 -176.012 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 1' ' ' MET . . . . . 0.511 ' HE3' HD13 ' B' ' 3' ' ' ILE . 19.8 ptt? . . . . . 0 C--O 1.236 0.345 0 CA-C-O 121.116 0.484 . . . . 72.42 110.899 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 55.2 t30 -78.34 70.35 4.68 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.791 -0.64 . . . . 61.35 110.501 178.138 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 3' ' ' ILE . . . . . 0.577 HG21 ' HB2' ' B' ' 6' ' ' LYS . 28.6 mm -62.84 137.84 23.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 115.691 -0.686 . . . . 72.42 111.226 176.205 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.734 ' HG ' ' HD3' ' A' ' 87' ' ' PRO . 94.4 mt -90.46 -47.15 7.89 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.797 -0.638 . . . . 75.25 109.871 174.913 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 5' ' ' TYR . . . . . . . . . . . . . 39.5 t80 -136.78 128.12 28.25 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 116.033 -0.531 . . . . 75.45 110.158 -179.005 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 6' ' ' LYS . . . . . 0.577 ' HB2' HG21 ' B' ' 3' ' ' ILE . 31.8 ttmt -133.24 128.91 36.9 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.202 0.525 . . . . 65.01 110.711 178.042 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 8.5 t -119.95 138.14 53.64 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.619 -0.719 . . . . 72.52 109.543 -179.597 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 8' ' ' ALA . . . . . 0.475 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . . . -114.82 136.05 53.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.32 -0.4 . . . . 64.22 110.823 -177.094 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 9' ' ' ALA . . . . . 0.683 ' HA ' ' HA ' ' B' ' 21' ' ' SER . . . -127.03 120.89 30.1 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.089 0.471 . . . . 31.45 110.861 179.583 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 60.9 m -96.85 114.02 25.61 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.565 -0.743 . . . . 64.31 110.037 -179.617 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 11' ' ' SER . . . . . 0.422 ' HA ' ' O ' ' B' ' 18' ' ' ARG . 11.8 p -106.12 113.48 27.04 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.845 -0.616 . . . . 74.14 110.477 178.415 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 3.2 m -93.11 156.24 16.98 Favored 'General case' 0 C--O 1.241 0.637 0 CA-C-N 115.92 -0.582 . . . . 53.42 110.875 -179.134 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -78.06 74.39 2.03 Favored Glycine 0 N--CA 1.446 -0.689 0 CA-C-N 115.909 -0.587 . . . . 71.12 111.94 175.483 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -67.78 -138.89 0.06 OUTLIER Glycine 0 CA--C 1.521 0.426 0 C-N-CA 121.347 -0.454 . . . . 73.4 112.098 175.629 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 18.0 mmm180 -65.43 -50.6 64.81 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 117.225 0.512 . . . . 65.14 110.623 176.707 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 16' ' ' ASP . . . . . 0.513 ' HB3' ' HA ' ' B' ' 31' ' ' SER . 10.4 t70 -125.72 -43.12 1.88 Allowed 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.129 -0.693 . . . . 65.33 109.129 172.056 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 17' ' ' GLY . . . . . 0.405 ' HA3' ' CD2' ' B' ' 30' ' ' LEU . . . -164.89 151.85 21.09 Favored Glycine 0 C--N 1.342 0.9 0 C-N-CA 120.204 -0.998 . . . . 74.22 111.768 163.534 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 18' ' ' ARG . . . . . 0.422 ' O ' ' HA ' ' B' ' 11' ' ' SER . 26.1 tpt85 -132.02 100.99 5.24 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.769 -0.456 . . . . 74.4 109.769 -179.528 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 19' ' ' ALA . . . . . 0.553 ' HB1' ' HB1' ' A' ' 52' ' ' ALA . . . -99.5 124.03 44.3 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 120.558 0.218 . . . . 64.21 110.444 -174.24 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 30.2 m -138.46 112.31 8.4 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 110.483 -0.191 . . . . 75.11 110.483 -177.812 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 21' ' ' SER . . . . . 0.683 ' HA ' ' HA ' ' B' ' 9' ' ' ALA . 13.1 t -65.21 107.21 1.51 Allowed 'General case' 0 C--O 1.245 0.851 0 N-CA-C 106.697 -1.594 . . . . 74.21 106.697 179.096 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 22' ' ' HIS . . . . . 0.479 ' H ' ' HA ' ' B' ' 9' ' ' ALA . 39.8 t-80 -55.0 -26.3 36.03 Favored 'General case' 0 C--N 1.348 0.501 0 O-C-N 126.462 2.351 . . . . 73.12 112.644 -165.195 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -80.48 17.27 1.12 Allowed 'General case' 0 C--N 1.317 -0.815 0 CA-C-O 121.292 0.568 . . . . 63.54 109.907 178.66 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 28.1 mm-40 68.38 29.78 5.68 Favored 'General case' 0 CA--C 1.518 -0.276 0 CA-C-N 114.783 -1.099 . . . . 71.43 110.565 173.392 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 8.2 mtmp? -103.23 -11.0 18.3 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 115.665 -0.698 . . . . 41.25 112.157 176.439 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 26' ' ' LEU . . . . . 0.625 ' HB3' ' HB2' ' B' ' 21' ' ' SER . 50.1 tp -150.16 148.56 29.1 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 119.582 -0.847 . . . . 71.52 110.95 173.142 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -158.34 91.0 1.06 Allowed 'General case' 0 CA--C 1.536 0.415 0 O-C-N 123.497 0.498 . . . . 53.33 110.403 178.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 4.9 m -143.28 177.91 2.27 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.441 0 CA-C-O 121.686 0.755 . . . . 74.12 112.175 178.712 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -126.48 146.48 50.09 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 114.752 -1.113 . . . . 64.31 109.728 179.333 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 30' ' ' LEU . . . . . 0.892 ' HA ' ' H ' ' B' ' 44' ' ' THR . 0.0 OUTLIER -129.05 166.07 19.94 Favored 'General case' 0 C--O 1.253 1.251 0 CA-C-O 120.65 0.262 . . . . 72.32 110.446 176.257 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 31' ' ' SER . . . . . 0.513 ' HA ' ' HB3' ' B' ' 16' ' ' ASP . 29.9 m -155.05 135.56 13.39 Favored 'General case' 0 N--CA 1.455 -0.195 0 CA-C-N 115.562 -0.744 . . . . 62.35 111.115 -174.337 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -74.72 130.38 81.58 Favored Pre-proline 0 C--O 1.239 0.526 0 CA-C-N 116.288 -0.414 . . . . 75.13 110.463 175.865 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 33' ' ' PRO . . . . . 0.596 ' HG2' HD23 ' B' ' 36' ' ' LEU . 9.9 Cg_endo -51.33 122.26 9.82 Favored 'Trans proline' 0 C--N 1.351 0.664 0 C-N-CA 122.671 2.247 . . . . 71.3 111.532 179.36 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 34' ' ' ARG . . . . . 0.512 ' HB2' ' HA2' ' B' ' 40' ' ' GLY . 0.6 OUTLIER -51.04 -37.21 44.02 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 115.409 -0.814 . . . . 71.43 110.934 -174.393 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -50.6 -38.18 44.23 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 115.932 -0.576 . . . . 72.42 112.509 -172.013 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.596 HD23 ' HG2' ' B' ' 33' ' ' PRO . 1.7 mm? -88.58 -26.53 21.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.779 0.323 . . . . 63.52 110.573 -174.38 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 135.67 44.67 0.1 OUTLIER Glycine 0 C--N 1.331 0.251 0 C-N-CA 121.13 -0.557 . . . . 51.22 112.592 179.154 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -100.37 -137.25 9.71 Favored Glycine 0 N--CA 1.445 -0.747 0 N-CA-C 111.294 -0.723 . . . . 64.12 111.294 178.457 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -116.48 -8.19 11.59 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 120.805 0.336 . . . . 71.25 111.576 -177.177 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 40' ' ' GLY . . . . . 0.512 ' HA2' ' HB2' ' B' ' 34' ' ' ARG . . . 64.5 24.65 69.53 Favored Glycine 0 C--N 1.333 0.395 0 C-N-CA 121.108 -0.568 . . . . 53.13 112.762 -176.392 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -78.56 161.63 26.87 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.747 0.308 . . . . 45.11 110.873 -177.522 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -87.91 37.21 0.79 Allowed 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 116.246 -0.434 . . . . 74.14 112.061 -173.199 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -97.7 -162.23 31.22 Favored Glycine 0 CA--C 1.521 0.416 0 C-N-CA 121.195 -0.526 . . . . 72.12 112.527 178.77 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 44' ' ' THR . . . . . 0.892 ' H ' ' HA ' ' B' ' 30' ' ' LEU . 62.0 m -98.5 133.03 43.44 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 110.276 -0.268 . . . . 35.03 110.276 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 45' ' ' ASN . . . . . 0.579 ' HB2' ' HB3' ' B' ' 48' ' ' GLN . 2.4 m-20 -61.62 141.51 94.81 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 116.92 -0.127 . . . . 71.14 111.105 -179.221 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 46' ' ' PRO . . . . . 0.441 ' HB3' ' SG ' ' A' ' 57' ' ' CYS . 26.4 Cg_exo -63.58 -55.32 0.72 Allowed 'Trans proline' 0 C--N 1.35 0.641 0 C-N-CA 123.225 2.617 . . . . 54.41 112.913 -178.318 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 47' ' ' GLU . . . . . 0.465 ' OE1' ' HB3' ' B' ' 45' ' ' ASN . 1.4 pm0 -65.2 -35.51 81.28 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-O 121.158 0.504 . . . . 73.03 110.092 -178.606 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 48' ' ' GLN . . . . . 0.579 ' HB3' ' HB2' ' B' ' 45' ' ' ASN . 24.6 tt0 -60.7 -40.33 91.86 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.57 -0.741 . . . . 65.22 110.128 173.892 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 49' ' ' LEU . . . . . 0.506 HD12 ' HA3' ' A' ' 53' ' ' GLY . 3.4 tm? -64.82 -50.97 64.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.196 -0.911 . . . . 73.15 110.238 -178.595 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 35.5 t80 -59.47 -49.79 76.42 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.398 -0.364 . . . . 74.53 110.585 178.889 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -53.16 -50.39 64.69 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.294 -0.412 . . . . 63.22 111.205 178.613 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.34 -49.04 79.34 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-N 116.069 -0.514 . . . . 74.31 111.136 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 53' ' ' GLY . . . . . 0.565 ' HA3' HD12 ' A' ' 49' ' ' LEU . . . -64.82 -36.52 93.2 Favored Glycine 0 N--CA 1.451 -0.339 0 CA-C-N 115.843 -0.617 . . . . 73.22 112.168 -179.053 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -70.83 -35.9 72.67 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.717 -0.475 . . . . 73.14 109.717 179.671 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 10.3 t -63.81 -50.92 67.04 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 116.059 -0.519 . . . . 71.55 109.65 178.106 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.92 -41.12 95.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.671 -0.695 . . . . 72.32 110.763 179.245 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 57' ' ' CYS . . . . . . . . . . . . . 51.9 t -63.43 -38.02 89.52 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.892 -0.594 . . . . 72.4 109.98 178.426 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 27.2 t80 -67.0 -35.37 79.8 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.01 -0.541 . . . . 52.32 109.615 -178.069 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 59' ' ' LEU . . . . . 0.415 ' O ' ' HG3' ' B' ' 63' ' ' LYS . 60.5 tp -64.24 -54.18 37.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.608 -0.724 . . . . 64.41 110.531 178.139 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 60' ' ' SER . . . . . 0.659 ' HA ' ' HD3' ' B' ' 63' ' ' LYS . 9.5 t -65.17 -41.71 94.41 Favored 'General case' 0 C--O 1.238 0.457 0 CA-C-O 121.122 0.487 . . . . 73.23 110.394 -178.226 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 61' ' ' ALA . . . . . 0.446 ' O ' HG23 ' B' ' 65' ' ' VAL . . . -59.63 -45.13 92.87 Favored 'General case' 0 C--N 1.334 -0.104 0 CA-C-N 115.968 -0.56 . . . . 44.1 110.225 177.305 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 62' ' ' MET . . . . . 0.448 ' HG3' ' CD2' ' B' ' 73' ' ' LEU . 5.3 tpt -56.63 -39.09 73.04 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 115.849 -0.614 . . . . 71.0 110.212 177.239 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 63' ' ' LYS . . . . . 0.659 ' HD3' ' HA ' ' B' ' 60' ' ' SER . 56.1 mtpt -62.41 -51.98 65.37 Favored 'General case' 0 CA--C 1.53 0.178 0 CA-C-N 115.828 -0.623 . . . . 72.03 110.67 178.049 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 47.2 t80 -63.17 -37.29 86.64 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 121.017 0.436 . . . . 73.11 110.646 179.634 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 65' ' ' VAL . . . . . 0.446 HG23 ' O ' ' B' ' 61' ' ' ALA . 38.4 t -59.05 -43.08 88.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.048 -0.524 . . . . 75.05 110.152 176.596 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -58.84 -31.54 68.6 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.073 -0.512 . . . . 74.13 110.515 177.406 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -71.16 -29.86 68.19 Favored Glycine 0 C--N 1.329 0.192 0 CA-C-N 115.495 -0.775 . . . . 75.04 112.222 -177.227 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -97.25 -14.5 21.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.223 0.535 . . . . 64.5 109.702 179.624 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 11.4 m-80 -95.62 -1.53 50.06 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.421 -0.809 . . . . 65.21 110.813 176.299 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 61.24 29.59 18.78 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 115.95 -0.568 . . . . 73.12 111.422 174.362 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -118.65 166.21 13.02 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.574 -0.739 . . . . 74.24 110.397 179.62 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 15.4 p -126.83 125.82 42.31 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.053 -0.521 . . . . 74.12 111.176 -176.813 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 73' ' ' LEU . . . . . 0.448 ' CD2' ' HG3' ' B' ' 62' ' ' MET . 0.2 OUTLIER -109.82 140.92 22.71 Favored Pre-proline 0 C--N 1.326 -0.44 0 CA-C-N 115.985 -0.552 . . . . 75.15 111.27 179.457 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 74' ' ' PRO . . . . . 0.619 ' HD2' HD11 ' B' ' 103' ' ' LEU . 32.5 Cg_exo -60.73 120.74 8.64 Favored 'Trans proline' 0 C--N 1.349 0.584 0 C-N-CA 122.764 2.309 . . . . 62.01 111.399 172.387 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -77.01 -4.4 43.93 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.016 0.376 . . . . 71.53 112.016 -176.237 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -80.99 1.96 28.97 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-O 121.351 0.596 . . . . 60.22 110.932 -179.515 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 77' ' ' THR . . . . . 0.512 ' HB ' HD22 ' B' ' 103' ' ' LEU . 3.2 t -69.61 167.63 16.49 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.597 -0.729 . . . . 73.25 112.439 -176.148 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 78' ' ' THR . . . . . 0.597 HG22 ' HA ' ' A' ' 12' ' ' THR . 1.2 p -138.34 149.51 45.68 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.133 -0.94 . . . . 71.23 110.064 176.22 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 91.5 t -129.27 120.13 50.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 N-CA-C 109.409 -0.589 . . . . 54.24 109.409 175.129 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 80' ' ' THR . . . . . 0.548 ' HA ' ' HA ' ' A' ' 10' ' ' THR . 8.0 m -111.11 110.79 21.47 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 116.288 -0.414 . . . . 72.42 110.756 -177.443 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -92.92 106.81 18.72 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.093 -0.503 . . . . 73.43 109.679 177.775 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 82' ' ' GLU . . . . . 0.41 ' HA ' ' HA ' ' A' ' 8' ' ' ALA . 31.8 tt0 -98.59 107.72 20.24 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 108.817 -0.808 . . . . 71.23 108.817 178.381 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 7.4 p -103.86 134.61 44.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.044 -0.526 . . . . 71.44 111.196 -173.043 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 84' ' ' GLY . . . . . . . . . . . . . . . -127.28 167.2 19.76 Favored Glycine 0 N--CA 1.443 -0.881 0 CA-C-N 115.724 -0.671 . . . . 52.45 111.661 175.608 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -146.7 135.4 16.0 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.816 0 N-CA-C 109.272 -0.64 . . . . 73.1 109.272 178.394 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -155.25 169.65 33.25 Favored Glycine 0 N--CA 1.452 -0.26 0 N-CA-C 111.081 -0.808 . . . . 52.3 111.081 -178.901 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 87' ' ' PRO . . . . . 0.656 ' HD3' ' HG ' ' A' ' 4' ' ' LEU . 94.3 Cg_endo -82.44 142.09 11.61 Favored 'Trans proline' 0 N--CA 1.455 -0.786 0 C-N-CA 122.326 2.017 . . . . 61.3 112.786 -176.513 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 88' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -84.67 155.33 22.0 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.686 -0.857 . . . . 72.3 108.686 173.056 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -63.96 -11.48 28.99 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 120.689 0.28 . . . . 65.22 111.724 -176.572 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -71.01 -27.34 63.61 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-O 121.178 0.513 . . . . 74.05 110.484 175.546 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.19 34.16 3.76 Favored Glycine 0 N--CA 1.455 -0.099 0 CA-C-N 115.587 -0.733 . . . . 72.2 111.79 -175.367 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 92' ' ' GLY . . . . . 0.46 ' O ' ' HA ' ' B' ' 87' ' ' PRO . . . -134.3 -169.52 12.03 Favored Glycine 0 C--O 1.229 -0.213 0 N-CA-C 110.694 -0.962 . . . . 70.13 110.694 177.512 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 93' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -98.48 153.16 18.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 117.576 0.688 . . . . 73.12 111.124 179.446 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -143.19 139.82 30.48 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.533 -0.758 . . . . 62.21 109.314 178.914 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -103.45 145.42 30.03 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-O 121.147 0.499 . . . . 74.21 111.429 -175.32 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 96' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -126.86 133.68 50.67 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 114.97 -1.014 . . . . 73.53 109.241 -179.49 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 97' ' ' VAL . . . . . 0.532 ' HB ' HG22 ' B' ' 134' ' ' VAL . 61.3 t -137.74 110.95 7.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.81 0.338 . . . . 65.34 110.277 178.901 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 98' ' ' GLU . . . . . 0.456 ' HG2' ' HB2' ' B' ' 135' ' ' ARG . 40.6 mt-10 -98.62 111.75 24.02 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.709 -0.478 . . . . 74.42 109.709 176.559 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 88.3 mt -93.67 106.99 18.92 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 116.353 -0.385 . . . . 61.12 109.974 -178.174 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 100' ' ' ARG . . . . . 0.611 ' HA ' ' O ' ' B' ' 137' ' ' VAL . 77.8 ttt180 -99.53 106.89 18.94 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.537 -0.756 . . . . 64.11 110.475 -174.417 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 101' ' ' VAL . . . . . . . . . . . . . 84.9 t -97.49 99.44 8.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 116.434 -0.348 . . . . 60.12 110.54 -175.177 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 102' ' ' ALA . . . . . 0.513 ' HA ' ' HB3' ' B' ' 139' ' ' ALA . . . -91.95 101.21 13.77 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.357 -0.609 . . . . 53.32 109.357 178.442 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 103' ' ' LEU . . . . . 0.619 HD11 ' HD2' ' B' ' 74' ' ' PRO . 0.3 OUTLIER -112.68 118.59 44.79 Favored Pre-proline 0 C--N 1.326 -0.428 0 CA-C-N 115.521 -0.763 . . . . 72.24 109.423 -174.745 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 104' ' ' PRO . . . . . 0.474 ' HD2' HD13 ' B' ' 103' ' ' LEU . 65.2 Cg_endo -72.7 150.06 49.76 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.456 2.104 . . . . 74.24 112.524 179.183 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 105' ' ' GLY . . . . . . . . . . . . . . . 64.72 15.21 59.51 Favored Glycine 0 CA--C 1.521 0.412 0 CA-C-N 115.548 -0.751 . . . . 72.34 113.224 179.432 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 106' ' ' LEU . . . . . 0.444 HD23 ' HB3' ' B' ' 103' ' ' LEU . 31.9 tp -124.77 137.0 54.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.112 0.482 . . . . 60.53 110.952 -178.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -80.58 145.9 31.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.303 -0.862 . . . . 63.12 110.454 176.718 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 108' ' ' ALA . . . . . 0.467 ' O ' ' HG3' ' B' ' 112' ' ' LYS . . . -61.71 -37.4 84.02 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.515 -0.311 . . . . 34.32 111.058 -179.552 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -56.28 -46.21 79.82 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-N 116.14 -0.482 . . . . 64.51 110.937 -179.408 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 110' ' ' ALA . . . . . 0.57 ' O ' HG22 ' B' ' 113' ' ' THR . . . -77.75 -38.67 46.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.801 -0.636 . . . . 72.03 110.32 178.66 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 111' ' ' ALA . . . . . 0.421 ' HA ' HD21 ' B' ' 106' ' ' LEU . . . -54.76 -39.03 67.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.815 -0.63 . . . . 64.14 111.1 -178.64 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 112' ' ' LYS . . . . . 0.467 ' HG3' ' O ' ' B' ' 108' ' ' ALA . 98.6 mttt -58.08 -44.3 87.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.107 -0.497 . . . . 74.45 110.978 178.66 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 113' ' ' THR . . . . . 0.57 HG22 ' O ' ' B' ' 110' ' ' ALA . 1.1 t -73.03 -34.62 66.45 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 121.018 -0.273 . . . . 72.03 110.308 -177.846 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 114' ' ' LEU . . . . . 0.441 ' HG ' ' O ' ' B' ' 110' ' ' ALA . 52.9 mt -65.27 -49.9 67.79 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 116.388 -0.369 . . . . 70.23 110.419 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 115' ' ' VAL . . . . . . . . . . . . . 90.8 t -64.33 -37.39 79.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.043 -0.526 . . . . 63.55 110.327 178.437 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -58.77 -56.38 23.01 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 116.153 -0.476 . . . . 75.43 110.658 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 117' ' ' ARG . . . . . 0.42 HH11 ' HD3' ' B' ' 117' ' ' ARG . 1.9 ptm180 -65.71 -42.57 90.98 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-N 116.189 -0.459 . . . . 70.2 110.935 -177.184 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -59.99 -47.59 85.21 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 121.243 0.544 . . . . 61.11 110.854 -179.591 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 19.9 t60 -73.1 -10.91 60.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.514 -0.766 . . . . 74.31 110.784 -178.084 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 58.1 t-80 -96.71 -45.86 6.51 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.351 -0.386 . . . . 61.52 111.198 -178.389 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 35.4 m -69.79 -35.49 65.46 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.24 0 CA-C-N 116.085 -0.507 . . . . 63.42 111.603 -174.783 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 122' ' ' CYS . . . . . . . . . . . . . 52.9 t -153.8 79.62 5.22 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 120.879 0.371 . . . . 74.53 111.522 -179.155 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 123' ' ' PRO . . . . . . . . . . . . . 96.5 Cg_endo -88.33 163.36 6.87 Favored 'Trans proline' 0 N--CA 1.456 -0.695 0 C-N-CA 122.703 2.269 . . . . 65.25 110.908 171.15 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 124' ' ' TYR . . . . . 0.408 ' O ' ' HB ' ' B' ' 128' ' ' THR . 2.1 t80 . . . . . 0 C--N 1.331 -0.219 0 N-CA-C 108.313 -0.995 . . . . 65.35 108.313 174.636 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 128' ' ' THR . . . . . 0.408 ' HB ' ' O ' ' B' ' 124' ' ' TYR . 5.9 t . . . . . 0 CA--C 1.516 -0.362 0 N-CA-C 108.497 -0.927 . . . . 55.14 108.497 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 129' ' ' ARG . . . . . . . . . . . . . 17.0 ptt180 -122.3 -41.83 2.39 Favored 'General case' 0 N--CA 1.445 -0.704 0 CA-C-N 114.893 -1.049 . . . . 75.21 111.117 -176.471 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 130' ' ' ASN . . . . . . . . . . . . . 93.2 m-20 -73.45 -47.13 44.04 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 116.402 -0.363 . . . . 74.14 111.339 176.877 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 131' ' ' ASN . . . . . . . . . . . . . 64.3 t30 -78.15 -43.93 27.4 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 121.085 0.469 . . . . 75.43 110.531 -177.236 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 132' ' ' VAL . . . . . . . . . . . . . 24.7 t -95.09 136.33 26.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.563 -0.744 . . . . 52.13 110.331 -178.88 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 133' ' ' ALA . . . . . . . . . . . . . . . -77.53 90.07 3.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.358 0.599 . . . . 72.23 110.792 -179.2 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 134' ' ' VAL . . . . . 0.532 HG22 ' HB ' ' B' ' 97' ' ' VAL . 87.7 t -105.16 129.7 57.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.284 -0.871 . . . . 61.1 110.788 -178.248 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 135' ' ' ARG . . . . . 0.456 ' HB2' ' HG2' ' B' ' 98' ' ' GLU . 19.4 mmt-85 -102.98 121.3 42.25 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 108.863 -0.791 . . . . 74.32 108.863 174.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 71.4 mt -88.87 109.34 20.12 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.196 0.522 . . . . 72.41 109.915 177.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 137' ' ' VAL . . . . . 0.611 ' O ' ' HA ' ' B' ' 100' ' ' ARG . 0.2 OUTLIER -117.08 115.99 50.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.332 -0.849 . . . . 72.22 110.07 -178.058 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 138' ' ' VAL . . . . . 0.427 HG11 ' HA ' ' B' ' 112' ' ' LYS . 4.6 m -94.94 138.35 21.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 116.027 -0.533 . . . . 70.52 109.995 179.501 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 139' ' ' ALA . . . . . 0.513 ' HB3' ' HA ' ' B' ' 102' ' ' ALA . . . . . . . . 0 C--N 1.313 -0.992 0 CA-C-N 115.288 -0.869 . . . . 71.35 110.28 -174.032 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.466 ' HE3' HD13 ' A' ' 3' ' ' ILE . 15.7 ptt? . . . . . 0 N--CA 1.486 1.36 0 CA-C-O 120.593 0.235 . . . . 71.43 110.841 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 48.9 t30 -72.21 78.63 0.97 Allowed 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 121.287 0.565 . . . . 75.52 110.813 176.33 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.644 HD11 ' HB3' ' B' ' 96' ' ' ASP . 34.7 mm -72.92 135.1 28.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.769 -0.65 . . . . 51.02 112.078 176.138 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.662 ' HG ' ' HD3' ' B' ' 87' ' ' PRO . 86.5 mt -88.6 -42.93 11.73 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.497 -0.774 . . . . 74.21 110.022 173.162 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' TYR . . . . . 0.508 ' CD2' ' HB3' ' B' ' 35' ' ' GLU . 61.4 t80 -143.4 136.54 27.91 Favored 'General case' 0 C--O 1.222 -0.383 0 CA-C-N 116.443 -0.344 . . . . 54.43 110.486 178.721 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.559 ' HD3' ' HG2' ' B' ' 82' ' ' GLU . 29.7 ttmt -141.43 137.98 32.6 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.322 -0.399 . . . . 62.42 110.353 178.393 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 9.6 t -135.46 147.44 48.91 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.465 -0.789 . . . . 73.02 109.147 -178.32 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.425 ' HA ' ' HA ' ' B' ' 82' ' ' GLU . . . -111.74 156.4 21.97 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 121.616 0.722 . . . . 64.34 112.466 -171.208 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.471 ' HB2' ' OE1' ' B' ' 48' ' ' GLN . . . -146.34 125.26 12.74 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.163 -0.926 . . . . 65.14 109.763 174.872 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.404 ' HA ' ' HA ' ' B' ' 80' ' ' THR . 10.7 t -106.28 129.36 54.32 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.733 -0.469 . . . . 73.43 109.733 178.381 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 22.4 t -113.21 119.3 37.27 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.25 -0.432 . . . . 71.32 110.11 179.199 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.58 ' HA ' HG22 ' B' ' 78' ' ' THR . 4.4 m -98.13 156.37 16.7 Favored 'General case' 0 C--O 1.238 0.477 0 CA-C-N 116.248 -0.433 . . . . 72.12 110.545 179.636 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -90.37 77.28 1.56 Allowed Glycine 0 N--CA 1.448 -0.552 0 N-CA-C 111.493 -0.643 . . . . 62.44 111.493 175.659 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -62.72 -109.2 0.01 OUTLIER Glycine 0 C--N 1.333 0.391 0 C-N-CA 121.039 -0.6 . . . . 62.02 112.015 176.272 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 33.1 ttm180 -88.74 -49.53 6.79 Favored 'General case' 0 C--N 1.332 -0.154 0 O-C-N 122.383 -0.481 . . . . 73.04 109.933 173.261 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -125.67 -43.5 1.87 Allowed 'General case' 0 N--CA 1.467 0.379 0 N-CA-C 109.927 -0.397 . . . . 74.22 109.927 178.105 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.518 ' O ' ' HG3' ' A' ' 29' ' ' LYS . . . -169.84 157.88 29.7 Favored Glycine 0 C--N 1.341 0.842 0 C-N-CA 120.295 -0.955 . . . . 73.12 111.447 161.923 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.659 ' HA ' ' HA ' ' A' ' 29' ' ' LYS . 7.0 tmm_? -143.57 120.67 11.44 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 117.316 0.558 . . . . 73.24 109.981 177.72 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.509 ' HB2' ' HB2' ' B' ' 56' ' ' ALA . . . -107.94 136.02 48.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.356 -0.384 . . . . 71.12 110.616 -177.179 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 30.0 m -140.66 113.68 8.39 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.318 -0.401 . . . . 63.53 110.708 -179.679 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.528 ' HB3' ' N ' ' A' ' 26' ' ' LEU . 44.2 t -70.2 109.9 4.9 Favored 'General case' 0 C--O 1.246 0.904 0 N-CA-C 107.965 -1.124 . . . . 62.3 107.965 175.153 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.445 ' C ' ' H ' ' A' ' 24' ' ' GLN . 40.9 t-80 -57.01 -23.76 48.6 Favored 'General case' 0 N--CA 1.471 0.621 0 O-C-N 126.121 2.138 . . . . 71.44 112.679 -166.873 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.461 ' CB ' ' HE3' ' A' ' 25' ' ' LYS . 3.2 m-20 -80.0 16.49 1.19 Allowed 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.353 0.597 . . . . 73.43 109.698 178.789 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.445 ' H ' ' C ' ' A' ' 22' ' ' HIS . 27.1 mm-40 68.69 18.53 8.73 Favored 'General case' 0 CA--C 1.517 -0.295 0 CA-C-N 114.555 -1.202 . . . . 72.53 109.41 177.466 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.487 ' HB2' ' OG ' ' A' ' 21' ' ' SER . 97.6 mttt -76.47 -29.87 57.08 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-N 114.713 -1.131 . . . . 73.44 110.411 179.561 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.528 ' N ' ' HB3' ' A' ' 21' ' ' SER . 47.8 tp -153.43 148.89 27.18 Favored 'General case' 0 CA--C 1.51 -0.586 0 C-N-CA 119.699 -0.8 . . . . 74.42 112.151 -176.523 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -158.16 90.86 1.07 Allowed 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 114.94 -1.027 . . . . 74.13 110.29 -179.006 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.495 ' O ' ' HG2' ' A' ' 18' ' ' ARG . 6.6 m -145.21 176.92 1.85 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.569 0 CA-C-O 121.366 0.603 . . . . 62.12 111.692 179.687 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.659 ' HA ' ' HA ' ' A' ' 18' ' ' ARG . 30.6 tttm -124.89 143.87 50.62 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.218 -0.901 . . . . 62.42 110.381 -177.61 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.617 ' HA ' ' H ' ' A' ' 44' ' ' THR . 0.0 OUTLIER -125.37 167.08 15.44 Favored 'General case' 0 C--O 1.259 1.596 0 CA-C-O 121.178 0.513 . . . . 64.12 111.039 176.421 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.5 m -148.11 147.71 29.81 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 114.706 -1.133 . . . . 75.34 110.422 -173.605 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -78.08 137.02 61.25 Favored Pre-proline 0 C--O 1.241 0.644 0 CA-C-N 116.537 -0.302 . . . . 52.21 110.692 176.886 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 28.2 Cg_endo -61.97 115.66 2.97 Favored 'Trans proline' 0 C--N 1.35 0.637 0 C-N-CA 122.769 2.313 . . . . 73.33 112.021 -177.069 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.617 ' HB2' ' N ' ' A' ' 40' ' ' GLY . 68.5 ttt-85 -81.97 55.17 2.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.371 0.605 . . . . 50.12 111.089 -176.709 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 71.3 mm-40 -117.62 -22.03 8.27 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.617 -0.72 . . . . 75.14 109.573 173.906 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 52.6 mt -122.33 11.47 10.04 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 115.512 -0.767 . . . . 63.44 110.479 -175.916 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 106.67 65.74 0.63 Allowed Glycine 0 C--N 1.331 0.3 0 CA-C-N 116.0 -0.545 . . . . 72.22 112.217 -178.236 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -132.73 -137.94 4.01 Favored Glycine 0 C--N 1.335 0.511 0 N-CA-C 111.491 -0.643 . . . . 73.44 111.491 179.037 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -123.73 -27.22 4.01 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 111.514 0.191 . . . . 63.22 111.514 -177.169 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.617 ' N ' ' HB2' ' A' ' 34' ' ' ARG . . . 48.31 40.21 22.21 Favored Glycine 0 C--N 1.336 0.578 0 C-N-CA 121.519 -0.372 . . . . 45.53 112.85 -177.795 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -82.48 175.28 10.34 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.531 0.205 . . . . 44.21 110.958 -178.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -65.12 82.77 0.04 OUTLIER 'General case' 0 CA--C 1.533 0.322 0 CA-C-O 121.798 0.809 . . . . 71.23 110.007 175.164 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -164.64 -174.66 34.63 Favored Glycine 0 N--CA 1.449 -0.463 0 CA-C-N 115.327 -0.851 . . . . 55.55 111.754 174.274 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.617 ' H ' ' HA ' ' A' ' 30' ' ' LEU . 20.9 p -104.16 154.54 19.63 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 110.192 -0.299 . . . . 74.01 110.192 -178.235 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.611 ' HB2' ' HB3' ' A' ' 48' ' ' GLN . 85.6 m-20 -74.94 123.68 89.09 Favored Pre-proline 0 C--N 1.327 -0.37 0 N-CA-C 109.035 -0.728 . . . . 72.33 109.035 176.839 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_exo -50.07 -45.92 30.69 Favored 'Trans proline' 0 C--N 1.349 0.592 0 C-N-CA 122.711 2.274 . . . . 63.04 112.336 -178.162 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 8.7 mp0 -64.05 -37.3 86.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.557 -0.747 . . . . 62.13 110.069 -179.629 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.611 ' HB3' ' HB2' ' A' ' 45' ' ' ASN . 7.0 tm0? -68.53 -33.42 74.08 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 115.66 -0.7 . . . . 72.35 110.305 176.922 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.498 HD12 ' HA3' ' B' ' 53' ' ' GLY . 1.7 tm? -66.28 -47.5 73.45 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.423 -0.584 . . . . 71.11 109.423 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 36.7 t80 -62.88 -46.63 86.93 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.334 -0.394 . . . . 64.45 110.673 176.699 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.6 -52.09 66.17 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 116.593 -0.276 . . . . 52.03 111.133 178.02 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.1 -46.17 90.23 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-O 120.952 0.406 . . . . 51.43 110.858 -179.062 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.55 ' HA3' HD12 ' B' ' 49' ' ' LEU . . . -62.41 -44.97 96.87 Favored Glycine 0 N--CA 1.449 -0.438 0 CA-C-N 115.698 -0.683 . . . . 45.35 112.202 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.891 ' HA ' ' SG ' ' A' ' 57' ' ' CYS . 5.9 t80 -69.82 -34.5 73.75 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.852 0.358 . . . . 71.4 110.351 -179.529 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.508 ' HB2' ' HB2' ' A' ' 81' ' ' ALA . 8.6 t -62.32 -50.57 71.11 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.507 -0.553 . . . . 50.31 109.507 178.176 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.568 ' HB2' ' HB2' ' B' ' 19' ' ' ALA . . . -70.38 -40.33 74.04 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.879 -0.601 . . . . 72.41 111.297 -178.462 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.891 ' SG ' ' HA ' ' A' ' 54' ' ' TYR . 15.7 p -64.03 -35.94 82.36 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.688 -0.486 . . . . 74.4 109.688 179.226 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 23.0 t80 -52.58 -34.88 52.64 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 116.223 -0.444 . . . . 64.12 110.413 178.37 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -64.63 -42.37 95.52 Favored 'General case' 0 N--CA 1.465 0.29 0 N-CA-C 109.82 -0.437 . . . . 74.12 109.82 174.745 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.448 ' O ' ' HB3' ' A' ' 63' ' ' LYS . 27.4 t -66.45 -35.43 80.27 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-O 121.223 0.535 . . . . 74.4 110.154 178.688 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.408 ' O ' HG23 ' A' ' 65' ' ' VAL . . . -67.5 -43.25 81.36 Favored 'General case' 0 C--O 1.221 -0.429 0 CA-C-N 115.953 -0.567 . . . . 64.15 109.941 177.748 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -65.22 -36.28 83.66 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.187 0.518 . . . . 61.32 109.993 175.133 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.448 ' HB3' ' O ' ' A' ' 60' ' ' SER . 11.8 tptm -56.22 -49.99 72.56 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.057 -0.974 . . . . 62.32 109.959 177.63 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.422 ' CZ ' ' HE1' ' B' ' 93' ' ' PHE . 63.4 t80 -75.81 -48.45 21.59 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 115.465 -0.789 . . . . 70.35 111.705 -178.542 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.436 ' HA ' ' HG2' ' A' ' 68' ' ' GLN . 42.9 t -55.32 -40.45 56.94 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.31 0 CA-C-N 116.429 -0.35 . . . . 51.41 110.89 -178.031 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.515 ' HB1' ' O ' ' A' ' 71' ' ' GLN . . . -54.45 -33.71 60.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.171 0.51 . . . . 55.45 110.333 176.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -71.95 -31.97 63.97 Favored Glycine 0 C--N 1.33 0.202 0 CA-C-N 115.552 -0.749 . . . . 65.01 112.528 -177.806 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.436 ' HG2' ' HA ' ' A' ' 65' ' ' VAL . 14.1 pt20 -92.81 -11.88 32.58 Favored 'General case' 0 CA--C 1.52 -0.187 0 N-CA-C 108.949 -0.76 . . . . 73.33 108.949 179.088 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.45 ' HB3' ' HG2' ' A' ' 71' ' ' GLN . 0.9 OUTLIER -94.67 -5.17 46.19 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 114.857 -1.065 . . . . 73.35 110.544 175.402 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 11.0 mptt 58.73 29.48 18.71 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-O 121.61 0.719 . . . . 70.5 111.189 178.042 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.515 ' O ' ' HB1' ' A' ' 66' ' ' ALA . 2.8 pt20 -124.37 159.08 31.15 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 114.76 -1.109 . . . . 65.11 109.501 175.857 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 4.5 p -125.35 128.14 47.71 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.935 0.398 . . . . 71.13 110.476 177.79 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -109.23 145.54 32.01 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 115.938 -0.574 . . . . 63.13 110.51 179.851 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.413 ' HB2' ' HG2' ' A' ' 104' ' ' PRO . 48.8 Cg_exo -57.28 130.49 39.63 Favored 'Trans proline' 0 C--N 1.35 0.607 0 C-N-CA 122.73 2.287 . . . . 75.32 112.487 -179.441 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -77.02 -1.29 28.08 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 121.368 0.604 . . . . 74.43 110.901 178.084 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -85.55 17.95 3.01 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.284 -0.871 . . . . 72.44 110.393 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.53 ' HB ' HD12 ' A' ' 103' ' ' LEU . 5.8 t -91.7 159.26 15.94 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.559 -0.746 . . . . 73.42 112.11 -174.41 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 56.4 m -143.1 149.39 38.07 Favored 'General case' 0 CA--C 1.529 0.164 0 CA-C-N 115.62 -0.718 . . . . 65.01 110.355 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 92.6 t -134.15 132.91 55.92 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 115.512 -0.767 . . . . 73.54 109.006 177.341 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 87.8 m -114.13 115.95 28.34 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.677 0.275 . . . . 61.0 110.491 178.8 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.508 ' HB2' ' HB2' ' A' ' 55' ' ' SER . . . -93.25 105.18 17.29 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.299 -0.63 . . . . 75.0 109.299 175.036 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.54 ' HA ' ' HA ' ' B' ' 8' ' ' ALA . 24.6 tt0 -101.83 107.44 18.62 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.521 -0.918 . . . . 74.0 108.521 176.731 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.558 HG23 HG22 ' A' ' 97' ' ' VAL . 7.5 p -103.6 131.25 52.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.873 -0.603 . . . . 74.25 111.048 -172.649 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -122.48 160.86 16.86 Favored Glycine 0 N--CA 1.446 -0.696 0 CA-C-N 115.78 -0.645 . . . . 64.22 111.813 178.466 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -137.88 130.2 40.49 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 N-CA-C 108.785 -0.82 . . . . 71.32 108.785 178.67 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' GLY . . . . . 0.442 ' HA2' ' HG ' ' B' ' 4' ' ' LEU . . . -146.49 169.93 27.63 Favored Glycine 0 CA--C 1.517 0.186 0 O-C-N 123.985 0.803 . . . . 64.2 111.496 -176.329 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.676 ' HD3' ' HG ' ' B' ' 4' ' ' LEU . 7.2 Cg_exo -70.95 119.9 6.65 Favored 'Trans proline' 0 N--CA 1.462 -0.338 0 C-N-CA 122.665 2.244 . . . . 75.13 111.659 -176.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 52.8 t-20 -72.98 142.67 47.76 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.235 -0.654 . . . . 63.43 109.235 177.519 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -66.02 -13.34 59.74 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-O 121.173 0.511 . . . . 74.31 110.837 -179.763 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -71.74 -20.1 61.94 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 115.504 -0.771 . . . . 62.35 110.451 173.484 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.47 23.51 7.93 Favored Glycine 0 CA--C 1.518 0.233 0 CA-C-N 115.757 -0.656 . . . . 52.42 112.65 179.697 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -131.92 -140.78 4.59 Favored Glycine 0 N--CA 1.453 -0.21 0 N-CA-C 111.611 -0.596 . . . . 74.12 111.611 177.448 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -116.55 146.96 42.26 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.797 0.332 . . . . 72.25 110.15 178.283 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -132.15 133.02 43.77 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.934 -0.576 . . . . 73.43 110.188 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -96.06 124.32 40.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.941 -0.572 . . . . 75.45 110.08 178.576 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.474 ' HB3' HD11 ' B' ' 3' ' ' ILE . 10.2 t70 -117.78 110.33 17.67 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 108.745 -0.835 . . . . 62.1 108.745 -179.509 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.558 HG22 HG23 ' A' ' 83' ' ' VAL . 46.6 t -108.39 110.92 33.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.695 0.283 . . . . 41.42 111.192 -172.482 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.45 ' HA ' ' HB2' ' A' ' 135' ' ' ARG . 42.3 mt-10 -88.07 104.33 16.57 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.753 -0.462 . . . . 51.52 109.753 175.562 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 11.6 tp -94.28 107.09 19.06 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.168 -0.678 . . . . 73.33 109.168 -178.791 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.527 ' HA ' ' O ' ' A' ' 137' ' ' VAL . 59.2 ttt180 -99.43 111.43 23.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.539 -0.755 . . . . 73.43 110.076 -172.236 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 46.7 t -106.13 115.46 47.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.423 0.154 . . . . 72.23 111.192 -171.325 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -112.08 101.46 9.73 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-O 120.823 0.344 . . . . 73.1 110.163 176.839 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.877 HD23 HD22 ' A' ' 106' ' ' LEU . 38.9 tp -111.09 115.01 53.27 Favored Pre-proline 0 CA--C 1.53 0.205 0 N-CA-C 108.688 -0.856 . . . . 73.31 108.688 178.515 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 104' ' ' PRO . . . . . 0.556 ' HD2' HD12 ' A' ' 103' ' ' LEU . 56.6 Cg_endo -70.41 148.63 61.27 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.598 2.199 . . . . 73.52 112.35 -174.63 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 73.08 15.21 78.62 Favored Glycine 0 N--CA 1.451 -0.307 0 CA-C-N 115.629 -0.714 . . . . 54.45 112.273 -178.301 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.877 HD22 HD23 ' A' ' 103' ' ' LEU . 24.7 tp -125.52 141.16 52.19 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-O 120.947 0.403 . . . . 65.03 111.156 -177.219 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -82.19 141.99 32.57 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.681 -0.69 . . . . 72.42 110.318 174.39 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.505 ' O ' ' HG2' ' A' ' 112' ' ' LYS . . . -59.29 -34.91 72.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.852 0.358 . . . . 74.35 110.785 177.837 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -58.01 -46.64 84.94 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 115.823 -0.626 . . . . 64.13 110.813 179.593 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 0.473 ' O ' HG22 ' A' ' 113' ' ' THR . . . -75.96 -35.86 59.51 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-O 121.25 0.548 . . . . 73.25 109.922 177.695 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -56.27 -32.81 64.88 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.518 -0.765 . . . . 54.13 110.679 178.762 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 112' ' ' LYS . . . . . 0.505 ' HG2' ' O ' ' A' ' 108' ' ' ALA . 32.0 mmtp -51.13 -48.96 61.65 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 115.803 -0.635 . . . . 74.23 110.796 176.624 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 113' ' ' THR . . . . . 0.473 HG22 ' O ' ' A' ' 110' ' ' ALA . 1.9 t -81.99 -36.1 28.22 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.051 -0.522 . . . . 74.22 110.899 -175.273 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.415 ' HG ' ' O ' ' A' ' 110' ' ' ALA . 40.5 mt -61.53 -48.73 79.68 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 116.364 -0.38 . . . . 61.01 110.793 -179.454 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 67.6 t -67.16 -33.4 62.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.314 -0.403 . . . . 72.22 110.133 177.855 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -61.05 -58.03 10.1 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-N 115.873 -0.603 . . . . 63.5 110.901 178.174 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 117' ' ' ARG . . . . . 0.459 ' HG2' ' O ' ' A' ' 113' ' ' THR . 15.0 ptm180 -64.36 -39.09 93.18 Favored 'General case' 0 C--O 1.227 -0.1 0 CA-C-N 115.659 -0.701 . . . . 65.24 110.545 -177.45 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -58.34 -50.93 71.87 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.17 0.51 . . . . 63.41 110.315 176.776 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 119' ' ' HIS . . . . . 0.442 ' CD2' ' HB3' ' A' ' 129' ' ' ARG . 64.5 t60 -79.42 8.65 5.85 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 115.639 -0.71 . . . . 74.13 110.239 179.713 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 3.9 t-160 -108.71 -43.57 4.23 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 116.195 -0.457 . . . . 75.14 110.734 177.289 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 28.6 m -89.31 -21.03 6.94 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.391 0 CA-C-N 116.378 -0.374 . . . . 74.54 111.824 -173.62 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 122' ' ' CYS . . . . . 0.467 ' N ' ' HD3' ' A' ' 123' ' ' PRO . 52.6 t -138.45 60.45 20.92 Favored Pre-proline 0 C--O 1.236 0.353 0 CA-C-O 120.841 0.353 . . . . 72.12 110.636 178.873 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 123' ' ' PRO . . . . . 0.467 ' HD3' ' N ' ' A' ' 122' ' ' CYS . 50.5 Cg_endo -98.12 153.96 0.83 Allowed 'Trans proline' 0 N--CA 1.453 -0.871 0 C-N-CA 123.109 2.539 . . . . 74.45 112.553 178.603 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 124' ' ' TYR . . . . . 0.542 ' O ' ' HB ' ' A' ' 128' ' ' THR . 2.5 m-85 -73.8 73.09 1.57 Allowed 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 108.768 -0.826 . . . . 65.44 108.768 171.826 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 125' ' ' SER . . . . . 0.478 ' HB3' ' O ' ' A' ' 124' ' ' TYR . 48.4 t 77.42 149.16 0.1 Allowed 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 115.074 -0.966 . . . . 62.44 110.127 -171.02 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 126' ' ' ASN . . . . . 0.403 ' O ' ' HG2' ' A' ' 129' ' ' ARG . 52.6 t-20 -61.94 -31.46 71.79 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 122.019 0.914 . . . . 73.42 108.675 176.248 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 127' ' ' ALA . . . . . 0.463 ' O ' HG23 ' A' ' 132' ' ' VAL . . . -66.24 3.26 0.93 Allowed 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 114.88 -1.054 . . . . 54.1 112.434 -179.196 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 128' ' ' THR . . . . . 0.542 ' HB ' ' O ' ' A' ' 124' ' ' TYR . 2.9 t -93.84 4.34 54.07 Favored 'General case' 0 CA--C 1.519 -0.217 0 CA-C-O 122.146 0.974 . . . . 73.21 108.743 -173.814 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 129' ' ' ARG . . . . . 0.442 ' HB3' ' CD2' ' A' ' 119' ' ' HIS . 13.6 ptm180 -136.73 -46.5 0.6 Allowed 'General case' 0 N--CA 1.444 -0.739 0 CA-C-N 114.594 -1.184 . . . . 72.04 110.45 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 53.3 m-80 -78.57 -42.53 28.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.497 -0.32 . . . . 71.52 111.766 178.802 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -91.46 -39.02 12.2 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-O 120.899 0.381 . . . . 72.12 110.297 -176.08 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 132' ' ' VAL . . . . . 0.463 HG23 ' O ' ' A' ' 127' ' ' ALA . 90.4 t -98.89 126.25 52.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 70.22 109.886 -178.69 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -74.95 96.43 3.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.342 0.591 . . . . 45.42 111.399 -176.356 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 57.6 t -115.95 109.29 27.65 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.535 0 CA-C-N 115.392 -0.822 . . . . 75.02 109.973 175.384 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 135' ' ' ARG . . . . . 0.45 ' HB2' ' HA ' ' A' ' 98' ' ' GLU . 20.4 mmt180 -72.77 98.59 2.44 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.899 -0.592 . . . . 72.41 109.621 178.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.416 ' HA ' HD23 ' A' ' 136' ' ' LEU . 49.0 mt -74.86 100.28 4.03 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.551 0.691 . . . . 50.04 109.919 175.717 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 137' ' ' VAL . . . . . 0.527 ' O ' ' HA ' ' A' ' 100' ' ' ARG . 0.2 OUTLIER -109.59 111.66 37.12 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 CA-C-N 114.729 -1.123 . . . . 74.42 109.621 -179.022 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 4.1 m -96.65 138.85 20.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 115.564 -0.744 . . . . 53.11 110.097 -176.543 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.312 -1.04 0 CA-C-N 115.217 -0.901 . . . . 73.13 110.56 -175.858 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 16.8 ptt? . . . . . 0 CA--C 1.532 0.281 0 CA-C-O 120.537 0.208 . . . . 72.42 110.504 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 50.0 t30 -72.08 74.98 0.94 Allowed 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 121.281 0.562 . . . . 61.35 110.739 176.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 3' ' ' ILE . . . . . 0.548 HG21 ' HB2' ' B' ' 6' ' ' LYS . 30.8 mm -74.03 135.23 27.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.657 -0.701 . . . . 72.42 111.651 175.702 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.676 ' HG ' ' HD3' ' A' ' 87' ' ' PRO . 84.4 mt -95.47 -46.1 6.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.76 -0.654 . . . . 75.25 110.11 174.419 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 5' ' ' TYR . . . . . . . . . . . . . 24.5 t80 -132.05 130.34 41.2 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.961 -0.563 . . . . 75.45 109.491 -178.377 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 6' ' ' LYS . . . . . 0.548 ' HB2' HG21 ' B' ' 3' ' ' ILE . 38.6 ttmt -137.37 135.51 37.06 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.035 0.445 . . . . 65.01 111.134 177.756 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 5.3 t -134.99 142.27 46.42 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.601 -0.727 . . . . 72.52 109.279 178.327 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 8' ' ' ALA . . . . . 0.54 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . . . -109.18 152.93 24.48 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.946 0.403 . . . . 64.22 111.259 -174.28 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 9' ' ' ALA . . . . . 0.499 ' HA ' ' H ' ' B' ' 22' ' ' HIS . . . -139.17 116.93 11.5 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.053 -0.521 . . . . 31.45 110.446 175.154 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 27.4 m -95.05 124.41 39.08 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.783 -0.644 . . . . 64.31 110.132 -179.323 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 11' ' ' SER . . . . . 0.541 ' HA ' ' O ' ' B' ' 18' ' ' ARG . 57.4 p -131.35 115.77 16.69 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.596 0.236 . . . . 74.14 111.563 -177.923 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 11.3 m -94.54 158.32 15.59 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.926 -0.398 . . . . 53.42 109.926 176.196 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -89.24 59.61 3.81 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.897 -0.668 . . . . 71.12 111.771 177.356 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -47.35 -88.38 0.01 OUTLIER Glycine 0 C--N 1.342 0.893 0 O-C-N 123.905 0.415 . . . . 73.4 112.918 -177.771 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 10.1 tpp180 -88.96 -56.27 3.35 Favored 'General case' 0 C--O 1.238 0.5 0 N-CA-C 109.0 -0.741 . . . . 65.14 109.0 171.617 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 16' ' ' ASP . . . . . 0.57 ' HB3' ' HA ' ' B' ' 31' ' ' SER . 27.1 t70 -127.08 -43.38 1.66 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.305 -0.407 . . . . 65.33 110.431 169.034 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -161.05 148.03 15.43 Favored Glycine 0 C--N 1.344 0.975 0 C-N-CA 120.383 -0.913 . . . . 74.22 111.78 169.501 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 18' ' ' ARG . . . . . 0.541 ' O ' ' HA ' ' B' ' 11' ' ' SER . 0.7 OUTLIER -138.32 106.65 5.8 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 108.634 -0.876 . . . . 74.4 108.634 179.027 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 19' ' ' ALA . . . . . 0.568 ' HB2' ' HB2' ' A' ' 56' ' ' ALA . . . -103.81 123.83 47.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.052 0.453 . . . . 64.21 111.117 -173.399 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 24.3 m -125.31 112.57 16.51 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.706 -0.679 . . . . 75.11 109.816 177.015 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 21' ' ' SER . . . . . 0.544 ' HB3' ' N ' ' B' ' 26' ' ' LEU . 48.0 t -64.67 108.61 1.76 Allowed 'General case' 0 C--O 1.246 0.915 0 N-CA-C 107.071 -1.455 . . . . 74.21 107.071 175.343 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 22' ' ' HIS . . . . . 0.499 ' H ' ' HA ' ' B' ' 9' ' ' ALA . 15.4 t60 -53.85 -22.82 10.61 Favored 'General case' 0 C--N 1.346 0.433 0 O-C-N 126.622 2.451 . . . . 73.12 112.57 -164.683 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 23' ' ' ASP . . . . . 0.551 ' HB2' ' HG2' ' B' ' 25' ' ' LYS . 3.8 m-20 -80.57 19.33 0.82 Allowed 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 110.096 -0.335 . . . . 63.54 110.096 176.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 24' ' ' GLN . . . . . 0.402 ' H ' ' C ' ' B' ' 22' ' ' HIS . 87.9 mm-40 55.96 28.29 12.46 Favored 'General case' 0 CA--C 1.516 -0.34 0 CA-C-O 121.825 0.821 . . . . 71.43 110.189 -176.264 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 25' ' ' LYS . . . . . 0.551 ' HG2' ' HB2' ' B' ' 23' ' ' ASP . 9.6 mmpt? -83.28 -27.47 29.82 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 114.573 -1.194 . . . . 41.25 109.497 175.817 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 26' ' ' LEU . . . . . 0.544 ' N ' ' HB3' ' B' ' 21' ' ' SER . 44.3 tp -150.69 147.01 26.83 Favored 'General case' 0 C--O 1.223 -0.306 0 C-N-CA 119.705 -0.798 . . . . 71.52 111.426 -178.358 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 65.8 t0 -152.04 99.64 2.56 Favored 'General case' 0 CA--C 1.532 0.253 0 O-C-N 123.471 0.482 . . . . 53.33 109.887 172.774 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 3.4 m -144.11 178.18 1.85 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.512 0 CA-C-N 115.533 -0.758 . . . . 74.12 111.657 179.016 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 29' ' ' LYS . . . . . 0.54 ' HA ' ' HA ' ' B' ' 18' ' ' ARG . 0.0 OUTLIER -135.15 145.68 48.04 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.279 -0.873 . . . . 64.31 110.193 179.598 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 30' ' ' LEU . . . . . 0.742 ' HA ' ' H ' ' B' ' 44' ' ' THR . 0.0 OUTLIER -131.6 160.53 35.08 Favored 'General case' 0 C--O 1.252 1.233 0 CA-C-O 121.006 0.432 . . . . 72.32 110.437 175.788 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 31' ' ' SER . . . . . 0.57 ' HA ' ' HB3' ' B' ' 16' ' ' ASP . 39.6 m -162.4 137.92 7.23 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 115.423 -0.808 . . . . 62.35 110.901 -176.779 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -72.96 115.02 36.06 Favored Pre-proline 0 C--O 1.237 0.432 0 CA-C-N 115.942 -0.572 . . . . 75.13 109.629 171.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 33' ' ' PRO . . . . . 0.725 ' HG2' ' HG3' ' B' ' 35' ' ' GLU . 36.6 Cg_endo -65.81 -159.54 0.04 OUTLIER 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.394 2.063 . . . . 71.3 111.535 178.88 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -110.24 48.24 0.91 Allowed 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.734 0.778 . . . . 71.43 109.102 178.576 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 35' ' ' GLU . . . . . 0.725 ' HG3' ' HG2' ' B' ' 33' ' ' PRO . 0.1 OUTLIER -48.27 -68.57 0.17 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 114.167 -1.378 . . . . 72.42 110.07 178.345 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.622 HD22 ' HB2' ' B' ' 35' ' ' GLU . 2.4 mm? -114.39 -32.9 5.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.141 -0.936 . . . . 63.52 109.08 174.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 173.09 46.66 0.05 OUTLIER Glycine 0 N--CA 1.448 -0.526 0 CA-C-N 115.757 -0.656 . . . . 51.22 112.495 -179.442 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -79.65 -122.67 0.4 Allowed Glycine 0 C--N 1.334 0.435 0 C-N-CA 120.859 -0.686 . . . . 64.12 111.668 177.411 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -108.52 -37.82 5.84 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.178 0.513 . . . . 71.25 110.539 179.803 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 86.49 78.37 1.22 Allowed Glycine 0 N--CA 1.451 -0.334 0 CA-C-N 115.655 -0.702 . . . . 53.13 111.757 -179.168 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 41' ' ' ALA . . . . . 0.411 ' H ' ' HA ' ' B' ' 33' ' ' PRO . . . -146.46 168.95 19.92 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.658 0.266 . . . . 45.11 110.958 -174.578 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -88.05 10.12 20.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.907 -0.588 . . . . 74.14 111.358 -176.371 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -77.55 -172.96 39.11 Favored Glycine 0 C--O 1.236 0.249 0 C-N-CA 121.189 -0.529 . . . . 72.12 113.02 -176.903 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 44' ' ' THR . . . . . 0.742 ' H ' ' HA ' ' B' ' 30' ' ' LEU . 29.3 m -98.01 147.3 24.65 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 110.158 -0.312 . . . . 35.03 110.158 -179.629 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 45' ' ' ASN . . . . . 0.413 ' HB3' ' OE1' ' B' ' 47' ' ' GLU . 10.6 m120 -65.7 125.38 89.66 Favored Pre-proline 0 CA--C 1.533 0.302 0 CA-C-N 116.404 -0.362 . . . . 71.14 110.716 179.177 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 46' ' ' PRO . . . . . 0.406 ' HB3' ' HB2' ' A' ' 57' ' ' CYS . 50.0 Cg_exo -55.19 -54.52 4.23 Favored 'Trans proline' 0 C--N 1.352 0.761 0 C-N-CA 122.999 2.466 . . . . 54.41 112.749 178.137 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 47' ' ' GLU . . . . . 0.413 ' OE1' ' HB3' ' B' ' 45' ' ' ASN . 0.0 OUTLIER -62.64 -38.85 91.89 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 116.265 -0.425 . . . . 73.03 110.399 -179.528 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 48' ' ' GLN . . . . . 0.471 ' OE1' ' HB2' ' A' ' 9' ' ' ALA . 1.2 tm0? -61.1 -43.2 99.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.101 -0.5 . . . . 65.22 110.074 176.318 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 49' ' ' LEU . . . . . 0.55 HD12 ' HA3' ' A' ' 53' ' ' GLY . 2.1 tm? -59.38 -48.38 81.85 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.457 -0.571 . . . . 73.15 109.457 -178.936 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 16.5 t80 -57.57 -46.54 83.84 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 115.926 -0.579 . . . . 74.53 110.748 176.184 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.97 -50.19 75.03 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.263 -0.426 . . . . 63.22 111.104 -179.524 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.85 -44.53 96.87 Favored 'General case' 0 C--O 1.237 0.423 0 CA-C-N 116.099 -0.5 . . . . 74.31 111.076 -179.216 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 53' ' ' GLY . . . . . 0.498 ' HA3' HD12 ' A' ' 49' ' ' LEU . . . -65.73 -33.94 87.42 Favored Glycine 0 C--N 1.33 0.247 0 CA-C-N 115.93 -0.577 . . . . 73.22 111.947 177.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -68.64 -47.56 66.27 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 110.073 -0.343 . . . . 73.14 110.073 179.188 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 55' ' ' SER . . . . . 0.544 ' HB3' ' HB2' ' B' ' 81' ' ' ALA . 19.0 p -62.71 -43.68 98.18 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.355 -0.384 . . . . 71.55 110.269 178.638 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 56' ' ' ALA . . . . . 0.509 ' HB2' ' HB2' ' A' ' 19' ' ' ALA . . . -65.41 -39.83 92.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 72.32 110.512 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 57' ' ' CYS . . . . . . . . . . . . . 43.9 t -62.32 -36.71 83.0 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.915 -0.584 . . . . 72.4 109.756 176.562 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -59.54 -40.76 88.29 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-N 115.683 -0.689 . . . . 52.32 110.385 179.545 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 59' ' ' LEU . . . . . 0.476 ' O ' ' HG2' ' B' ' 63' ' ' LYS . 4.4 mm? -61.35 -63.43 1.29 Allowed 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 116.304 -0.407 . . . . 64.41 110.598 177.274 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 23.3 m -54.18 -41.14 68.21 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-N 116.226 -0.443 . . . . 73.23 110.95 -178.434 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -59.04 -48.4 81.72 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.956 -0.565 . . . . 44.1 110.45 178.063 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 62' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -62.76 -35.47 79.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.339 -0.391 . . . . 71.0 111.184 179.846 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 63' ' ' LYS . . . . . 0.476 ' HG2' ' O ' ' B' ' 59' ' ' LEU . 10.2 mmpt? -62.75 -50.34 71.45 Favored 'General case' 0 N--CA 1.464 0.249 0 N-CA-C 109.809 -0.441 . . . . 72.03 109.809 178.548 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 84.3 t80 -64.19 -52.82 57.06 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 115.689 -0.687 . . . . 73.11 111.051 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 54.8 t -55.4 -47.61 77.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.933 -0.576 . . . . 75.05 111.138 -178.017 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -55.21 -35.07 64.49 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.315 0.578 . . . . 74.13 110.272 178.908 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -68.89 -29.72 72.5 Favored Glycine 0 N--CA 1.452 -0.235 0 CA-C-N 115.124 -0.944 . . . . 75.04 112.503 -175.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -99.09 -13.38 19.85 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.94 0.4 . . . . 64.5 109.999 179.304 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -88.81 -1.82 58.28 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 115.589 -0.732 . . . . 65.21 110.857 179.275 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 2.2 mptp? 64.97 34.62 8.81 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-O 121.251 0.548 . . . . 73.12 110.761 179.426 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -135.25 162.55 32.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.634 -0.712 . . . . 74.24 110.001 178.707 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 2.6 p -125.0 128.18 48.17 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.017 0.437 . . . . 74.12 110.923 178.834 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 72.0 mt -109.41 137.9 20.4 Favored Pre-proline 0 C--N 1.327 -0.402 0 CA-C-N 115.712 -0.677 . . . . 75.15 109.598 177.907 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 74' ' ' PRO . . . . . 0.406 ' O ' HG22 ' B' ' 77' ' ' THR . 52.4 Cg_exo -55.82 151.53 39.99 Favored 'Trans proline' 0 C--N 1.349 0.556 0 C-N-CA 123.298 2.665 . . . . 62.01 113.761 -172.832 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -77.7 -31.15 52.21 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.468 0.651 . . . . 71.53 110.991 173.079 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -80.95 21.96 0.65 Allowed 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 115.326 -0.852 . . . . 60.22 111.644 -172.55 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 77' ' ' THR . . . . . 0.406 HG22 ' O ' ' B' ' 74' ' ' PRO . 6.2 t -93.3 156.94 16.5 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.303 -0.408 . . . . 73.25 110.997 -178.649 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 78' ' ' THR . . . . . 0.58 HG22 ' HA ' ' A' ' 12' ' ' THR . 2.2 p -139.07 150.79 46.14 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.886 -0.597 . . . . 71.23 111.112 -179.494 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 79' ' ' VAL . . . . . 0.443 ' HA ' ' O ' ' B' ' 100' ' ' ARG . 62.5 t -133.2 115.59 23.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 115.613 -0.721 . . . . 54.24 109.426 174.843 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 80' ' ' THR . . . . . 0.404 ' HA ' ' HA ' ' A' ' 10' ' ' THR . 25.4 m -102.6 110.67 22.68 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.041 -0.527 . . . . 72.42 110.894 -177.296 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 81' ' ' ALA . . . . . 0.544 ' HB2' ' HB3' ' B' ' 55' ' ' SER . . . -93.38 111.57 23.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.994 -0.548 . . . . 73.43 109.664 176.438 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 82' ' ' GLU . . . . . 0.559 ' HG2' ' HD3' ' A' ' 6' ' ' LYS . 26.2 tt0 -111.83 107.67 16.79 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 108.769 -0.826 . . . . 71.23 108.769 178.745 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 83' ' ' VAL . . . . . 0.414 ' O ' ' HG3' ' A' ' 6' ' ' LYS . 10.5 p -108.57 141.1 24.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 71.44 111.103 -170.728 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 84' ' ' GLY . . . . . 0.43 ' HA2' ' HA ' ' A' ' 6' ' ' LYS . . . -138.08 168.23 24.65 Favored Glycine 0 N--CA 1.443 -0.896 0 C-N-CA 121.027 -0.606 . . . . 52.45 112.433 179.563 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -137.34 132.49 45.92 Favored 'Isoleucine or valine' 0 C--O 1.244 0.804 0 N-CA-C 108.674 -0.861 . . . . 73.1 108.674 -178.266 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 86' ' ' GLY . . . . . 0.496 ' HA2' ' HG ' ' A' ' 4' ' ' LEU . . . -148.76 169.82 29.24 Favored Glycine 0 C--N 1.33 0.202 0 O-C-N 124.238 0.961 . . . . 52.3 111.443 -178.069 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 87' ' ' PRO . . . . . 0.662 ' HD3' ' HG ' ' A' ' 4' ' ' LEU . 1.9 Cg_endo -80.76 121.23 4.06 Favored 'Trans proline' 0 N--CA 1.457 -0.668 0 C-N-CA 122.722 2.281 . . . . 61.3 112.311 -177.478 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 88' ' ' ASN . . . . . . . . . . . . . 53.7 t-20 -70.74 138.75 50.77 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 108.892 -0.781 . . . . 72.3 108.892 175.192 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -60.21 -20.09 57.21 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.076 0.465 . . . . 65.22 111.178 -178.878 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -69.09 -18.9 64.04 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 115.753 -0.658 . . . . 74.05 111.221 177.836 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.47 35.12 3.41 Favored Glycine 0 C--N 1.324 -0.103 0 CA-C-N 115.891 -0.595 . . . . 72.2 112.442 179.371 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . -141.86 -157.13 7.05 Favored Glycine 0 N--CA 1.451 -0.325 0 N-CA-C 110.79 -0.924 . . . . 70.13 110.79 176.394 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 93' ' ' PHE . . . . . 0.422 ' HE1' ' CZ ' ' A' ' 64' ' ' PHE . 67.6 m-85 -108.16 159.56 16.5 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 117.203 0.502 . . . . 73.12 110.123 176.894 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -144.66 141.54 29.43 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.108 -0.496 . . . . 62.21 110.166 -179.522 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -101.74 138.49 38.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.8 -0.637 . . . . 74.21 110.229 179.11 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 96' ' ' ASP . . . . . 0.644 ' HB3' HD11 ' A' ' 3' ' ' ILE . 34.7 t70 -138.6 110.8 7.36 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.323 -0.853 . . . . 73.53 109.704 -174.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 97' ' ' VAL . . . . . 0.602 HG13 HG13 ' B' ' 134' ' ' VAL . 3.9 p -128.21 128.9 69.1 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.902 0 CA-C-O 121.378 0.608 . . . . 65.34 112.076 -174.78 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 98' ' ' GLU . . . . . 0.442 ' HG3' ' HB3' ' B' ' 135' ' ' ARG . 1.5 mp0 -95.85 122.7 38.93 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.252 -0.885 . . . . 74.42 109.573 175.607 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 99' ' ' LEU . . . . . 0.478 ' HB2' HD23 ' B' ' 136' ' ' LEU . 70.5 mt -100.04 107.44 19.36 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.216 -0.661 . . . . 61.12 109.216 174.643 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 100' ' ' ARG . . . . . 0.526 ' HA ' ' O ' ' B' ' 137' ' ' VAL . 61.6 mtt85 -98.99 112.52 24.61 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.198 -0.455 . . . . 64.11 109.862 -176.596 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 101' ' ' VAL . . . . . . . . . . . . . 96.2 t -102.51 100.69 10.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.088 -0.505 . . . . 60.12 110.824 -174.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 102' ' ' ALA . . . . . 0.519 ' HA ' ' HB3' ' B' ' 139' ' ' ALA . . . -94.42 101.34 13.26 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.626 -0.509 . . . . 53.32 109.626 176.674 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 103' ' ' LEU . . . . . 0.403 ' HB2' HD23 ' B' ' 106' ' ' LEU . 13.1 mt -112.86 111.43 51.16 Favored Pre-proline 0 C--N 1.327 -0.382 0 CA-C-N 115.668 -0.696 . . . . 72.24 109.92 -178.935 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 104' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -70.98 147.77 55.71 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.697 2.265 . . . . 74.24 112.779 -179.461 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 105' ' ' GLY . . . . . . . . . . . . . . . 69.69 15.17 70.81 Favored Glycine 0 CA--C 1.521 0.408 0 CA-C-N 115.38 -0.827 . . . . 72.34 112.808 179.412 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 106' ' ' LEU . . . . . 0.412 HD21 ' HA ' ' B' ' 111' ' ' ALA . 23.9 tp -123.44 139.97 53.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.883 0.373 . . . . 60.53 111.176 -176.812 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -74.78 144.01 43.77 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.866 -0.606 . . . . 63.12 110.051 175.305 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 108' ' ' ALA . . . . . 0.453 ' O ' ' HG3' ' B' ' 112' ' ' LYS . . . -62.94 -38.5 91.26 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.836 0.35 . . . . 34.32 110.531 178.515 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -57.02 -51.74 68.03 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 115.948 -0.569 . . . . 64.51 110.66 179.373 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 110' ' ' ALA . . . . . 0.527 ' O ' HG22 ' B' ' 113' ' ' THR . . . -67.91 -38.59 83.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.108 -0.496 . . . . 72.03 110.551 178.174 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 111' ' ' ALA . . . . . 0.417 ' O ' HG23 ' B' ' 115' ' ' VAL . . . -55.43 -39.3 70.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.697 -0.683 . . . . 64.14 110.817 -179.321 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 112' ' ' LYS . . . . . 0.453 ' HG3' ' O ' ' B' ' 108' ' ' ALA . 68.5 mttm -52.99 -47.91 67.88 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.093 -0.503 . . . . 74.45 110.703 176.741 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 113' ' ' THR . . . . . 0.527 HG22 ' O ' ' B' ' 110' ' ' ALA . 0.7 OUTLIER -74.05 -33.4 63.69 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 116.446 -0.343 . . . . 72.03 110.708 -176.174 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 44.8 mt -66.9 -45.44 77.97 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-O 120.798 0.332 . . . . 70.23 110.42 179.183 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 115' ' ' VAL . . . . . 0.562 HG21 HG12 ' B' ' 138' ' ' VAL . 94.8 t -65.77 -36.02 76.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.165 -0.47 . . . . 63.55 110.059 177.288 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -58.8 -59.89 4.72 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 116.22 -0.445 . . . . 75.43 110.632 177.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 117' ' ' ARG . . . . . . . . . . . . . 10.6 ptm180 -60.49 -43.13 97.34 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 115.959 -0.564 . . . . 70.2 110.802 -177.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -63.33 -39.62 95.05 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.096 0.474 . . . . 61.11 110.784 179.816 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 119' ' ' HIS . . . . . 0.596 ' CE1' HG23 ' B' ' 128' ' ' THR . 28.8 t-80 -87.77 10.12 19.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.806 -0.634 . . . . 74.31 110.172 -178.369 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 5.0 t60 -107.53 -32.59 7.64 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.696 -0.683 . . . . 61.52 109.535 176.935 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 33.1 m -100.96 7.94 9.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.874 -0.603 . . . . 63.42 111.396 -177.896 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 122' ' ' CYS . . . . . 0.626 ' SG ' HG21 ' B' ' 128' ' ' THR . 18.8 p -65.66 140.88 97.6 Favored Pre-proline 0 CA--C 1.533 0.312 0 CA-C-N 116.444 -0.344 . . . . 74.53 110.688 -179.73 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 123' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_endo -64.02 -6.83 11.98 Favored 'Trans proline' 0 C--N 1.353 0.766 0 C-N-CA 122.788 2.325 . . . . 65.25 112.833 -177.492 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 124' ' ' TYR . . . . . . . . . . . . . 55.0 m-85 . . . . . 0 CA--C 1.534 0.364 0 CA-C-O 121.126 0.489 . . . . 65.35 110.106 177.592 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 128' ' ' THR . . . . . 0.626 HG21 ' SG ' ' B' ' 122' ' ' CYS . 14.9 t . . . . . 0 N--CA 1.448 -0.538 0 N-CA-C 108.159 -1.052 . . . . 55.14 108.159 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 129' ' ' ARG . . . . . 0.494 ' HB3' ' HD1' ' B' ' 119' ' ' HIS . 23.5 ptt180 -118.06 -48.2 2.55 Favored 'General case' 0 N--CA 1.445 -0.693 0 CA-C-N 114.821 -1.081 . . . . 75.21 111.139 -178.712 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 130' ' ' ASN . . . . . 0.445 ' N ' ' HG3' ' B' ' 129' ' ' ARG . 6.6 m120 -78.81 -35.5 44.11 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.351 -0.386 . . . . 74.14 110.975 -175.04 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 131' ' ' ASN . . . . . . . . . . . . . 66.0 t30 -92.2 -42.4 9.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.903 -0.589 . . . . 75.43 110.991 -175.293 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 132' ' ' VAL . . . . . . . . . . . . . 48.3 t -96.57 146.21 7.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.783 -0.644 . . . . 52.13 110.633 -175.229 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 133' ' ' ALA . . . . . . . . . . . . . . . -79.35 82.26 5.52 Favored 'General case' 0 C--O 1.239 0.526 0 CA-C-O 122.025 0.916 . . . . 72.23 111.078 -178.405 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 134' ' ' VAL . . . . . 0.602 HG13 HG13 ' B' ' 97' ' ' VAL . 24.1 t -119.56 105.97 18.31 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.751 0 CA-C-N 114.594 -1.184 . . . . 61.1 109.947 176.393 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 135' ' ' ARG . . . . . 0.442 ' HB3' ' HG3' ' B' ' 98' ' ' GLU . 0.1 OUTLIER -78.98 103.12 8.71 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.357 -0.609 . . . . 74.32 109.357 -178.943 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 136' ' ' LEU . . . . . 0.478 HD23 ' HB2' ' B' ' 99' ' ' LEU . 71.5 mt -74.67 114.66 13.35 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.277 -0.419 . . . . 72.41 110.247 175.81 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 137' ' ' VAL . . . . . 0.526 ' O ' ' HA ' ' B' ' 100' ' ' ARG . 0.2 OUTLIER -123.57 117.49 51.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 115.388 -0.824 . . . . 72.22 109.79 -178.753 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 138' ' ' VAL . . . . . 0.562 HG12 HG21 ' B' ' 115' ' ' VAL . 3.2 m -97.6 138.51 22.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 115.895 -0.593 . . . . 70.52 109.724 -178.927 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 139' ' ' ALA . . . . . 0.519 ' HB3' ' HA ' ' B' ' 102' ' ' ALA . . . . . . . . 0 C--O 1.251 1.166 0 CA-C-N 115.969 -0.56 . . . . 71.35 110.284 -175.915 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.6 ptt? . . . . . 0 N--CA 1.484 1.274 0 N-CA-C 110.35 -0.241 . . . . 71.43 110.35 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -73.01 75.79 1.2 Allowed 'General case' 0 CA--C 1.536 0.417 0 CA-C-O 121.35 0.595 . . . . 75.52 110.773 177.474 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.551 HG21 ' HB2' ' A' ' 6' ' ' LYS . 25.0 mm -75.66 142.15 14.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.61 -0.723 . . . . 51.02 111.693 176.886 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.701 ' HG ' ' HD3' ' B' ' 87' ' ' PRO . 90.8 mt -94.13 -46.58 7.04 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.621 -0.718 . . . . 74.21 109.997 172.108 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 54.5 t80 -137.41 131.92 32.71 Favored 'General case' 0 C--O 1.223 -0.302 0 CA-C-N 116.259 -0.428 . . . . 54.43 110.091 -178.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.551 ' HB2' HG21 ' A' ' 3' ' ' ILE . 30.7 ttmt -138.21 135.23 35.39 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.513 -0.312 . . . . 62.42 110.418 179.285 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 8.8 t -132.83 144.14 50.02 Favored 'General case' 0 C--O 1.239 0.535 0 CA-C-N 115.999 -0.546 . . . . 73.02 109.918 -178.19 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.448 ' HA ' ' HA ' ' B' ' 82' ' ' GLU . . . -111.37 151.44 28.46 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-O 121.353 0.597 . . . . 64.34 111.759 -174.916 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.427 ' HB2' ' HG2' ' B' ' 48' ' ' GLN . . . -151.45 117.87 5.67 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.463 -0.79 . . . . 65.14 109.965 176.791 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.561 ' HA ' ' HA ' ' B' ' 80' ' ' THR . 12.4 t -100.06 133.39 44.52 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.843 -0.617 . . . . 73.43 109.56 -177.493 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 76.4 p -117.35 113.23 21.82 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.417 -0.356 . . . . 71.32 110.587 -177.395 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 4.7 m -90.48 158.41 17.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.483 . . . . 72.12 111.216 -178.345 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -83.55 73.57 2.65 Favored Glycine 0 N--CA 1.447 -0.625 0 C-N-CA 121.041 -0.599 . . . . 62.44 112.066 175.833 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -70.85 -123.22 0.05 OUTLIER Glycine 0 CA--C 1.52 0.349 0 C-N-CA 121.346 -0.454 . . . . 62.02 112.438 178.33 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.63 ' HA ' ' HE ' ' A' ' 15' ' ' ARG . 0.1 OUTLIER -61.44 -55.15 34.52 Favored 'General case' 0 N--CA 1.462 0.155 0 N-CA-C 108.789 -0.819 . . . . 73.04 108.789 175.182 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.593 ' HB3' ' HA ' ' A' ' 31' ' ' SER . 26.2 t0 -125.73 -42.53 1.92 Allowed 'General case' 0 CA--C 1.511 -0.542 0 CA-C-N 115.2 -0.909 . . . . 74.22 108.685 167.217 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -161.7 166.81 36.24 Favored Glycine 0 N--CA 1.439 -1.115 0 C-N-CA 119.715 -1.231 . . . . 73.12 112.163 173.7 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.679 ' HA ' ' HA ' ' A' ' 29' ' ' LYS . 14.8 mtm180 -130.83 171.31 13.29 Favored 'General case' 0 C--N 1.311 -1.069 0 N-CA-C 109.256 -0.646 . . . . 73.24 109.256 173.214 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.609 ' HB1' ' HB1' ' B' ' 52' ' ' ALA . . . -149.15 123.02 9.32 Favored 'General case' 0 C--N 1.313 -1.009 0 N-CA-C 108.646 -0.872 . . . . 71.12 108.646 173.715 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 29.0 m -135.73 110.27 8.56 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 116.162 -0.472 . . . . 63.53 110.38 -177.014 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.569 ' HB3' ' N ' ' A' ' 26' ' ' LEU . 48.0 t -68.67 107.21 2.89 Favored 'General case' 0 C--O 1.245 0.857 0 N-CA-C 106.866 -1.531 . . . . 62.3 106.866 176.466 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.419 ' C ' ' H ' ' A' ' 24' ' ' GLN . 19.4 t-80 -60.56 -14.91 22.75 Favored 'General case' 0 C--N 1.343 0.302 0 O-C-N 125.748 1.905 . . . . 71.44 111.658 -168.817 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.54 ' HB2' ' HE2' ' A' ' 25' ' ' LYS . 13.5 m-20 -80.4 13.4 2.45 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.126 -0.694 . . . . 73.43 109.126 175.288 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.419 ' H ' ' C ' ' A' ' 22' ' ' HIS . 26.0 mm-40 65.48 30.27 10.84 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 115.052 -0.976 . . . . 72.53 109.722 178.917 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.54 ' HE2' ' HB2' ' A' ' 23' ' ' ASP . 55.0 mtmt -98.23 -19.09 18.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 114.892 -1.049 . . . . 73.44 110.73 178.683 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.569 ' N ' ' HB3' ' A' ' 21' ' ' SER . 43.6 tp -152.6 148.06 26.89 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 119.956 -0.698 . . . . 74.42 111.887 178.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -159.55 99.97 1.46 Allowed 'General case' 0 N--CA 1.468 0.452 0 O-C-N 123.696 0.622 . . . . 74.13 110.138 174.341 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 4.1 m -145.73 178.26 1.34 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 C-N-CA 122.903 0.481 . . . . 62.12 111.776 -178.65 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.679 ' HA ' ' HA ' ' A' ' 18' ' ' ARG . 13.1 ttmt -132.3 144.78 50.82 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.39 -0.823 . . . . 62.42 110.387 179.563 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.544 ' N ' HD13 ' A' ' 30' ' ' LEU . 0.0 OUTLIER -128.33 161.43 29.42 Favored 'General case' 0 C--O 1.254 1.304 0 CA-C-O 121.108 0.48 . . . . 64.12 110.582 175.301 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.593 ' HA ' ' HB3' ' A' ' 16' ' ' ASP . 49.0 m -156.8 135.12 11.33 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 115.409 -0.814 . . . . 75.34 110.59 -176.022 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -79.23 140.67 56.98 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-N 116.139 -0.482 . . . . 52.21 110.202 176.605 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.725 ' HB2' ' HG2' ' A' ' 35' ' ' GLU . 39.9 Cg_endo -65.47 150.07 87.23 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.324 2.016 . . . . 73.33 111.181 178.839 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.67 ' HB2' ' HA3' ' A' ' 40' ' ' GLY . 5.3 tpt180 -82.43 3.65 27.3 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.635 0.255 . . . . 50.12 110.365 -174.781 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.725 ' HG2' ' HB2' ' A' ' 33' ' ' PRO . 16.3 mm-40 -42.46 -61.48 1.2 Allowed 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 115.636 -0.711 . . . . 75.14 111.291 178.324 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 7.4 mp -95.9 13.26 27.41 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.437 -0.802 . . . . 63.44 110.734 -177.241 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 94.1 32.78 7.28 Favored Glycine 0 C--N 1.33 0.234 0 CA-C-N 115.983 -0.553 . . . . 72.22 112.341 -177.637 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -73.77 -123.04 0.09 OUTLIER Glycine 0 C--N 1.333 0.372 0 C-N-CA 121.345 -0.455 . . . . 73.44 112.366 178.059 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -117.41 -17.57 10.06 Favored 'General case' 0 C--N 1.332 -0.179 0 O-C-N 122.459 -0.436 . . . . 63.22 112.1 -179.06 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.67 ' HA3' ' HB2' ' A' ' 34' ' ' ARG . . . 53.95 78.13 0.12 Allowed Glycine 0 C--N 1.333 0.38 0 O-C-N 123.279 0.362 . . . . 45.53 113.979 175.625 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -162.5 -178.81 6.49 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.206 0.527 . . . . 44.21 111.71 178.534 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -88.25 81.15 7.38 Favored 'General case' 0 CA--C 1.515 -0.395 0 CA-C-N 115.283 -0.871 . . . . 71.23 110.407 -177.224 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -148.4 177.21 26.8 Favored Glycine 0 C--N 1.309 -0.954 0 CA-C-N 114.503 -1.226 . . . . 55.55 111.908 178.56 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.522 ' H ' ' HA ' ' A' ' 30' ' ' LEU . 25.5 m -87.6 152.44 22.18 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.646 -0.502 . . . . 74.01 109.646 179.152 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.455 ' OD1' ' HD3' ' A' ' 33' ' ' PRO . 19.5 m-20 -86.26 122.28 72.34 Favored Pre-proline 0 C--N 1.326 -0.447 0 N-CA-C 108.946 -0.761 . . . . 72.33 108.946 178.516 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 6.6 Cg_endo -47.06 -52.55 7.61 Favored 'Trans proline' 0 C--N 1.349 0.581 0 C-N-CA 123.195 2.597 . . . . 63.04 112.912 -174.381 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -66.27 -32.92 74.63 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.086 0.47 . . . . 62.13 110.505 -176.683 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 9.9 tt0 -69.97 -30.83 68.28 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.146 0.498 . . . . 72.35 109.962 177.045 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.414 HD12 ' HA3' ' B' ' 53' ' ' GLY . 3.0 tm? -67.2 -44.06 80.56 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 108.753 -0.832 . . . . 71.11 108.753 177.066 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 36.6 t80 -60.52 -45.62 93.14 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 115.893 -0.594 . . . . 64.45 110.566 174.234 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -53.09 -50.53 64.23 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-O 120.864 0.364 . . . . 52.03 111.367 176.552 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.61 -47.36 85.87 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 116.106 -0.497 . . . . 51.43 110.511 179.406 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.56 ' HA3' HD12 ' B' ' 49' ' ' LEU . . . -63.52 -35.58 92.24 Favored Glycine 0 C--O 1.226 -0.388 0 CA-C-N 115.69 -0.686 . . . . 45.35 112.264 179.369 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -64.0 -47.92 78.44 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.315 -0.624 . . . . 71.4 109.315 179.565 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 18.4 m -61.24 -47.57 85.46 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.832 -0.622 . . . . 50.31 110.352 178.56 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.602 ' HB1' HD21 ' B' ' 30' ' ' LEU . . . -64.17 -42.69 96.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.482 -0.781 . . . . 72.41 111.314 -178.422 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.598 ' SG ' ' HB3' ' B' ' 46' ' ' PRO . 74.4 m -67.99 -38.9 83.21 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.442 -0.344 . . . . 74.4 110.284 -179.864 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 29.8 t80 -63.03 -41.16 99.45 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.961 -0.563 . . . . 64.12 109.52 179.789 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -68.38 -49.77 57.73 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 115.434 -0.803 . . . . 74.12 110.461 -178.488 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.616 ' HA ' ' HD3' ' A' ' 63' ' ' LYS . 24.6 t -63.62 -44.59 93.46 Favored 'General case' 0 C--O 1.24 0.569 0 CA-C-O 121.068 0.461 . . . . 74.4 110.348 -178.772 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -60.08 -42.56 94.85 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 116.256 -0.429 . . . . 64.15 110.003 177.004 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' MET . . . . . 0.557 ' HG3' HD11 ' A' ' 73' ' ' LEU . 3.2 tpt -58.23 -38.13 76.22 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 115.677 -0.692 . . . . 61.32 110.118 177.194 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.616 ' HD3' ' HA ' ' A' ' 60' ' ' SER . 25.6 mtpp -61.7 -50.03 74.11 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 115.869 -0.605 . . . . 62.32 110.333 176.605 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 50.6 t80 -58.07 -46.98 84.54 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 116.132 -0.485 . . . . 70.35 110.73 177.86 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 54.1 t -56.99 -42.64 79.5 Favored 'Isoleucine or valine' 0 C--O 1.236 0.39 0 CA-C-N 115.906 -0.588 . . . . 51.41 110.931 179.583 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.466 ' HA ' ' HG3' ' A' ' 71' ' ' GLN . . . -57.31 -32.33 66.57 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.293 0.568 . . . . 55.45 110.374 177.809 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -72.29 -26.56 71.79 Favored Glycine 0 N--CA 1.452 -0.291 0 CA-C-N 115.185 -0.916 . . . . 65.01 112.653 -176.21 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -97.72 -23.41 15.94 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.162 0.506 . . . . 73.33 109.742 -178.197 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 25.4 m-80 -89.24 -0.48 57.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.454 -0.794 . . . . 73.35 111.395 179.586 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 9.3 mptt 62.4 26.52 15.83 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 116.148 -0.478 . . . . 70.5 111.54 176.845 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.466 ' HG3' ' HA ' ' A' ' 66' ' ' ALA . 1.1 pt20 -111.88 169.58 8.74 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.005 -0.543 . . . . 65.11 110.447 -179.349 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 26.8 p -123.08 141.37 52.04 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-N 116.299 -0.409 . . . . 71.13 110.862 -178.314 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.557 HD11 ' HG3' ' A' ' 62' ' ' MET . 95.9 mt -109.4 142.74 26.31 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 116.19 -0.459 . . . . 63.13 110.964 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.52 ' O ' HG22 ' A' ' 77' ' ' THR . 19.3 Cg_exo -67.02 141.35 57.68 Favored 'Trans proline' 0 C--N 1.349 0.559 0 C-N-CA 122.845 2.363 . . . . 75.32 112.015 177.551 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -77.06 -15.35 59.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.429 0.633 . . . . 74.43 110.895 178.799 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -91.98 12.37 22.05 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.156 -0.929 . . . . 72.44 112.12 -172.929 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.52 HG22 ' O ' ' A' ' 74' ' ' PRO . 8.6 t -89.07 153.49 20.94 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.17 0.51 . . . . 73.42 111.986 -175.674 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.0 p -144.38 154.38 42.93 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.43 -0.805 . . . . 65.01 110.583 179.424 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 84.8 t -130.51 123.77 55.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 115.866 -0.606 . . . . 73.54 109.4 175.377 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 32.6 m -113.46 110.93 21.1 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.356 -0.384 . . . . 61.0 110.558 -178.841 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -93.11 107.09 18.96 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.228 -0.442 . . . . 75.0 109.827 177.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.469 ' HA ' ' HA ' ' B' ' 8' ' ' ALA . 36.3 tt0 -104.95 107.71 18.83 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.056 -0.72 . . . . 74.0 109.056 -179.264 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.404 HG12 ' HB ' ' A' ' 97' ' ' VAL . 24.8 m -101.69 141.21 18.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.377 -0.374 . . . . 74.25 111.441 -173.258 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -130.94 153.14 20.18 Favored Glycine 0 N--CA 1.444 -0.819 0 N-CA-C 111.222 -0.751 . . . . 64.22 111.222 176.047 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -132.7 133.0 59.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 N-CA-C 109.327 -0.62 . . . . 71.32 109.327 -179.39 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -149.03 169.96 29.42 Favored Glycine 0 N--CA 1.453 -0.174 0 CA-C-N 115.495 -0.775 . . . . 64.2 111.168 179.758 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.503 ' HD3' ' HG ' ' B' ' 4' ' ' LEU . 62.1 Cg_endo -72.83 138.06 28.14 Favored 'Trans proline' 0 N--CA 1.461 -0.399 0 C-N-CA 122.186 1.924 . . . . 75.13 111.855 -178.126 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 54.4 t-20 -83.6 139.48 32.81 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.049 -0.722 . . . . 63.43 109.049 178.316 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -62.53 -16.56 56.57 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.956 0.408 . . . . 74.31 110.725 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -68.38 -19.39 64.62 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 115.527 -0.761 . . . . 62.35 111.047 175.379 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.31 34.87 3.52 Favored Glycine 0 CA--C 1.518 0.223 0 CA-C-N 115.813 -0.631 . . . . 52.42 111.963 -177.481 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -144.7 -135.61 2.92 Favored Glycine 0 C--N 1.331 0.255 0 N-CA-C 111.473 -0.651 . . . . 74.12 111.473 178.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 -126.21 163.17 23.76 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.917 -0.401 . . . . 72.25 109.917 178.2 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -150.61 147.13 27.04 Favored 'General case' 0 C--O 1.239 0.527 0 CA-C-N 116.345 -0.389 . . . . 73.43 110.497 -177.502 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -113.76 134.88 54.5 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 115.404 -0.816 . . . . 75.45 109.775 -176.274 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.481 ' HB2' ' SD ' ' B' ' 1' ' ' MET . 11.4 t70 -133.07 112.11 11.52 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.125 -0.694 . . . . 62.1 109.125 -178.243 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.417 ' O ' ' HA ' ' A' ' 134' ' ' VAL . 2.4 p -113.99 117.72 56.31 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.258 0 CA-C-O 121.292 0.567 . . . . 41.42 112.122 -174.379 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.509 ' HA ' ' HB2' ' A' ' 135' ' ' ARG . 42.7 mt-10 -88.05 104.26 16.49 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.607 -0.724 . . . . 51.52 109.36 175.576 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 14.2 tp -93.91 110.74 22.39 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.342 -0.614 . . . . 73.33 109.342 -178.164 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.55 ' HA ' ' O ' ' A' ' 137' ' ' VAL . 53.5 mtt-85 -99.49 124.36 44.59 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.583 -0.735 . . . . 73.43 110.38 -174.323 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 43.9 t -111.91 98.33 6.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 116.269 -0.423 . . . . 72.23 110.316 -176.272 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -91.72 101.4 14.01 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.964 0.411 . . . . 73.1 109.946 -179.632 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.44 ' HB2' HD23 ' A' ' 106' ' ' LEU . 26.7 mt -112.97 114.75 48.79 Favored Pre-proline 0 C--N 1.326 -0.42 0 CA-C-N 115.771 -0.649 . . . . 73.31 109.996 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 66.9 Cg_endo -73.79 152.45 47.27 Favored 'Trans proline' 0 C--O 1.235 0.334 0 C-N-CA 122.63 2.22 . . . . 73.52 111.824 179.256 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 68.28 15.06 67.38 Favored Glycine 0 CA--C 1.52 0.368 0 CA-C-N 115.854 -0.612 . . . . 54.45 112.686 -178.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.44 HD23 ' HB2' ' A' ' 103' ' ' LEU . 35.6 tp -126.72 141.41 51.85 Favored 'General case' 0 N--CA 1.464 0.236 0 C-N-CA 122.478 0.311 . . . . 65.03 110.28 -177.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -78.4 163.59 25.52 Favored 'General case' 0 CA--C 1.509 -0.606 0 CA-C-N 116.498 -0.319 . . . . 72.42 111.002 -179.67 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.559 ' O ' ' HG2' ' A' ' 112' ' ' LYS . . . -66.91 -44.53 80.54 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.428 -0.805 . . . . 74.35 109.748 169.674 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -58.89 -50.46 73.95 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 115.632 -0.713 . . . . 64.13 110.865 -176.653 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 0.49 ' O ' ' HG ' ' A' ' 114' ' ' LEU . . . -70.21 -44.45 68.62 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.865 -0.607 . . . . 73.25 109.972 179.451 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -54.74 -35.09 63.36 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 115.77 -0.65 . . . . 54.13 111.746 179.813 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 112' ' ' LYS . . . . . 0.559 ' HG2' ' O ' ' A' ' 108' ' ' ALA . 12.5 mmmm -52.08 -49.43 63.55 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 120.896 0.379 . . . . 74.23 110.945 179.281 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 113' ' ' THR . . . . . 0.419 HG22 ' O ' ' A' ' 110' ' ' ALA . 2.2 t -79.85 -36.31 36.92 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 116.175 -0.466 . . . . 74.22 110.435 -176.132 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.49 ' HG ' ' O ' ' A' ' 110' ' ' ALA . 33.6 mt -60.8 -51.05 70.99 Favored 'General case' 0 C--O 1.228 -0.057 0 CA-C-N 115.986 -0.552 . . . . 61.01 110.905 -178.33 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.465 HG21 HG12 ' A' ' 138' ' ' VAL . 93.5 t -62.99 -38.65 82.58 Favored 'Isoleucine or valine' 0 C--O 1.236 0.395 0 CA-C-O 120.985 0.421 . . . . 72.22 110.483 178.896 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -54.91 -59.82 4.21 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 115.667 -0.697 . . . . 63.5 110.504 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 13.1 ptm180 -69.49 -34.33 74.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.676 -0.693 . . . . 65.24 110.675 -177.58 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 118' ' ' ALA . . . . . 0.508 ' HA ' HG22 ' A' ' 121' ' ' VAL . . . -57.79 -36.95 72.89 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 115.857 -0.61 . . . . 63.41 110.549 177.625 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 119' ' ' HIS . . . . . 0.498 ' O ' ' HB3' ' A' ' 123' ' ' PRO . 3.8 t-80 -67.55 -9.69 44.93 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 115.737 -0.665 . . . . 74.13 111.157 -178.535 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 120' ' ' HIS . . . . . 0.448 ' HB2' ' NH1' ' A' ' 129' ' ' ARG . 20.2 t-160 -108.7 -42.85 4.4 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 116.603 -0.271 . . . . 75.14 111.403 175.864 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.508 HG22 ' HA ' ' A' ' 118' ' ' ALA . 27.6 m -81.93 -19.66 10.75 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.302 0 N-CA-C 111.637 0.236 . . . . 74.54 111.637 -174.904 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 122' ' ' CYS . . . . . 0.515 ' N ' ' HD3' ' A' ' 123' ' ' PRO . 53.9 t -141.71 57.12 6.66 Favored Pre-proline 0 CA--C 1.535 0.391 0 CA-C-O 120.757 0.313 . . . . 72.12 110.943 -179.384 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 123' ' ' PRO . . . . . 0.515 ' HD3' ' N ' ' A' ' 122' ' ' CYS . 36.2 Cg_endo -100.03 -168.99 0.09 OUTLIER 'Trans proline' 0 N--CA 1.453 -0.878 0 C-N-CA 123.271 2.647 . . . . 74.45 112.234 -179.841 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -102.76 -4.94 24.25 Favored 'General case' 0 CA--C 1.534 0.336 0 N-CA-C 108.989 -0.745 . . . . 65.44 108.989 173.174 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 125' ' ' SER . . . . . 0.446 ' O ' HG22 ' A' ' 128' ' ' THR . 42.5 t 171.2 164.3 0.08 Allowed 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 114.866 -1.061 . . . . 62.44 108.77 179.675 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 28.2 p-10 -72.21 -31.94 66.32 Favored 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 108.7 -0.852 . . . . 73.42 108.7 173.688 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 127' ' ' ALA . . . . . 0.629 ' O ' ' HB3' ' A' ' 131' ' ' ASN . . . -71.48 6.81 1.64 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 114.9 -1.046 . . . . 54.1 111.713 -179.5 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 128' ' ' THR . . . . . 0.446 HG22 ' O ' ' A' ' 125' ' ' SER . 3.3 t -92.84 -1.63 56.6 Favored 'General case' 0 CA--C 1.514 -0.433 0 N-CA-C 108.592 -0.892 . . . . 73.21 108.592 -171.937 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 129' ' ' ARG . . . . . 0.448 ' NH1' ' HB2' ' A' ' 120' ' ' HIS . 13.8 ptm180 -127.85 -46.76 1.4 Allowed 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 115.161 -0.927 . . . . 72.04 111.782 -178.386 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -78.48 -48.12 16.0 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-O 121.455 0.645 . . . . 71.52 110.858 177.809 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 131' ' ' ASN . . . . . 0.629 ' HB3' ' O ' ' A' ' 127' ' ' ALA . 64.3 t30 -77.94 -43.51 29.62 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 114.984 -1.007 . . . . 72.12 111.1 -175.125 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 58.9 t -101.94 136.08 35.7 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.261 0 CA-C-N 116.352 -0.385 . . . . 70.22 110.464 -178.538 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -82.35 99.55 9.44 Favored 'General case' 0 C--O 1.239 0.51 0 CA-C-O 121.159 0.504 . . . . 45.42 110.987 -179.044 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 134' ' ' VAL . . . . . 0.417 ' HA ' ' O ' ' A' ' 97' ' ' VAL . 13.7 t -118.34 113.91 43.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.654 -0.703 . . . . 75.02 110.965 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 135' ' ' ARG . . . . . 0.509 ' HB2' ' HA ' ' A' ' 98' ' ' GLU . 11.2 mmt180 -75.18 103.66 5.44 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.052 -0.721 . . . . 72.41 109.052 175.581 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.43 HD23 ' HA ' ' A' ' 136' ' ' LEU . 31.2 mt -77.2 108.64 10.45 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.087 0.47 . . . . 50.04 110.107 177.092 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 137' ' ' VAL . . . . . 0.55 ' O ' ' HA ' ' A' ' 100' ' ' ARG . 0.1 OUTLIER -119.94 117.1 52.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.33 -0.85 . . . . 74.42 109.658 -179.32 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 138' ' ' VAL . . . . . 0.465 HG12 HG21 ' A' ' 115' ' ' VAL . 2.5 m -88.61 138.87 18.32 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 115.598 -0.728 . . . . 53.11 109.818 -177.272 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.316 -0.849 0 CA-C-N 115.918 -0.583 . . . . 73.13 110.808 -177.903 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 1' ' ' MET . . . . . 0.481 ' SD ' ' HB2' ' A' ' 96' ' ' ASP . 28.3 ptm . . . . . 0 C--O 1.234 0.263 0 CA-C-O 120.841 0.353 . . . . 72.42 110.733 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 2' ' ' ASN . . . . . 0.428 ' O ' ' HD2' ' A' ' 87' ' ' PRO . 43.8 t30 -95.74 85.66 4.19 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.713 -0.676 . . . . 61.35 109.799 -179.092 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 3' ' ' ILE . . . . . 0.457 HG21 ' HB2' ' B' ' 6' ' ' LYS . 33.0 mm -71.56 120.79 20.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 116.004 -0.544 . . . . 72.42 111.656 179.378 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.503 ' HG ' ' HD3' ' A' ' 87' ' ' PRO . 90.5 mt -82.73 -45.27 14.63 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.288 -0.869 . . . . 75.25 110.092 177.035 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 5' ' ' TYR . . . . . . . . . . . . . 51.9 t80 -135.51 131.4 36.0 Favored 'General case' 0 C--O 1.223 -0.301 0 CA-C-N 116.097 -0.502 . . . . 75.45 110.459 -178.202 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 6' ' ' LYS . . . . . 0.457 ' HB2' HG21 ' B' ' 3' ' ' ILE . 38.7 ttmt -136.73 143.02 43.1 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.09 -0.504 . . . . 65.01 110.488 178.811 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 15.0 t -147.92 153.05 38.57 Favored 'General case' 0 C--O 1.236 0.376 0 N-CA-C 109.095 -0.706 . . . . 72.52 109.095 179.49 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 8' ' ' ALA . . . . . 0.469 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . . . -120.41 145.9 46.73 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 121.291 0.567 . . . . 64.22 112.233 -172.691 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 9' ' ' ALA . . . . . 0.641 ' HA ' ' H ' ' B' ' 22' ' ' HIS . . . -130.23 135.6 48.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.669 -0.696 . . . . 31.45 109.889 174.852 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 92.4 m -120.39 122.39 40.65 Favored 'General case' 0 N--CA 1.446 -0.648 0 N-CA-C 108.992 -0.744 . . . . 64.31 108.992 -173.393 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 49.8 m -124.84 131.4 53.44 Favored 'General case' 0 C--N 1.314 -0.966 0 CA-C-N 116.271 -0.422 . . . . 74.14 111.141 -174.628 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 7.3 m -108.29 159.3 16.75 Favored 'General case' 0 C--O 1.239 0.517 0 CA-C-N 116.081 -0.509 . . . . 53.42 110.951 -177.562 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -84.76 75.28 2.38 Favored Glycine 0 N--CA 1.445 -0.741 0 CA-C-N 115.861 -0.609 . . . . 71.12 111.857 175.546 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -69.49 -145.21 0.2 Allowed Glycine 0 C--N 1.336 0.54 0 C-N-CA 121.307 -0.473 . . . . 73.4 112.379 176.209 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 15' ' ' ARG . . . . . 0.511 ' HG3' ' HB2' ' B' ' 41' ' ' ALA . 7.2 tpp180 -51.88 -52.96 46.04 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 116.809 0.304 . . . . 65.14 110.668 178.753 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 16' ' ' ASP . . . . . 0.481 ' HB3' ' HA ' ' B' ' 31' ' ' SER . 9.0 t70 -125.75 -42.97 1.89 Allowed 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 108.743 -0.836 . . . . 65.33 108.743 172.51 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 17' ' ' GLY . . . . . 0.417 ' O ' ' HG3' ' B' ' 29' ' ' LYS . . . -166.57 159.47 32.8 Favored Glycine 0 C--N 1.342 0.887 0 N-CA-C 111.199 -0.76 . . . . 74.22 111.199 165.287 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 18' ' ' ARG . . . . . 0.572 ' HA ' ' HA ' ' B' ' 29' ' ' LYS . 4.4 tmm_? -140.66 118.81 11.98 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 117.322 0.561 . . . . 74.4 109.893 178.916 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -111.52 124.03 51.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.466 -0.334 . . . . 64.21 110.656 -176.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 76.2 m -131.31 112.91 13.18 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.191 -0.458 . . . . 75.11 110.0 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 21' ' ' SER . . . . . 0.606 ' HB3' ' N ' ' B' ' 26' ' ' LEU . 29.2 t -65.25 107.91 1.74 Allowed 'General case' 0 C--O 1.247 0.965 0 N-CA-C 107.655 -1.239 . . . . 74.21 107.655 176.665 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 22' ' ' HIS . . . . . 0.641 ' H ' ' HA ' ' B' ' 9' ' ' ALA . 7.8 t-80 -47.85 -38.02 15.18 Favored 'General case' 0 N--CA 1.467 0.413 0 O-C-N 126.205 2.191 . . . . 73.12 113.082 -166.668 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -80.14 25.73 0.37 Allowed 'General case' 0 C--N 1.317 -0.832 0 CA-C-O 121.148 0.499 . . . . 63.54 110.901 -176.262 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 24' ' ' GLN . . . . . 0.413 ' H ' ' C ' ' B' ' 22' ' ' HIS . 26.6 mm-40 69.6 21.41 6.67 Favored 'General case' 0 CA--C 1.519 -0.227 0 CA-C-N 115.2 -0.909 . . . . 71.43 110.358 173.427 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 25' ' ' LYS . . . . . 0.552 ' HB2' ' OG ' ' B' ' 21' ' ' SER . 18.2 mmtm -86.88 -24.82 24.74 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.135 -0.939 . . . . 41.25 111.297 -179.413 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 26' ' ' LEU . . . . . 0.606 ' N ' ' HB3' ' B' ' 21' ' ' SER . 31.8 tp -156.44 152.04 26.97 Favored 'General case' 0 CA--C 1.505 -0.767 0 C-N-CA 119.902 -0.719 . . . . 71.52 111.679 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -159.8 94.15 1.12 Allowed 'General case' 0 N--CA 1.447 -0.601 0 CA-C-N 115.34 -0.845 . . . . 53.33 110.32 -179.321 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 4.6 m -144.25 177.74 1.96 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.405 0 CA-C-O 121.553 0.692 . . . . 74.12 111.898 179.287 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 29' ' ' LYS . . . . . 0.572 ' HA ' ' HA ' ' B' ' 18' ' ' ARG . 24.7 ttmt -123.98 140.91 52.51 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 114.849 -1.069 . . . . 64.31 109.813 178.83 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 30' ' ' LEU . . . . . 0.742 ' HA ' ' H ' ' B' ' 44' ' ' THR . 0.0 OUTLIER -126.12 169.92 12.31 Favored 'General case' 0 C--O 1.253 1.26 0 CA-C-N 116.258 -0.428 . . . . 72.32 109.968 177.924 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 31' ' ' SER . . . . . 0.481 ' HA ' ' HB3' ' B' ' 16' ' ' ASP . 21.8 m -159.02 134.52 8.57 Favored 'General case' 0 N--CA 1.446 -0.657 0 CA-C-N 115.634 -0.712 . . . . 62.35 111.914 -174.058 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 32' ' ' ALA . . . . . 0.41 ' O ' ' N ' ' B' ' 34' ' ' ARG . . . -90.61 93.73 0.55 Allowed Pre-proline 0 N--CA 1.444 -0.728 0 N-CA-C 107.037 -1.468 . . . . 75.13 107.037 162.364 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 33' ' ' PRO . . . . . 0.512 ' O ' ' HG2' ' B' ' 35' ' ' GLU . 56.4 Cg_endo -66.27 65.18 0.49 Allowed 'Trans proline' 0 C--N 1.354 0.852 0 C-N-CA 123.357 2.705 . . . . 71.3 113.112 -167.31 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 34' ' ' ARG . . . . . 0.505 ' O ' ' N ' ' B' ' 36' ' ' LEU . 19.2 mmt180 50.48 -96.73 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.849 -0.614 . . . . 71.43 111.47 -176.176 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 35' ' ' GLU . . . . . 0.512 ' HG2' ' O ' ' B' ' 33' ' ' PRO . 12.9 mm-40 50.07 -74.55 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 O-C-N 124.203 0.939 . . . . 72.42 112.588 -177.506 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.677 ' HG ' HD12 ' B' ' 85' ' ' ILE . 1.3 mm? -85.63 -36.05 20.57 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.827 -0.805 . . . . 63.52 108.827 -175.5 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 152.29 39.38 0.03 OUTLIER Glycine 0 N--CA 1.448 -0.555 0 CA-C-N 114.668 -1.151 . . . . 51.22 111.489 -179.538 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 38' ' ' GLY . . . . . 0.424 ' H ' ' HA ' ' B' ' 34' ' ' ARG . . . -77.65 -128.0 0.4 Allowed Glycine 0 C--N 1.336 0.532 0 C-N-CA 120.491 -0.861 . . . . 64.12 111.742 -178.382 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 39' ' ' ALA . . . . . 0.478 ' HB3' ' OD1' ' B' ' 16' ' ' ASP . . . -116.01 -47.11 2.79 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.972 -0.381 . . . . 71.25 109.972 176.466 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 114.18 103.06 2.51 Favored Glycine 0 C--N 1.331 0.304 0 C-N-CA 121.103 -0.57 . . . . 53.13 112.489 176.327 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 41' ' ' ALA . . . . . 0.511 ' HB2' ' HG3' ' B' ' 15' ' ' ARG . . . -168.7 -176.26 2.69 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.88 0.371 . . . . 45.11 111.689 179.197 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -110.98 17.78 20.13 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 116.066 -0.515 . . . . 74.14 111.624 -174.798 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -79.11 -164.17 27.0 Favored Glycine 0 CA--C 1.52 0.406 0 C-N-CA 121.018 -0.61 . . . . 72.12 112.754 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 44' ' ' THR . . . . . 0.742 ' H ' ' HA ' ' B' ' 30' ' ' LEU . 25.7 m -93.1 136.96 32.88 Favored 'General case' 0 CA--C 1.533 0.315 0 O-C-N 122.859 -0.201 . . . . 35.03 110.827 -175.533 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 13.1 m120 -61.1 119.62 47.1 Favored Pre-proline 0 N--CA 1.466 0.334 0 O-C-N 122.968 0.168 . . . . 71.14 110.984 179.461 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 46' ' ' PRO . . . . . 0.598 ' HB3' ' SG ' ' A' ' 57' ' ' CYS . 72.3 Cg_exo -50.61 -40.17 55.46 Favored 'Trans proline' 0 C--N 1.349 0.57 0 C-N-CA 122.912 2.408 . . . . 54.41 112.051 174.341 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 47' ' ' GLU . . . . . 0.433 ' CD ' ' H ' ' B' ' 47' ' ' GLU . 2.0 mp0 -58.2 -49.75 75.94 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 121.548 0.689 . . . . 73.03 109.179 177.722 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 48' ' ' GLN . . . . . 0.451 ' OE1' ' HB2' ' A' ' 21' ' ' SER . 1.1 tm0? -62.85 -36.13 82.23 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 114.758 -1.11 . . . . 65.22 109.983 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 49' ' ' LEU . . . . . 0.56 HD12 ' HA3' ' A' ' 53' ' ' GLY . 2.7 tm? -61.43 -54.25 46.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.845 -0.616 . . . . 73.15 110.233 -178.21 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 30.7 t80 -63.2 -41.97 99.24 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 116.759 -0.201 . . . . 74.53 110.474 177.69 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -51.94 -52.99 46.35 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.166 -0.47 . . . . 63.22 110.791 176.886 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 52' ' ' ALA . . . . . 0.609 ' HB1' ' HB1' ' A' ' 19' ' ' ALA . . . -66.95 -41.7 86.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.713 -0.676 . . . . 74.31 110.877 -178.128 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 53' ' ' GLY . . . . . 0.414 ' HA3' HD12 ' A' ' 49' ' ' LEU . . . -60.35 -48.42 86.23 Favored Glycine 0 N--CA 1.451 -0.34 0 CA-C-N 115.764 -0.653 . . . . 73.22 112.256 179.084 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -69.98 -36.67 75.37 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 110.162 -0.31 . . . . 73.14 110.162 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 8.7 t -61.4 -49.8 75.42 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.138 0.494 . . . . 71.55 109.924 179.317 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 56' ' ' ALA . . . . . 0.47 ' HB1' HD21 ' A' ' 30' ' ' LEU . . . -69.38 -43.04 74.33 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 115.946 -0.57 . . . . 72.32 110.641 179.594 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 57' ' ' CYS . . . . . 0.909 ' HG ' ' HE2' ' B' ' 124' ' ' TYR . 38.6 t -60.65 -36.26 78.25 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 116.007 -0.542 . . . . 72.4 110.202 179.19 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 58' ' ' PHE . . . . . 0.833 ' HE2' ' HG ' ' B' ' 122' ' ' CYS . 41.0 t80 -65.81 -35.29 80.26 Favored 'General case' 0 N--CA 1.454 -0.268 0 N-CA-C 109.311 -0.626 . . . . 52.32 109.311 179.603 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 59' ' ' LEU . . . . . 0.595 ' O ' ' HG2' ' B' ' 63' ' ' LYS . 28.8 tp -71.41 -37.42 71.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.329 -0.85 . . . . 64.41 110.116 178.911 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 43.2 m -63.77 -45.26 90.59 Favored 'General case' 0 C--O 1.24 0.574 0 CA-C-O 121.397 0.618 . . . . 73.23 110.097 174.379 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 61' ' ' ALA . . . . . 0.457 ' O ' HG23 ' B' ' 65' ' ' VAL . . . -59.71 -37.4 78.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.883 -0.598 . . . . 44.1 109.573 174.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 62' ' ' MET . . . . . 0.431 ' HG3' ' CD1' ' B' ' 73' ' ' LEU . 4.5 tpt -62.78 -37.58 87.23 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-N 115.39 -0.823 . . . . 71.0 110.013 176.539 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 63' ' ' LYS . . . . . 0.595 ' HG2' ' O ' ' B' ' 59' ' ' LEU . 31.5 mmtp -58.64 -52.26 66.45 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-O 121.417 0.627 . . . . 72.03 109.315 174.683 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 61.0 t80 -61.77 -44.62 96.52 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 114.95 -1.023 . . . . 73.11 110.84 -176.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 65' ' ' VAL . . . . . 0.457 HG23 ' O ' ' B' ' 61' ' ' ALA . 54.8 t -55.98 -52.43 49.82 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 116.429 -0.35 . . . . 75.05 110.251 177.934 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -55.81 -34.03 64.96 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.137 0.494 . . . . 74.13 110.139 177.344 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -70.08 -31.5 69.39 Favored Glycine 0 N--CA 1.451 -0.341 0 CA-C-N 115.281 -0.872 . . . . 75.04 112.534 -176.577 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -94.5 -16.94 22.89 Favored 'General case' 0 CA--C 1.522 -0.12 0 N-CA-C 109.286 -0.635 . . . . 64.5 109.286 -179.01 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 -89.56 -1.89 58.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.183 -0.917 . . . . 65.21 110.541 177.711 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 10.6 mptt 61.98 24.3 14.44 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-N 115.927 -0.579 . . . . 73.12 111.462 177.824 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -115.12 163.37 15.72 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.698 -0.683 . . . . 74.24 110.017 178.892 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 24.4 p -125.96 136.62 53.22 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.357 -0.383 . . . . 74.12 110.432 -179.727 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 73' ' ' LEU . . . . . 0.431 ' CD1' ' HG3' ' B' ' 62' ' ' MET . 93.5 mt -109.36 144.97 30.88 Favored Pre-proline 0 C--N 1.326 -0.427 0 CA-C-N 115.943 -0.572 . . . . 75.15 110.312 -177.742 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 74' ' ' PRO . . . . . 0.547 ' HD2' HD11 ' B' ' 103' ' ' LEU . 39.9 Cg_exo -58.65 149.08 78.81 Favored 'Trans proline' 0 C--N 1.349 0.583 0 C-N-CA 122.794 2.329 . . . . 62.01 112.812 -179.51 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -76.24 -23.28 54.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.588 0.709 . . . . 71.53 110.818 178.532 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -80.9 19.01 0.9 Allowed 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 114.767 -1.106 . . . . 60.22 111.487 -172.791 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 77' ' ' THR . . . . . 0.42 ' HB ' HD12 ' B' ' 103' ' ' LEU . 8.8 t -92.86 157.54 16.33 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.058 0.456 . . . . 73.25 111.207 -176.696 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 57.6 m -152.95 151.02 29.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.898 -0.592 . . . . 71.23 110.266 -179.271 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 94.4 t -124.41 122.41 63.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 N-CA-C 109.032 -0.729 . . . . 54.24 109.032 175.083 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 80' ' ' THR . . . . . 0.561 ' HA ' ' HA ' ' A' ' 10' ' ' THR . 19.0 m -106.52 106.78 17.47 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-O 120.891 0.377 . . . . 72.42 111.118 -175.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -93.16 115.09 27.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.994 -0.548 . . . . 73.43 110.226 179.541 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 82' ' ' GLU . . . . . 0.448 ' HA ' ' HA ' ' A' ' 8' ' ' ALA . 36.1 tt0 -116.34 108.49 16.14 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.013 -0.736 . . . . 71.23 109.013 178.687 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 83' ' ' VAL . . . . . 0.493 HG12 HG13 ' B' ' 97' ' ' VAL . 23.7 m -107.41 150.73 9.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.163 -0.471 . . . . 71.44 110.942 -173.569 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 84' ' ' GLY . . . . . 0.442 ' HA2' ' HA ' ' A' ' 6' ' ' LYS . . . -143.04 164.86 27.11 Favored Glycine 0 N--CA 1.443 -0.874 0 CA-C-N 116.066 -0.516 . . . . 52.45 112.039 -179.416 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 85' ' ' ILE . . . . . 0.677 HD12 ' HG ' ' B' ' 36' ' ' LEU . 0.0 OUTLIER -136.3 130.91 48.19 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.778 0 N-CA-C 108.751 -0.833 . . . . 73.1 108.751 179.619 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 86' ' ' GLY . . . . . 0.405 ' HA2' ' HG ' ' A' ' 4' ' ' LEU . . . -141.54 169.72 25.04 Favored Glycine 0 N--CA 1.451 -0.324 0 CA-C-N 115.342 -0.844 . . . . 52.3 111.296 179.777 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 87' ' ' PRO . . . . . 0.701 ' HD3' ' HG ' ' A' ' 4' ' ' LEU . 3.4 Cg_exo -78.28 122.0 5.49 Favored 'Trans proline' 0 N--CA 1.457 -0.665 0 C-N-CA 122.759 2.306 . . . . 61.3 111.912 -177.786 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 88' ' ' ASN . . . . . . . . . . . . . 56.9 t-20 -69.14 136.7 52.57 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 108.532 -0.914 . . . . 72.3 108.532 174.922 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -61.95 -16.98 55.24 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.897 0.38 . . . . 65.22 111.198 -179.036 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -67.42 -20.63 65.55 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-O 121.475 0.655 . . . . 74.05 110.674 174.837 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.38 35.2 3.41 Favored Glycine 0 N--CA 1.453 -0.176 0 CA-C-N 115.628 -0.714 . . . . 72.2 111.75 -177.727 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . -140.67 -148.43 5.12 Favored Glycine 0 N--CA 1.452 -0.299 0 N-CA-C 110.789 -0.924 . . . . 70.13 110.789 177.715 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 93' ' ' PHE . . . . . 0.405 ' CD2' HD11 ' B' ' 85' ' ' ILE . 60.6 m-85 -118.82 154.74 32.37 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 117.081 0.441 . . . . 73.12 110.194 178.015 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -141.14 136.17 31.6 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.913 -0.585 . . . . 62.21 109.876 -178.117 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -99.95 132.47 45.28 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.154 -0.476 . . . . 74.21 110.844 -178.063 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 96' ' ' ASP . . . . . 0.5 ' HB3' HD11 ' A' ' 3' ' ' ILE . 31.3 t70 -119.09 115.88 25.2 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.131 -0.94 . . . . 73.53 109.509 179.354 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 97' ' ' VAL . . . . . 0.613 ' HB ' HG22 ' B' ' 134' ' ' VAL . 61.3 t -113.68 111.65 36.95 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-N 116.342 -0.39 . . . . 65.34 110.664 -176.196 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 98' ' ' GLU . . . . . 0.441 ' HG2' ' HB3' ' B' ' 135' ' ' ARG . 34.0 mt-10 -104.39 106.44 16.93 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.993 0.425 . . . . 74.42 109.975 178.575 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 96.3 mt -93.94 116.65 29.11 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 115.849 -0.614 . . . . 61.12 110.389 -177.42 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 100' ' ' ARG . . . . . 0.568 ' HA ' ' O ' ' B' ' 137' ' ' VAL . 79.7 mtt180 -99.45 129.38 45.63 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.108 -0.496 . . . . 64.11 110.128 -178.874 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 101' ' ' VAL . . . . . 0.453 HG21 HG22 ' B' ' 115' ' ' VAL . 73.0 t -110.31 111.32 35.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.415 -0.357 . . . . 60.12 110.927 -178.327 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -111.4 101.64 10.08 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.859 0.361 . . . . 53.32 110.395 177.509 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 103' ' ' LEU . . . . . 0.764 HD23 HD22 ' B' ' 106' ' ' LEU . 34.6 tp -114.47 119.19 40.4 Favored Pre-proline 0 C--N 1.328 -0.366 0 N-CA-C 109.024 -0.732 . . . . 72.24 109.024 177.403 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 104' ' ' PRO . . . . . 0.551 ' HD2' HD12 ' B' ' 103' ' ' LEU . 50.5 Cg_endo -70.78 147.98 57.45 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.552 2.168 . . . . 74.24 112.354 -177.369 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 105' ' ' GLY . . . . . . . . . . . . . . . 72.08 15.45 76.51 Favored Glycine 0 CA--C 1.521 0.418 0 CA-C-N 115.585 -0.734 . . . . 72.34 112.418 -178.475 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 106' ' ' LEU . . . . . 0.764 HD22 HD23 ' B' ' 103' ' ' LEU . 27.1 tp -121.49 146.68 46.68 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 122.787 0.435 . . . . 60.53 111.087 -177.105 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -91.46 148.97 21.92 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 115.909 -0.587 . . . . 63.12 110.745 173.632 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 108' ' ' ALA . . . . . 0.521 ' O ' ' HG3' ' B' ' 112' ' ' LYS . . . -63.35 -39.67 95.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 34.32 110.819 -178.362 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -55.62 -45.11 77.6 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 116.156 -0.474 . . . . 64.51 111.109 -179.233 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 110' ' ' ALA . . . . . 0.561 ' O ' HG22 ' B' ' 113' ' ' THR . . . -73.96 -39.23 63.86 Favored 'General case' 0 C--O 1.239 0.537 0 CA-C-O 121.316 0.579 . . . . 72.03 110.229 177.155 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 111' ' ' ALA . . . . . 0.453 ' O ' HG23 ' B' ' 115' ' ' VAL . . . -54.7 -36.38 64.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.584 -0.734 . . . . 64.14 110.675 179.155 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 112' ' ' LYS . . . . . 0.521 ' HG3' ' O ' ' B' ' 108' ' ' ALA . 62.6 mtpt -56.09 -44.19 78.75 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 115.874 -0.603 . . . . 74.45 111.284 178.77 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 113' ' ' THR . . . . . 0.561 HG22 ' O ' ' B' ' 110' ' ' ALA . 1.6 t -75.35 -35.7 61.11 Favored 'General case' 0 N--CA 1.462 0.162 0 N-CA-C 110.225 -0.287 . . . . 72.03 110.225 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 114' ' ' LEU . . . . . 0.453 ' HG ' ' O ' ' B' ' 110' ' ' ALA . 45.4 mt -61.11 -48.84 79.81 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.238 -0.437 . . . . 70.23 110.774 -179.81 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 115' ' ' VAL . . . . . 0.584 HG21 HG12 ' B' ' 138' ' ' VAL . 54.5 t -68.08 -36.14 74.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.192 -0.458 . . . . 63.55 110.415 179.585 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -55.8 -55.06 36.95 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-N 115.647 -0.706 . . . . 75.43 110.553 178.561 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 117' ' ' ARG . . . . . 0.482 ' HG2' ' O ' ' B' ' 113' ' ' THR . 15.8 ptm180 -70.72 -43.21 69.4 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 115.196 -0.911 . . . . 70.2 111.451 -176.549 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -64.67 -47.74 77.32 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 121.062 0.458 . . . . 61.11 111.273 -176.821 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 119' ' ' HIS . . . . . 0.665 ' HA ' ' SG ' ' B' ' 122' ' ' CYS . 43.1 t-80 -78.81 13.66 1.62 Allowed 'General case' 0 CA--C 1.533 0.324 0 CA-C-O 120.999 0.428 . . . . 74.31 110.884 -176.476 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 51.5 t-80 -97.68 -22.38 16.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.573 -0.285 . . . . 61.52 110.546 177.193 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 16.8 m -128.78 40.1 0.82 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.419 0 CA-C-N 116.22 -0.446 . . . . 63.42 110.977 -175.633 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 122' ' ' CYS . . . . . 0.833 ' HG ' ' HE2' ' B' ' 58' ' ' PHE . 35.5 m -65.23 152.86 90.82 Favored Pre-proline 0 CA--C 1.535 0.37 0 CA-C-N 115.601 -0.727 . . . . 74.53 111.369 -177.4 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 123' ' ' PRO . . . . . 0.405 ' HG2' ' HD2' ' B' ' 124' ' ' TYR . 17.1 Cg_endo -58.87 -42.71 49.92 Favored 'Trans proline' 0 C--N 1.355 0.88 0 C-N-CA 122.319 2.013 . . . . 65.25 110.379 171.547 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 124' ' ' TYR . . . . . 0.909 ' HE2' ' HG ' ' B' ' 57' ' ' CYS . 3.8 m-85 . . . . . 0 C--N 1.331 -0.229 0 N-CA-C 106.714 -1.587 . . . . 65.35 106.714 169.564 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 128' ' ' THR . . . . . 0.401 ' O ' HG21 ' B' ' 134' ' ' VAL . 7.5 t . . . . . 0 N--CA 1.449 -0.482 0 N-CA-C 108.555 -0.905 . . . . 55.14 108.555 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 129' ' ' ARG . . . . . 0.466 ' HB3' ' CE1' ' B' ' 119' ' ' HIS . 15.8 ptm180 -130.76 -47.46 1.04 Allowed 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 115.306 -0.861 . . . . 75.21 112.054 -177.388 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 130' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -78.38 -50.15 12.26 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-O 121.117 0.484 . . . . 74.14 111.001 177.34 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 131' ' ' ASN . . . . . . . . . . . . . 48.0 t-20 -69.44 -43.8 72.58 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 115.384 -0.825 . . . . 75.43 110.407 -176.451 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 132' ' ' VAL . . . . . . . . . . . . . 41.8 t -99.23 131.43 46.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.767 -0.652 . . . . 52.13 110.039 179.446 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 133' ' ' ALA . . . . . . . . . . . . . . . -65.62 97.57 0.32 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.286 0.565 . . . . 72.23 110.627 -179.802 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 134' ' ' VAL . . . . . 0.613 HG22 ' HB ' ' B' ' 97' ' ' VAL . 94.6 t -123.61 118.35 54.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.425 -0.807 . . . . 61.1 110.77 -179.089 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 135' ' ' ARG . . . . . 0.441 ' HB3' ' HG2' ' B' ' 98' ' ' GLU . 18.5 tpp180 -86.2 119.28 26.31 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.771 -0.65 . . . . 74.32 109.485 176.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 136' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' B' ' 136' ' ' LEU . 68.2 mt -91.0 108.22 19.72 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-O 121.238 0.542 . . . . 72.41 110.136 176.029 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 137' ' ' VAL . . . . . 0.568 ' O ' ' HA ' ' B' ' 100' ' ' ARG . 0.2 OUTLIER -118.11 116.58 51.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-N 115.12 -0.945 . . . . 72.22 110.624 -176.621 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 138' ' ' VAL . . . . . 0.584 HG12 HG21 ' B' ' 115' ' ' VAL . 3.1 m -96.66 138.67 21.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.406 -0.815 . . . . 70.52 110.015 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 139' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.234 0 CA-C-O 118.405 -0.807 . . . . 71.35 110.861 -177.379 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.414 ' HE1' ' HB3' ' B' ' 94' ' ' ALA . 12.9 ptt? . . . . . 0 N--CA 1.482 1.128 0 CA-C-O 120.763 0.316 . . . . 71.43 110.874 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 42.8 t30 -71.61 79.0 0.81 Allowed 'General case' 0 CA--C 1.531 0.219 0 CA-C-N 115.894 -0.594 . . . . 75.52 110.681 177.671 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.519 HG21 ' HB2' ' A' ' 6' ' ' LYS . 34.2 mm -75.55 137.57 22.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.732 -0.667 . . . . 51.02 111.478 175.739 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.678 ' HG ' ' HD3' ' B' ' 87' ' ' PRO . 76.3 mt -96.26 -45.72 6.72 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.591 -0.731 . . . . 74.21 110.238 174.786 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 16.6 t80 -131.95 125.37 31.44 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 116.25 -0.432 . . . . 54.43 109.893 -177.805 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.519 ' HB2' HG21 ' A' ' 3' ' ' ILE . 32.0 ttmt -137.28 133.36 34.92 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 121.005 0.431 . . . . 62.42 111.258 177.781 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 7.7 t -134.78 148.63 50.27 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-N 115.708 -0.678 . . . . 73.02 109.867 -179.44 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.525 ' HA ' ' HA ' ' B' ' 82' ' ' GLU . . . -114.02 150.53 33.77 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-O 121.096 0.475 . . . . 64.34 111.277 -177.189 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.414 ' HA ' ' HA ' ' A' ' 21' ' ' SER . . . -135.45 121.3 19.76 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.931 -0.577 . . . . 65.14 110.001 175.608 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 88.3 m -98.21 128.07 44.48 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.895 -0.593 . . . . 73.43 110.095 -176.543 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.583 ' HA ' ' O ' ' A' ' 18' ' ' ARG . 97.3 p -112.11 120.62 42.45 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.846 0.355 . . . . 71.32 110.93 178.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 6.1 m -99.55 162.67 12.89 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.417 -0.356 . . . . 72.12 110.398 179.68 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -83.73 74.39 2.52 Favored Glycine 0 CA--C 1.52 0.402 0 C-N-CA 121.067 -0.587 . . . . 62.44 112.637 176.721 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -72.75 -145.54 0.64 Allowed Glycine 0 CA--C 1.525 0.657 0 C-N-CA 121.19 -0.528 . . . . 62.02 112.859 173.387 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 13.8 tpt180 -48.48 -52.27 23.11 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-O 121.002 0.43 . . . . 73.04 110.131 178.004 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.597 ' HB3' ' HA ' ' A' ' 31' ' ' SER . 21.5 t70 -125.52 -42.46 1.95 Allowed 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.006 -1.109 . . . . 74.22 108.006 168.282 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -161.36 162.66 33.98 Favored Glycine 0 N--CA 1.441 -0.98 0 CA-C-N 114.815 -1.084 . . . . 73.12 111.071 171.899 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.613 ' HA ' ' HA ' ' A' ' 29' ' ' LYS . 4.3 ttm180 -133.56 124.4 26.84 Favored 'General case' 0 C--N 1.315 -0.894 0 N-CA-C 108.783 -0.821 . . . . 73.24 108.783 177.192 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -111.23 123.69 50.71 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.879 0.371 . . . . 71.12 110.146 -176.425 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 92.8 m -136.75 111.56 8.8 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.477 -0.329 . . . . 63.53 110.143 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.543 ' HB3' ' N ' ' A' ' 26' ' ' LEU . 29.8 t -67.03 109.14 2.88 Favored 'General case' 0 C--O 1.246 0.9 0 N-CA-C 107.229 -1.397 . . . . 62.3 107.229 176.186 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.413 ' C ' ' H ' ' A' ' 24' ' ' GLN . 11.1 t60 -56.88 -24.53 52.43 Favored 'General case' 0 CA--C 1.52 -0.201 0 O-C-N 126.065 2.103 . . . . 71.44 111.87 -164.78 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -80.49 23.13 0.52 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.215 -0.448 . . . . 73.43 110.188 179.482 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.413 ' H ' ' C ' ' A' ' 22' ' ' HIS . 30.8 mm-40 63.67 21.14 12.57 Favored 'General case' 0 C--N 1.341 0.222 0 C-N-CA 123.485 0.714 . . . . 72.53 110.404 178.631 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.457 ' HB2' ' OG ' ' A' ' 21' ' ' SER . 73.1 mmtt -83.54 -30.14 27.32 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 115.325 -0.852 . . . . 73.44 110.163 -179.024 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.543 ' N ' ' HB3' ' A' ' 21' ' ' SER . 44.6 tp -151.71 148.93 28.49 Favored 'General case' 0 CA--C 1.508 -0.669 0 C-N-CA 120.378 -0.529 . . . . 74.42 111.447 -178.353 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -158.27 94.95 1.33 Allowed 'General case' 0 N--CA 1.444 -0.746 0 CA-C-N 115.489 -0.778 . . . . 74.13 110.475 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.404 ' O ' ' HG2' ' A' ' 18' ' ' ARG . 3.4 m -146.36 177.96 1.26 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.431 0 CA-C-N 115.567 -0.742 . . . . 62.12 111.253 177.616 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.613 ' HA ' ' HA ' ' A' ' 18' ' ' ARG . 0.7 OUTLIER -133.05 145.36 50.72 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.489 -0.778 . . . . 62.42 109.832 179.112 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.68 ' HB3' ' HB ' ' A' ' 44' ' ' THR . 0.0 OUTLIER -126.83 164.84 20.5 Favored 'General case' 0 C--O 1.249 1.058 0 CA-C-O 121.172 0.511 . . . . 64.12 111.118 -179.473 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.597 ' HA ' ' HB3' ' A' ' 16' ' ' ASP . 20.0 p -169.53 113.94 0.53 Allowed 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 115.063 -0.972 . . . . 75.34 110.746 -172.335 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -69.33 131.7 90.12 Favored Pre-proline 0 C--O 1.238 0.498 0 CA-C-N 115.777 -0.647 . . . . 52.21 110.196 178.093 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_exo -52.01 148.24 24.16 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 122.655 2.237 . . . . 73.33 112.178 177.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 9.5 mmt180 -66.66 -1.48 3.8 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 116.213 -0.449 . . . . 50.12 111.3 179.727 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 32.1 mm-40 -59.12 -32.32 69.74 Favored 'General case' 0 CA--C 1.529 0.153 0 O-C-N 123.23 0.331 . . . . 75.14 111.057 178.375 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.469 HD22 ' N ' ' A' ' 36' ' ' LEU . 2.1 mm? -100.39 4.2 43.71 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 121.073 0.463 . . . . 63.44 109.953 177.591 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 80.28 34.43 29.39 Favored Glycine 0 N--CA 1.45 -0.376 0 N-CA-C 111.565 -0.614 . . . . 72.22 111.565 -173.065 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -84.4 -113.13 0.64 Allowed Glycine 0 C--N 1.334 0.441 0 C-N-CA 121.253 -0.499 . . . . 73.44 112.787 -177.249 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -106.04 -48.69 3.55 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.958 0.409 . . . . 63.22 110.793 -178.113 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 101.77 80.41 1.48 Allowed Glycine 0 N--CA 1.452 -0.263 0 CA-C-N 115.857 -0.611 . . . . 45.53 111.884 -177.539 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -175.31 163.19 3.03 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 122.782 0.433 . . . . 44.21 109.859 -177.282 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.47 ' HG3' ' N ' ' A' ' 43' ' ' GLY . 17.3 pt-20 -68.99 -47.2 66.14 Favored 'General case' 0 CA--C 1.508 -0.642 0 CA-C-O 122.238 1.018 . . . . 71.23 109.831 177.174 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.47 ' N ' ' HG3' ' A' ' 42' ' ' GLU . . . 23.71 -142.24 0.01 OUTLIER Glycine 0 C--N 1.296 -1.668 0 CA-C-N 111.419 -2.628 . . . . 55.55 114.715 -178.535 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.68 ' HB ' ' HB3' ' A' ' 30' ' ' LEU . 87.6 m -128.81 150.93 50.1 Favored 'General case' 0 N--CA 1.446 -0.634 0 N-CA-C 108.744 -0.836 . . . . 74.01 108.744 171.294 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.425 ' HB2' ' HB3' ' A' ' 48' ' ' GLN . 6.2 m120 -95.14 131.14 30.65 Favored Pre-proline 0 CA--C 1.534 0.349 0 C-N-CA 122.26 0.224 . . . . 72.33 111.042 -177.923 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 45' ' ' ASN . 52.8 Cg_exo -57.64 -53.72 4.22 Favored 'Trans proline' 0 C--N 1.352 0.715 0 C-N-CA 123.093 2.529 . . . . 63.04 113.155 177.825 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.75 -44.2 97.01 Favored 'General case' 0 N--CA 1.469 0.524 0 N-CA-C 109.876 -0.416 . . . . 62.13 109.876 -179.455 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.607 ' OE1' ' HB2' ' B' ' 21' ' ' SER . 0.7 OUTLIER -53.12 -45.85 68.5 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.686 -0.688 . . . . 72.35 110.608 171.91 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.58 HD12 ' HA3' ' B' ' 53' ' ' GLY . 2.3 tm? -57.26 -50.11 73.93 Favored 'General case' 0 C--O 1.241 0.611 0 CA-C-N 115.643 -0.708 . . . . 71.11 109.36 -175.608 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 84.0 t80 -59.43 -50.7 72.91 Favored 'General case' 0 C--O 1.222 -0.372 0 CA-C-N 115.804 -0.635 . . . . 64.45 110.372 175.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.11 -45.56 75.52 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 116.442 -0.345 . . . . 52.03 111.734 -176.891 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -68.93 -49.3 59.24 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-O 121.035 0.445 . . . . 51.43 110.946 -177.716 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.62 ' HA3' HD12 ' B' ' 49' ' ' LEU . . . -64.08 -28.65 73.15 Favored Glycine 0 C--N 1.332 0.338 0 C-N-CA 120.538 -0.839 . . . . 45.35 111.808 178.504 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.777 ' HA ' ' SG ' ' A' ' 57' ' ' CYS . 1.4 t80 -74.85 -47.88 27.96 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 123.221 0.608 . . . . 71.4 110.444 179.589 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.586 ' HB3' ' HB2' ' A' ' 81' ' ' ALA . 45.7 p -62.06 -36.79 82.7 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.196 0.522 . . . . 50.31 109.82 178.407 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.563 ' HB1' HD21 ' B' ' 30' ' ' LEU . . . -69.83 -49.33 53.64 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-N 115.629 -0.714 . . . . 72.41 111.101 177.475 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.777 ' SG ' ' HA ' ' A' ' 54' ' ' TYR . 21.1 p -61.84 -35.96 79.8 Favored 'General case' 0 C--O 1.223 -0.32 0 N-CA-C 110.042 -0.355 . . . . 74.4 110.042 179.477 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 48.7 t80 -52.61 -44.29 65.92 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 115.823 -0.626 . . . . 64.12 109.621 177.308 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.537 HD21 HG23 ' A' ' 79' ' ' VAL . 94.2 mt -64.77 -46.74 80.85 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.394 -0.821 . . . . 74.12 110.524 176.548 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 35.0 t -55.17 -51.45 66.47 Favored 'General case' 0 C--O 1.238 0.495 0 CA-C-O 121.347 0.594 . . . . 74.4 110.437 179.244 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.424 ' O ' HG23 ' A' ' 65' ' ' VAL . . . -58.92 -39.61 82.07 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.722 -0.672 . . . . 64.15 110.1 177.461 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 2.9 tpt -60.51 -38.24 83.72 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-N 115.989 -0.55 . . . . 61.32 110.387 177.203 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.532 ' NZ ' ' HA ' ' B' ' 16' ' ' ASP . 2.4 mptm? -61.61 -51.91 66.54 Favored 'General case' 0 N--CA 1.468 0.434 0 N-CA-C 109.888 -0.412 . . . . 62.32 109.888 175.373 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 53.7 t80 -58.79 -44.86 90.82 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 115.905 -0.589 . . . . 70.35 110.738 -178.716 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.424 HG23 ' O ' ' A' ' 61' ' ' ALA . 54.9 t -56.83 -49.7 77.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.164 -0.471 . . . . 51.41 110.172 177.421 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -57.92 -32.65 67.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.073 0.463 . . . . 55.45 110.48 177.825 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -68.59 -32.22 74.55 Favored Glycine 0 N--CA 1.451 -0.332 0 CA-C-N 115.23 -0.896 . . . . 65.01 111.929 -177.326 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -97.96 -13.13 21.31 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.46 -0.57 . . . . 73.33 109.46 -179.386 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -95.4 -0.8 52.12 Favored 'General case' 0 CA--C 1.517 -0.306 0 CA-C-N 115.351 -0.841 . . . . 73.35 110.909 176.832 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 23.1 mmtm 61.3 24.54 14.63 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.455 -0.793 . . . . 70.5 111.118 171.722 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -116.6 163.98 15.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.3 -0.409 . . . . 65.11 110.542 -176.628 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 29.8 p -110.84 134.31 52.64 Favored 'General case' 0 C--O 1.237 0.422 0 CA-C-O 121.159 0.504 . . . . 71.13 111.89 -174.83 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 71.0 mt -109.58 140.4 22.1 Favored Pre-proline 0 C--N 1.327 -0.383 0 CA-C-N 115.53 -0.759 . . . . 63.13 110.429 176.674 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.547 ' HD2' HD11 ' A' ' 103' ' ' LEU . 23.3 Cg_exo -66.3 132.65 30.15 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.365 2.044 . . . . 75.32 111.21 173.451 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -77.03 -8.44 57.43 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 112.246 0.461 . . . . 74.43 112.246 -175.796 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -90.56 11.98 20.23 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.25 0.548 . . . . 72.44 111.276 -177.429 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.515 ' HB ' HD12 ' A' ' 103' ' ' LEU . 8.3 t -73.58 160.62 31.37 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.011 -0.54 . . . . 73.42 111.514 -178.349 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.551 HG22 ' HA ' ' B' ' 12' ' ' THR . 1.3 p -151.75 150.17 29.88 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.626 -0.716 . . . . 65.01 111.245 -174.815 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.537 HG23 HD21 ' A' ' 59' ' ' LEU . 97.8 t -133.54 135.08 56.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.679 -0.691 . . . . 73.54 109.185 174.885 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 25.5 m -117.88 109.42 16.51 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.682 0.277 . . . . 61.0 110.472 179.58 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.586 ' HB2' ' HB3' ' A' ' 55' ' ' SER . . . -94.73 108.95 20.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 75.0 109.919 178.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.442 ' HA ' ' HA ' ' B' ' 8' ' ' ALA . 24.6 tt0 -105.9 107.67 18.79 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.134 -0.691 . . . . 74.0 109.134 178.712 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.68 HG23 HG22 ' A' ' 97' ' ' VAL . 6.0 p -107.51 137.46 38.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.971 -0.559 . . . . 74.25 111.165 -172.272 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.447 ' HA2' ' HA ' ' B' ' 6' ' ' LYS . . . -134.02 162.2 24.46 Favored Glycine 0 N--CA 1.445 -0.754 0 C-N-CA 121.174 -0.536 . . . . 64.22 112.465 178.353 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -133.44 134.13 57.17 Favored 'Isoleucine or valine' 0 C--O 1.24 0.601 0 N-CA-C 109.132 -0.692 . . . . 71.32 109.132 179.155 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -155.35 169.85 33.33 Favored Glycine 0 N--CA 1.452 -0.27 0 N-CA-C 111.119 -0.792 . . . . 64.2 111.119 178.654 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.478 ' HD3' ' HG ' ' B' ' 4' ' ' LEU . 51.8 Cg_endo -71.08 132.61 21.54 Favored 'Trans proline' 0 N--CA 1.459 -0.542 0 C-N-CA 122.034 1.822 . . . . 75.13 111.518 177.923 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' ASN . . . . . 0.454 ' HB2' ' HB2' ' A' ' 94' ' ' ALA . 51.9 t30 -78.82 158.74 28.1 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.452 -0.794 . . . . 63.43 109.618 -179.467 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -59.38 -25.25 64.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.038 0.447 . . . . 74.31 110.824 178.632 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -70.0 -22.36 63.13 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 115.821 -0.627 . . . . 62.35 111.003 177.052 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.54 3.43 43.64 Favored Glycine 0 CA--C 1.519 0.322 0 CA-C-N 115.898 -0.592 . . . . 52.42 112.489 -177.172 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -97.23 -148.96 24.81 Favored Glycine 0 C--N 1.332 0.359 0 N-CA-C 111.176 -0.77 . . . . 74.12 111.176 174.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 55.1 m-85 -111.19 160.48 16.9 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-N 117.07 0.435 . . . . 72.25 109.921 176.343 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.454 ' HB2' ' HB2' ' A' ' 88' ' ' ASN . . . -152.86 145.22 24.02 Favored 'General case' 0 C--O 1.238 0.448 0 CA-C-O 120.703 0.287 . . . . 73.43 110.881 -177.315 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -103.5 138.46 40.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.619 -0.719 . . . . 75.45 110.105 178.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.627 ' HB3' HD11 ' B' ' 3' ' ' ILE . 35.5 t70 -133.82 110.61 9.88 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.364 -0.835 . . . . 62.1 109.114 -177.236 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.68 HG22 HG23 ' A' ' 83' ' ' VAL . 22.7 t -122.27 110.81 28.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 N-CA-C 112.216 0.451 . . . . 41.42 112.216 -171.698 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -79.22 103.09 8.91 Favored 'General case' 0 C--O 1.236 0.346 0 N-CA-C 109.01 -0.737 . . . . 51.52 109.01 170.617 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 21.3 tp -94.08 107.0 18.96 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.243 -0.651 . . . . 73.33 109.243 -179.806 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.587 ' HA ' ' O ' ' A' ' 137' ' ' VAL . 58.6 mtt180 -99.59 118.99 37.35 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.834 -0.621 . . . . 73.43 110.354 -174.357 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 48.5 t -107.72 105.31 18.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 N-CA-C 110.258 -0.275 . . . . 72.23 110.258 -177.785 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -106.5 101.63 11.08 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.941 0.4 . . . . 73.1 110.889 -178.669 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.725 HD23 HD22 ' A' ' 106' ' ' LEU . 37.4 tp -109.74 123.18 37.06 Favored Pre-proline 0 C--N 1.327 -0.371 0 N-CA-C 108.943 -0.762 . . . . 73.31 108.943 177.654 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 104' ' ' PRO . . . . . 0.559 ' HD2' HD12 ' A' ' 103' ' ' LEU . 57.3 Cg_endo -71.19 146.84 52.47 Favored 'Trans proline' 0 N--CA 1.461 -0.441 0 C-N-CA 122.266 1.978 . . . . 73.52 112.209 -177.3 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 69.03 14.91 68.88 Favored Glycine 0 CA--C 1.519 0.31 0 CA-C-N 115.304 -0.862 . . . . 54.45 112.73 -178.019 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.725 HD22 HD23 ' A' ' 103' ' ' LEU . 33.3 tp -114.15 141.68 47.2 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-O 121.172 0.51 . . . . 65.03 111.24 -178.346 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 33.9 m-20 -84.27 146.44 27.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.517 -0.765 . . . . 72.42 110.486 172.678 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.446 ' O ' ' HG3' ' A' ' 112' ' ' LYS . . . -63.47 -35.16 79.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.982 0.42 . . . . 74.35 110.491 178.385 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -56.89 -49.78 74.5 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.865 -0.607 . . . . 64.13 110.826 179.257 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 0.514 ' O ' HG22 ' A' ' 113' ' ' THR . . . -73.45 -35.09 65.7 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-O 121.168 0.508 . . . . 73.25 110.162 177.798 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -55.08 -36.21 65.38 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.684 -0.689 . . . . 54.13 110.682 178.549 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 112' ' ' LYS . . . . . 0.446 ' HG3' ' O ' ' A' ' 108' ' ' ALA . 98.7 mttt -53.71 -43.87 69.37 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 116.114 -0.494 . . . . 74.23 111.221 177.531 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 113' ' ' THR . . . . . 0.514 HG22 ' O ' ' A' ' 110' ' ' ALA . 1.2 t -80.11 -35.3 37.02 Favored 'General case' 0 CA--C 1.529 0.141 0 CA-C-O 120.643 0.259 . . . . 74.22 110.309 -177.435 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 44.1 mt -64.48 -45.45 87.28 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-O 120.852 0.358 . . . . 61.01 110.353 -179.64 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.524 HG21 HG12 ' A' ' 138' ' ' VAL . 92.3 t -68.01 -32.7 57.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.99 -0.55 . . . . 72.22 110.054 176.79 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 116' ' ' ASP . . . . . 0.439 ' HA ' ' CE1' ' A' ' 119' ' ' HIS . 13.4 t70 -58.55 -61.49 2.55 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.449 -0.341 . . . . 63.5 110.514 177.548 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 117' ' ' ARG . . . . . 0.446 ' HG2' ' O ' ' A' ' 113' ' ' THR . 15.5 ptm180 -61.18 -41.38 96.69 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-N 115.524 -0.762 . . . . 65.24 110.759 -178.594 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -59.54 -41.78 90.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.998 -0.546 . . . . 63.41 111.1 179.013 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 119' ' ' HIS . . . . . 0.558 ' HB2' ' HB2' ' A' ' 125' ' ' SER . 3.0 p-80 -89.54 13.47 13.85 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-O 121.069 0.461 . . . . 74.13 110.861 178.935 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 54.8 t-80 -108.55 -34.8 6.63 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 116.007 -0.542 . . . . 75.14 110.57 174.314 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.426 HG23 ' SG ' ' A' ' 122' ' ' CYS . 35.3 m -77.36 -32.99 19.23 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.24 0 CA-C-N 116.119 -0.491 . . . . 74.54 112.094 -176.168 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 122' ' ' CYS . . . . . 0.546 ' HB2' ' OG ' ' A' ' 125' ' ' SER . 33.3 m -91.82 131.12 36.38 Favored Pre-proline 0 CA--C 1.535 0.378 0 CA-C-O 120.516 0.198 . . . . 72.12 110.846 -176.12 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -59.86 -37.82 83.64 Favored 'Trans proline' 0 C--N 1.352 0.72 0 C-N-CA 122.412 2.075 . . . . 74.45 111.744 179.536 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 124' ' ' TYR . . . . . 0.416 ' HE1' ' CG ' ' B' ' 50' ' ' PHE . 92.3 m-85 -61.34 -34.19 74.86 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 115.937 -0.574 . . . . 65.44 110.727 179.596 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 125' ' ' SER . . . . . 0.558 ' HB2' ' HB2' ' A' ' 119' ' ' HIS . 29.4 p -89.0 -24.59 22.34 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.109 -0.496 . . . . 62.44 111.244 -176.01 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 126' ' ' ASN . . . . . 0.545 ' O ' ' HG2' ' A' ' 129' ' ' ARG . 80.4 m-20 -66.53 -31.63 72.48 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.734 0.778 . . . . 73.42 109.067 168.842 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 127' ' ' ALA . . . . . 0.488 ' O ' ' HB3' ' A' ' 131' ' ' ASN . . . -71.32 -17.33 62.45 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.03 -0.986 . . . . 54.1 110.979 174.507 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 128' ' ' THR . . . . . 0.604 ' OG1' HG21 ' A' ' 134' ' ' VAL . 0.5 OUTLIER -87.96 -5.88 58.31 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.643 0.735 . . . . 73.21 109.272 -170.088 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 129' ' ' ARG . . . . . 0.545 ' HG2' ' O ' ' A' ' 126' ' ' ASN . 13.5 ptm180 -119.72 -60.03 1.75 Allowed 'General case' 0 N--CA 1.444 -0.746 0 CA-C-N 115.13 -0.941 . . . . 72.04 110.288 -172.181 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 88.3 m-20 -79.28 -24.69 42.74 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.242 -0.436 . . . . 71.52 111.964 -176.324 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 131' ' ' ASN . . . . . 0.488 ' HB3' ' O ' ' A' ' 127' ' ' ALA . 0.2 OUTLIER -103.93 -42.08 5.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 72.12 110.934 -174.476 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 29.2 t -120.87 158.52 23.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.278 -0.419 . . . . 70.22 110.467 -169.665 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -93.52 97.54 10.59 Favored 'General case' 0 C--O 1.238 0.482 0 CA-C-O 121.692 0.758 . . . . 45.42 110.391 178.568 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 134' ' ' VAL . . . . . 0.623 HG22 ' HB ' ' A' ' 97' ' ' VAL . 84.9 t -125.62 116.38 46.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.307 -0.861 . . . . 75.02 110.543 -178.171 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 135' ' ' ARG . . . . . 0.416 HH11 ' HD3' ' A' ' 135' ' ' ARG . 6.6 tpt180 -76.76 105.0 7.57 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 115.726 -0.67 . . . . 72.41 109.697 178.395 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 43.5 mt -75.38 103.37 5.49 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.281 0.562 . . . . 50.04 110.51 177.765 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 137' ' ' VAL . . . . . 0.587 ' O ' ' HA ' ' A' ' 100' ' ' ARG . 0.2 OUTLIER -113.9 114.61 47.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 115.096 -0.956 . . . . 74.42 109.767 -178.995 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 138' ' ' VAL . . . . . 0.524 HG12 HG21 ' A' ' 115' ' ' VAL . 3.3 m -94.78 138.95 19.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 115.678 -0.692 . . . . 53.11 109.72 -177.378 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.315 -0.907 0 CA-C-N 115.805 -0.634 . . . . 73.13 110.755 -175.701 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 1' ' ' MET . . . . . 0.513 ' SD ' ' HB2' ' A' ' 96' ' ' ASP . 27.1 ptm . . . . . 0 C--O 1.234 0.28 0 CA-C-O 120.96 0.41 . . . . 72.42 110.714 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 19.0 t30 -99.38 85.47 3.18 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.612 -0.722 . . . . 61.35 109.732 -179.442 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 3' ' ' ILE . . . . . 0.627 HD11 ' HB3' ' A' ' 96' ' ' ASP . 31.6 mm -68.37 135.27 28.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 115.176 -0.92 . . . . 72.42 112.564 -177.769 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.478 ' HG ' ' HD3' ' A' ' 87' ' ' PRO . 92.1 mt -85.02 -45.06 12.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.599 -0.728 . . . . 75.25 110.128 174.546 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 5' ' ' TYR . . . . . . . . . . . . . 42.9 t80 -140.86 129.65 22.99 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 116.514 -0.312 . . . . 75.45 110.736 -178.073 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 6' ' ' LYS . . . . . 0.571 ' HB2' HG21 ' B' ' 3' ' ' ILE . 35.2 ttmt -137.28 136.87 38.42 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-O 120.971 0.415 . . . . 65.01 110.781 178.576 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 9.0 t -131.39 148.11 52.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.944 -0.571 . . . . 72.52 109.942 179.68 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 8' ' ' ALA . . . . . 0.442 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . . . -107.04 144.05 34.26 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-O 120.904 0.383 . . . . 64.22 111.107 -176.606 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 9' ' ' ALA . . . . . 0.478 ' HA ' ' HA ' ' B' ' 21' ' ' SER . . . -130.4 122.06 27.08 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.132 -0.485 . . . . 31.45 110.284 177.103 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 8.9 t -100.46 125.32 46.75 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.335 -0.393 . . . . 64.31 110.182 179.336 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 11' ' ' SER . . . . . 0.578 ' HA ' ' O ' ' B' ' 18' ' ' ARG . 13.5 p -124.36 119.51 29.45 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.823 0.344 . . . . 74.14 110.961 -179.877 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 12' ' ' THR . . . . . 0.551 ' HA ' HG22 ' A' ' 78' ' ' THR . 4.0 m -86.92 165.74 15.67 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.928 -0.578 . . . . 53.42 109.76 175.888 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -78.47 -1.92 83.27 Favored Glycine 0 N--CA 1.449 -0.493 0 CA-C-O 119.114 -0.826 . . . . 71.12 113.866 -178.579 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 28.81 -140.84 0.01 OUTLIER Glycine 0 C--N 1.348 1.216 0 O-C-N 124.074 0.514 . . . . 73.4 113.244 -174.474 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 94.7 mtt180 -67.65 -47.73 68.69 Favored 'General case' 0 C--O 1.234 0.24 0 N-CA-C 107.025 -1.472 . . . . 65.14 107.025 159.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 16' ' ' ASP . . . . . 0.565 ' HB3' ' HA ' ' B' ' 31' ' ' SER . 25.5 t0 -125.75 -43.1 1.88 Allowed 'General case' 0 C--O 1.235 0.307 0 CA-C-N 114.684 -1.144 . . . . 65.33 111.068 177.624 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 17' ' ' GLY . . . . . 0.43 ' O ' ' HG3' ' B' ' 29' ' ' LYS . . . -167.4 159.92 33.4 Favored Glycine 0 C--N 1.341 0.834 0 C-N-CA 119.606 -1.283 . . . . 74.22 112.578 170.136 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 18' ' ' ARG . . . . . 0.659 ' HA ' ' HA ' ' B' ' 29' ' ' LYS . 5.2 tmm_? -145.67 100.87 3.49 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 108.702 -0.851 . . . . 74.4 108.702 179.116 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 19' ' ' ALA . . . . . 0.434 ' HB2' ' HB2' ' A' ' 56' ' ' ALA . . . -102.43 124.06 47.32 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.88 0.372 . . . . 64.21 111.093 -171.699 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 91.6 m -134.56 116.17 14.73 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.936 -0.574 . . . . 75.11 110.091 178.6 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 21' ' ' SER . . . . . 0.607 ' HB2' ' OE1' ' A' ' 48' ' ' GLN . 30.0 t -76.61 112.72 13.47 Favored 'General case' 0 C--O 1.246 0.903 0 N-CA-C 107.965 -1.124 . . . . 74.21 107.965 175.115 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 22' ' ' HIS . . . . . 0.442 ' C ' ' H ' ' B' ' 24' ' ' GLN . 49.1 t-80 -55.5 -27.71 50.2 Favored 'General case' 0 C--N 1.344 0.339 0 O-C-N 126.484 2.365 . . . . 73.12 112.307 -169.405 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 41.3 t0 -80.61 18.44 0.95 Allowed 'General case' 0 CA--C 1.536 0.412 0 CA-C-O 121.67 0.748 . . . . 63.54 109.419 178.837 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 24' ' ' GLN . . . . . 0.442 ' H ' ' C ' ' B' ' 22' ' ' HIS . 31.0 mm-40 66.45 22.86 10.64 Favored 'General case' 0 CA--C 1.52 -0.179 0 CA-C-N 114.608 -1.178 . . . . 71.43 110.295 176.689 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -80.55 -26.08 38.22 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.482 -0.781 . . . . 41.25 109.889 176.794 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 26' ' ' LEU . . . . . 0.542 ' N ' ' HB3' ' B' ' 21' ' ' SER . 55.7 tp -152.35 150.1 29.35 Favored 'General case' 0 C--N 1.344 0.33 0 C-N-CA 119.85 -0.74 . . . . 71.52 111.512 -177.892 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -162.33 91.01 0.76 Allowed 'General case' 0 N--CA 1.467 0.377 0 O-C-N 123.602 0.564 . . . . 53.33 110.675 175.422 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 28' ' ' VAL . . . . . 0.463 HG22 HD11 ' B' ' 26' ' ' LEU . 3.7 m -150.8 178.16 0.6 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.681 0 CA-C-O 121.22 0.533 . . . . 74.12 111.647 178.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 29' ' ' LYS . . . . . 0.659 ' HA ' ' HA ' ' B' ' 18' ' ' ARG . 13.7 ttmt -128.34 145.61 51.02 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.381 -0.827 . . . . 64.31 109.801 177.316 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 30' ' ' LEU . . . . . 0.878 ' HA ' ' H ' ' B' ' 44' ' ' THR . 0.0 OUTLIER -128.79 157.86 40.29 Favored 'General case' 0 C--O 1.26 1.646 0 CA-C-O 121.567 0.699 . . . . 72.32 111.41 179.066 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 31' ' ' SER . . . . . 0.565 ' HA ' ' HB3' ' B' ' 16' ' ' ASP . 48.1 m -156.08 124.55 5.86 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 114.098 -1.41 . . . . 62.35 110.498 -178.713 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.22 128.92 82.73 Favored Pre-proline 0 C--O 1.239 0.503 0 CA-C-N 115.707 -0.679 . . . . 75.13 110.548 179.588 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -55.35 131.25 45.15 Favored 'Trans proline' 0 C--N 1.351 0.672 0 C-N-CA 122.782 2.321 . . . . 71.3 111.092 -179.122 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 34' ' ' ARG . . . . . 0.757 ' HB2' ' HA3' ' B' ' 40' ' ' GLY . 9.4 ttt180 -74.15 -3.13 27.83 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.601 -0.272 . . . . 71.43 111.102 -173.28 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -57.01 -31.04 64.71 Favored 'General case' 0 CA--C 1.532 0.25 0 CA-C-N 115.932 -0.576 . . . . 72.42 110.625 179.671 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.499 ' HG ' HD12 ' B' ' 85' ' ' ILE . 1.4 mm? -98.18 7.88 45.62 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 115.705 -0.68 . . . . 63.52 110.619 -177.196 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 79.47 59.31 2.71 Favored Glycine 0 N--CA 1.452 -0.24 0 N-CA-C 110.901 -0.88 . . . . 51.22 110.901 -172.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 38' ' ' GLY . . . . . 0.481 ' H ' ' HA ' ' B' ' 34' ' ' ARG . . . -122.72 -129.41 3.53 Favored Glycine 0 C--N 1.331 0.28 0 C-N-CA 121.581 -0.342 . . . . 64.12 112.436 -174.67 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -94.47 -50.38 5.24 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.982 0.42 . . . . 71.25 110.123 -174.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 40' ' ' GLY . . . . . 0.757 ' HA3' ' HB2' ' B' ' 34' ' ' ARG . . . 62.34 85.02 0.05 OUTLIER Glycine 0 N--CA 1.447 -0.62 0 CA-C-N 115.526 -0.761 . . . . 53.13 112.39 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 41' ' ' ALA . . . . . 0.452 ' HB3' ' CB ' ' B' ' 31' ' ' SER . . . -144.62 -171.97 3.72 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.887 0.375 . . . . 45.11 111.216 -176.88 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -81.93 9.22 8.62 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-N 115.62 -0.718 . . . . 74.14 111.43 -179.384 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -83.78 -175.4 50.87 Favored Glycine 0 C--N 1.335 0.476 0 C-N-CA 121.349 -0.453 . . . . 72.12 112.493 179.27 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 44' ' ' THR . . . . . 0.878 ' H ' ' HA ' ' B' ' 30' ' ' LEU . 18.1 p -102.02 173.9 6.18 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 122.499 0.319 . . . . 35.03 111.626 -177.511 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 -86.59 122.18 71.88 Favored Pre-proline 0 CA--C 1.538 0.508 0 CA-C-N 116.062 -0.517 . . . . 71.14 110.761 -179.826 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 46' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -56.21 -54.13 4.4 Favored 'Trans proline' 0 CA--C 1.54 0.785 0 C-N-CA 123.036 2.491 . . . . 54.41 113.315 178.368 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.68 -37.79 87.83 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-O 120.811 0.338 . . . . 73.03 110.308 -179.728 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 26.8 tt0 -58.15 -42.8 86.68 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.859 -0.61 . . . . 65.22 110.282 174.599 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 49' ' ' LEU . . . . . 0.62 HD12 ' HA3' ' A' ' 53' ' ' GLY . 3.3 tm? -60.62 -49.19 78.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.362 -0.835 . . . . 73.15 109.676 179.257 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 50' ' ' PHE . . . . . 0.416 ' CG ' ' HE1' ' A' ' 124' ' ' TYR . 66.3 t80 -58.24 -45.13 88.32 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-N 116.418 -0.355 . . . . 74.53 110.671 176.563 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 51' ' ' ALA . . . . . 0.449 ' HB2' ' CG1' ' B' ' 83' ' ' VAL . . . -54.66 -52.96 60.72 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.212 -0.449 . . . . 63.22 111.342 178.294 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -57.8 -46.97 83.89 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.951 -0.568 . . . . 74.31 111.167 179.566 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 53' ' ' GLY . . . . . 0.58 ' HA3' HD12 ' A' ' 49' ' ' LEU . . . -65.09 -38.35 95.24 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.98 -0.629 . . . . 73.22 112.212 179.69 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 54' ' ' TYR . . . . . 0.756 ' HA ' ' SG ' ' B' ' 57' ' ' CYS . 2.5 t80 -71.33 -41.49 69.75 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 122.418 0.287 . . . . 73.14 110.519 -177.768 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 55' ' ' SER . . . . . 0.461 ' HB3' ' HB2' ' B' ' 81' ' ' ALA . 21.1 p -65.08 -43.36 92.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.05 0.452 . . . . 71.55 110.124 177.785 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.05 -49.24 76.78 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.771 -0.649 . . . . 72.32 110.801 177.019 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 57' ' ' CYS . . . . . 0.756 ' SG ' ' HA ' ' B' ' 54' ' ' TYR . 21.9 p -65.81 -36.03 82.34 Favored 'General case' 0 C--O 1.225 -0.206 0 CA-C-N 116.282 -0.417 . . . . 72.4 110.5 -178.59 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 32.5 t80 -63.16 -41.1 99.19 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-O 121.197 0.522 . . . . 52.32 109.613 -179.499 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 6.5 tt -64.65 -45.83 85.1 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 115.635 -0.711 . . . . 64.41 109.252 176.65 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 60' ' ' SER . . . . . 0.528 ' HA ' ' HG2' ' B' ' 63' ' ' LYS . 21.3 t -61.09 -34.78 75.47 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-O 121.475 0.655 . . . . 73.23 110.048 177.14 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.03 -42.92 88.99 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.88 -0.6 . . . . 44.1 110.057 178.398 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 62' ' ' MET . . . . . . . . . . . . . 62.7 mmm -63.62 -42.65 98.18 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.373 -0.376 . . . . 71.0 111.688 179.08 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 63' ' ' LYS . . . . . 0.528 ' HG2' ' HA ' ' B' ' 60' ' ' SER . 21.3 ptmt -67.75 -37.55 82.28 Favored 'General case' 0 N--CA 1.465 0.29 0 C-N-CA 120.643 -0.423 . . . . 72.03 110.303 179.514 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 67.5 t80 -66.89 -46.02 76.23 Favored 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 110.056 -0.349 . . . . 73.11 110.056 177.268 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 25.4 t -55.46 -46.82 78.87 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.102 0 CA-C-N 116.106 -0.497 . . . . 75.05 110.123 175.585 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -57.54 -33.55 68.23 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.809 -0.632 . . . . 74.13 110.424 177.561 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -67.31 -32.0 78.55 Favored Glycine 0 N--CA 1.452 -0.262 0 CA-C-N 115.434 -0.803 . . . . 75.04 112.323 -178.299 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 68' ' ' GLN . . . . . 0.405 ' HG3' HD22 ' B' ' 69' ' ' ASN . 13.5 pt20 -97.4 -14.86 20.96 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 121.362 0.601 . . . . 64.5 109.522 -179.46 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 69' ' ' ASN . . . . . 0.405 HD22 ' HG3' ' B' ' 68' ' ' GLN . 1.1 m-80 -89.72 -3.47 58.18 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.278 -0.874 . . . . 65.21 110.145 175.521 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 62.01 35.37 16.09 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 115.662 -0.699 . . . . 73.12 110.991 176.54 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -128.9 166.25 19.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.19 -0.913 . . . . 74.24 109.815 177.209 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 64.0 p -123.31 144.05 49.68 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.014 0.435 . . . . 74.12 110.588 178.107 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 96.6 mt -109.56 144.44 29.86 Favored Pre-proline 0 C--N 1.324 -0.537 0 CA-C-N 115.66 -0.7 . . . . 75.15 110.358 178.122 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 74' ' ' PRO . . . . . 0.42 ' O ' HG22 ' B' ' 77' ' ' THR . 12.4 Cg_endo -57.06 138.23 85.39 Favored 'Trans proline' 0 C--N 1.348 0.551 0 C-N-CA 122.951 2.434 . . . . 62.01 112.525 178.166 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -71.82 -20.25 61.87 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 121.485 0.66 . . . . 71.53 111.458 -179.284 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -87.69 18.25 4.15 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.246 -0.888 . . . . 60.22 111.603 -171.295 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 77' ' ' THR . . . . . 0.597 ' HB ' HD13 ' B' ' 103' ' ' LEU . 3.5 t -84.67 167.47 16.16 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.017 0.436 . . . . 73.25 111.922 -177.585 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 78' ' ' THR . . . . . 0.425 ' HA ' ' O ' ' A' ' 11' ' ' SER . 1.1 p -151.7 149.29 28.92 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 115.533 -0.758 . . . . 71.23 110.439 177.793 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 73.7 t -131.98 118.22 36.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 N-CA-C 109.489 -0.56 . . . . 54.24 109.489 175.242 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 19.0 m -105.68 113.2 26.62 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-O 120.837 0.351 . . . . 72.42 110.89 -177.472 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 81' ' ' ALA . . . . . 0.461 ' HB2' ' HB3' ' B' ' 55' ' ' SER . . . -93.18 110.74 22.25 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.323 -0.621 . . . . 73.43 109.323 176.082 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 82' ' ' GLU . . . . . 0.525 ' HA ' ' HA ' ' A' ' 8' ' ' ALA . 28.6 tt0 -108.13 109.07 20.39 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.77 -0.455 . . . . 71.23 109.77 -178.758 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 83' ' ' VAL . . . . . 0.449 ' CG1' ' HB2' ' B' ' 51' ' ' ALA . 18.3 m -101.79 145.9 10.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.025 -0.534 . . . . 71.44 110.813 -177.079 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 84' ' ' GLY . . . . . 0.404 ' HA2' ' HA ' ' A' ' 6' ' ' LYS . . . -139.16 155.44 23.93 Favored Glycine 0 N--CA 1.442 -0.961 0 N-CA-C 111.252 -0.739 . . . . 52.45 111.252 178.037 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 85' ' ' ILE . . . . . 0.556 HD11 ' CD2' ' B' ' 93' ' ' PHE . 0.0 OUTLIER -132.86 130.72 59.03 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 N-CA-C 109.133 -0.692 . . . . 73.1 109.133 -178.674 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -134.81 169.85 23.04 Favored Glycine 0 N--CA 1.452 -0.249 0 CA-C-N 115.25 -0.886 . . . . 52.3 111.009 179.063 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 87' ' ' PRO . . . . . 0.678 ' HD3' ' HG ' ' A' ' 4' ' ' LEU . 79.4 Cg_endo -89.97 139.18 3.09 Favored 'Trans proline' 0 N--CA 1.452 -0.929 0 C-N-CA 122.577 2.185 . . . . 61.3 112.756 -175.282 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 88' ' ' ASN . . . . . . . . . . . . . 55.0 t-20 -102.42 133.22 47.71 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 108.445 -0.946 . . . . 72.3 108.445 174.728 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -58.67 -21.37 54.21 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.148 0.499 . . . . 65.22 110.879 -178.909 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -67.21 -20.03 65.64 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.554 -0.748 . . . . 74.05 110.789 179.634 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.67 35.33 3.3 Favored Glycine 0 N--CA 1.454 -0.107 0 CA-C-N 115.77 -0.65 . . . . 72.2 112.678 178.246 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . -143.63 175.78 23.4 Favored Glycine 0 N--CA 1.446 -0.678 0 N-CA-C 111.236 -0.746 . . . . 70.13 111.236 177.299 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 93' ' ' PHE . . . . . 0.556 ' CD2' HD11 ' B' ' 85' ' ' ILE . 34.7 m-85 -98.19 138.62 35.19 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.666 -0.494 . . . . 73.12 109.666 178.851 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 94' ' ' ALA . . . . . 0.414 ' HB3' ' HE1' ' A' ' 1' ' ' MET . . . -118.49 136.93 53.53 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.869 -0.605 . . . . 62.21 109.501 -176.16 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -103.48 144.18 31.75 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.371 0.605 . . . . 74.21 111.572 -174.131 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 96' ' ' ASP . . . . . 0.51 ' CB ' HD11 ' A' ' 3' ' ' ILE . 30.5 t70 -136.48 110.36 8.19 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 114.667 -1.151 . . . . 73.53 108.642 179.816 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 97' ' ' VAL . . . . . 0.516 HG13 HG22 ' B' ' 134' ' ' VAL . 2.4 p -125.05 123.67 65.97 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.007 0 CA-C-O 121.305 0.574 . . . . 65.34 111.175 -174.19 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 98' ' ' GLU . . . . . 0.419 ' CG ' ' HB3' ' B' ' 82' ' ' GLU . 9.2 pt-20 -108.64 124.78 51.04 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.715 -0.675 . . . . 74.42 109.919 178.318 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 99' ' ' LEU . . . . . 0.409 HD11 ' CE2' ' B' ' 54' ' ' TYR . 94.0 mt -94.98 107.58 19.62 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.626 -0.715 . . . . 61.12 109.493 178.591 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 100' ' ' ARG . . . . . 0.575 ' HA ' ' O ' ' B' ' 137' ' ' VAL . 80.0 ttt180 -99.53 111.51 23.85 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.072 -0.513 . . . . 64.11 110.036 -176.599 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 101' ' ' VAL . . . . . 0.439 HG21 HG22 ' B' ' 115' ' ' VAL . 96.7 t -103.62 109.44 27.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.045 -0.525 . . . . 60.12 110.902 -173.018 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 102' ' ' ALA . . . . . 0.587 ' HA ' ' HB3' ' B' ' 139' ' ' ALA . . . -107.32 101.14 10.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.037 0.446 . . . . 53.32 110.468 178.482 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 103' ' ' LEU . . . . . 0.597 HD13 ' HB ' ' B' ' 77' ' ' THR . 2.3 mm? -113.6 120.23 39.92 Favored Pre-proline 0 C--N 1.326 -0.452 0 CA-C-N 115.705 -0.679 . . . . 72.24 109.307 177.323 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 104' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -71.47 147.42 52.12 Favored 'Trans proline' 0 N--CA 1.457 -0.627 0 C-N-CA 122.093 1.862 . . . . 74.24 111.817 179.272 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 105' ' ' GLY . . . . . . . . . . . . . . . 67.59 15.22 66.0 Favored Glycine 0 CA--C 1.522 0.521 0 CA-C-N 115.44 -0.8 . . . . 72.34 113.243 -178.459 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 106' ' ' LEU . . . . . 0.451 HD23 ' HB2' ' B' ' 103' ' ' LEU . 28.7 tp -118.71 137.52 53.27 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-O 121.041 0.448 . . . . 60.53 111.037 -178.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -79.05 140.56 37.88 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.475 -0.784 . . . . 63.12 110.682 176.319 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 108' ' ' ALA . . . . . 0.437 ' O ' ' HG3' ' B' ' 112' ' ' LYS . . . -57.49 -37.44 72.95 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.476 -0.329 . . . . 34.32 111.144 178.37 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -57.54 -51.66 68.56 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.099 -0.501 . . . . 64.51 111.001 -179.71 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -69.22 -37.61 78.13 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.16 -0.473 . . . . 72.03 110.32 177.735 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 111' ' ' ALA . . . . . 0.491 ' O ' HG23 ' B' ' 115' ' ' VAL . . . -56.54 -38.95 72.59 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.477 -0.783 . . . . 64.14 110.945 -178.89 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 112' ' ' LYS . . . . . 0.453 ' HA ' HG11 ' B' ' 138' ' ' VAL . 57.0 mtpt -57.01 -43.35 81.71 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.382 0.61 . . . . 74.45 110.216 178.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 113' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -73.83 -35.15 64.8 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.259 -0.882 . . . . 72.03 110.791 -178.055 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 114' ' ' LEU . . . . . 0.424 HD12 HD21 ' B' ' 106' ' ' LEU . 82.7 mt -65.77 -45.71 81.47 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-O 120.932 0.396 . . . . 70.23 109.964 179.358 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 115' ' ' VAL . . . . . 0.513 HG21 HG12 ' B' ' 138' ' ' VAL . 62.1 t -67.06 -36.79 77.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.997 -0.547 . . . . 63.55 110.037 177.677 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -55.76 -57.69 10.95 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.032 -0.531 . . . . 75.43 110.412 178.255 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 117' ' ' ARG . . . . . . . . . . . . . 10.3 ptm180 -66.99 -39.07 87.05 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.929 -0.578 . . . . 70.2 110.827 -177.067 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 118' ' ' ALA . . . . . 0.436 ' O ' HG22 ' B' ' 121' ' ' VAL . . . -62.81 -31.81 72.88 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.159 0.504 . . . . 61.11 110.766 178.312 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 119' ' ' HIS . . . . . 0.453 ' NE2' HG23 ' B' ' 128' ' ' THR . 44.7 t60 -77.84 5.63 9.19 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 116.015 -0.539 . . . . 74.31 110.652 -179.874 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 62.8 m80 -102.58 -31.73 10.26 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 116.08 -0.509 . . . . 61.52 110.576 174.342 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 121' ' ' VAL . . . . . 0.436 HG22 ' O ' ' B' ' 118' ' ' ALA . 24.7 m -83.1 -10.7 11.94 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.288 0 CA-C-N 116.486 -0.325 . . . . 63.42 111.267 -176.25 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 122' ' ' CYS . . . . . 0.635 ' SG ' HG21 ' B' ' 128' ' ' THR . 18.3 p -65.42 118.68 52.89 Favored Pre-proline 0 CA--C 1.533 0.321 0 N-CA-C 109.875 -0.417 . . . . 74.53 109.875 176.556 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 123' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -53.6 -33.2 67.69 Favored 'Trans proline' 0 C--N 1.353 0.776 0 C-N-CA 123.116 2.544 . . . . 65.25 113.212 -174.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 124' ' ' TYR . . . . . 0.421 ' N ' ' CD2' ' B' ' 124' ' ' TYR . 4.3 m-30 . . . . . 0 CA--C 1.536 0.432 0 CA-C-O 121.663 0.745 . . . . 65.35 109.089 -178.494 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 128' ' ' THR . . . . . 0.635 HG21 ' SG ' ' B' ' 122' ' ' CYS . 1.7 t . . . . . 0 C--O 1.234 0.251 0 CA-C-O 121.288 0.566 . . . . 55.14 109.503 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 129' ' ' ARG . . . . . . . . . . . . . 14.7 ptm180 -150.16 -60.11 0.2 Allowed 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 115.862 -0.608 . . . . 75.21 112.367 178.38 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 130' ' ' ASN . . . . . . . . . . . . . 88.5 m-20 -78.88 -32.76 46.0 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 112.044 0.387 . . . . 74.14 112.044 -169.83 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 131' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -90.98 -36.8 13.87 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.458 -0.337 . . . . 75.43 110.469 -179.106 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 132' ' ' VAL . . . . . . . . . . . . . 55.1 t -121.02 131.71 72.32 Favored 'Isoleucine or valine' 0 C--O 1.233 0.21 0 N-CA-C 110.087 -0.338 . . . . 52.13 110.087 -174.022 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 133' ' ' ALA . . . . . . . . . . . . . . . -70.9 103.38 2.62 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 116.093 -0.503 . . . . 72.23 110.629 -178.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 134' ' ' VAL . . . . . 0.516 HG22 HG13 ' B' ' 97' ' ' VAL . 31.4 t -114.3 123.83 70.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.756 -0.656 . . . . 61.1 110.729 -179.522 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 12.2 tpt180 -98.84 124.75 43.95 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.638 -0.504 . . . . 74.32 109.638 175.669 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 71.4 mt -90.67 112.91 24.84 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.227 0.537 . . . . 72.41 110.64 178.123 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 137' ' ' VAL . . . . . 0.575 ' O ' ' HA ' ' B' ' 100' ' ' ARG . 0.3 OUTLIER -119.77 113.83 42.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.17 -0.923 . . . . 72.22 110.075 -178.991 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 138' ' ' VAL . . . . . 0.513 HG12 HG21 ' B' ' 115' ' ' VAL . 4.0 m -103.15 138.67 26.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.623 -0.717 . . . . 70.52 110.151 -177.93 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 139' ' ' ALA . . . . . 0.587 ' HB3' ' HA ' ' B' ' 102' ' ' ALA . . . . . . . . 0 C--O 1.251 1.134 0 CA-C-O 118.589 -0.72 . . . . 71.35 110.966 -175.892 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.445 ' SD ' ' HB2' ' B' ' 96' ' ' ASP . 28.7 ptm . . . . . 0 N--CA 1.483 1.187 0 CA-C-O 120.804 0.335 . . . . 71.43 110.408 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 2' ' ' ASN . . . . . 0.483 ' O ' ' HD2' ' B' ' 87' ' ' PRO . 38.7 t30 -101.91 84.74 2.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.11 -0.495 . . . . 75.52 109.713 178.572 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.53 HG21 ' HB2' ' A' ' 6' ' ' LYS . 26.3 mm -69.01 127.27 30.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.801 -0.636 . . . . 51.02 111.24 178.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.579 ' HG ' ' HD3' ' B' ' 87' ' ' PRO . 85.8 mt -86.17 -41.67 14.49 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.628 -0.715 . . . . 74.21 110.068 175.677 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 41.1 t80 -139.4 131.08 27.34 Favored 'General case' 0 C--O 1.221 -0.442 0 CA-C-N 116.168 -0.469 . . . . 54.43 110.447 -178.888 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.53 ' HB2' HG21 ' A' ' 3' ' ' ILE . 31.4 ttmt -140.8 137.1 33.08 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.845 0.355 . . . . 62.42 110.676 176.071 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 15.0 t -141.6 143.49 33.71 Favored 'General case' 0 C--O 1.24 0.584 0 CA-C-N 115.868 -0.605 . . . . 73.02 110.383 179.363 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.538 ' HA ' ' HA ' ' B' ' 82' ' ' GLU . . . -110.19 140.51 44.23 Favored 'General case' 0 N--CA 1.466 0.356 0 N-CA-C 112.401 0.519 . . . . 64.34 112.401 -173.116 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.449 ' HA ' ' H ' ' A' ' 22' ' ' HIS . . . -122.1 125.43 46.18 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.624 -0.716 . . . . 65.14 110.458 178.33 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 69.2 m -98.13 123.39 42.16 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.258 -0.428 . . . . 73.43 110.467 178.591 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 10.7 p -121.33 130.91 53.89 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.129 0.49 . . . . 71.32 110.674 177.297 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.5 m -113.41 154.96 26.1 Favored 'General case' 0 C--O 1.242 0.674 0 CA-C-N 116.3 -0.409 . . . . 72.12 110.65 -179.773 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -85.77 74.6 2.4 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 121.149 -0.548 . . . . 62.44 111.779 177.719 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -63.23 -107.72 0.01 OUTLIER Glycine 0 C--N 1.334 0.46 0 C-N-CA 121.482 -0.39 . . . . 62.02 112.42 178.143 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 47.5 mtt180 -85.87 -55.66 3.85 Favored 'General case' 0 C--N 1.329 -0.284 0 O-C-N 122.238 -0.566 . . . . 73.04 109.678 172.83 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.578 ' HB3' ' HA ' ' A' ' 31' ' ' SER . 20.1 t70 -125.85 -42.76 1.88 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.118 -0.492 . . . . 74.22 110.289 175.801 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -164.49 143.99 9.01 Favored Glycine 0 C--N 1.345 1.03 0 C-N-CA 119.589 -1.291 . . . . 73.12 112.598 165.755 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 3.0 tmt_? -129.55 111.1 12.4 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.013 -0.736 . . . . 73.24 109.013 175.714 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.645 ' HB1' ' HB1' ' B' ' 52' ' ' ALA . . . -113.58 124.17 51.71 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.731 0.3 . . . . 71.12 111.118 -174.049 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.416 HG23 ' O ' ' A' ' 26' ' ' LEU . 63.4 m -134.55 117.72 16.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 63.53 110.967 -177.684 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.582 ' HB3' ' N ' ' A' ' 26' ' ' LEU . 25.4 t -68.51 106.96 2.74 Favored 'General case' 0 C--O 1.244 0.79 0 N-CA-C 106.509 -1.663 . . . . 62.3 106.509 172.247 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.449 ' H ' ' HA ' ' A' ' 9' ' ' ALA . 48.6 t60 -68.11 -11.8 59.74 Favored 'General case' 0 CA--C 1.519 -0.23 0 O-C-N 125.197 1.561 . . . . 71.44 111.159 -165.272 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.521 ' HB3' ' HE2' ' A' ' 25' ' ' LYS . 23.5 t70 -80.23 14.13 2.06 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.025 -0.731 . . . . 73.43 109.025 174.133 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.41 ' H ' ' C ' ' A' ' 22' ' ' HIS . 28.6 mm-40 69.92 25.31 4.95 Favored 'General case' 0 C--N 1.341 0.222 0 CA-C-N 114.853 -1.067 . . . . 72.53 110.787 175.716 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.521 ' HE2' ' HB3' ' A' ' 23' ' ' ASP . 53.9 mtmt -98.5 -19.25 17.75 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.697 -0.683 . . . . 73.44 111.917 -179.421 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.582 ' N ' ' HB3' ' A' ' 21' ' ' SER . 48.5 tp -151.22 145.59 25.49 Favored 'General case' 0 C--O 1.22 -0.468 0 C-N-CA 120.055 -0.658 . . . . 74.42 110.898 178.023 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -156.21 97.39 1.77 Allowed 'General case' 0 C--O 1.234 0.263 0 O-C-N 123.516 0.51 . . . . 74.13 109.917 175.878 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 3.7 m -144.33 178.11 1.8 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.375 0 CA-C-O 121.566 0.698 . . . . 62.12 112.057 179.581 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 20.1 ttmt -141.67 140.28 33.18 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 114.834 -1.076 . . . . 62.42 109.686 -178.762 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.788 ' HA ' ' H ' ' A' ' 44' ' ' THR . 0.0 OUTLIER -126.09 162.86 24.36 Favored 'General case' 0 C--O 1.257 1.494 0 CA-C-N 116.251 -0.431 . . . . 64.12 110.751 179.546 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.578 ' HA ' ' HB3' ' A' ' 16' ' ' ASP . 52.5 m -157.77 134.17 9.64 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 115.126 -0.943 . . . . 75.34 110.998 -176.488 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.91 125.72 87.23 Favored Pre-proline 0 C--O 1.239 0.526 0 CA-C-N 115.761 -0.654 . . . . 52.21 110.497 175.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.611 ' HG2' HD23 ' A' ' 36' ' ' LEU . 18.7 Cg_endo -59.43 143.27 99.75 Favored 'Trans proline' 0 C--N 1.35 0.617 0 C-N-CA 122.811 2.341 . . . . 73.33 111.761 -179.344 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.471 ' HG2' ' HA3' ' A' ' 40' ' ' GLY . 0.7 OUTLIER -74.92 -9.45 58.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.319 -0.401 . . . . 50.12 110.661 -176.876 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -60.52 -27.55 67.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.06 -0.518 . . . . 75.14 110.519 178.124 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.611 HD23 ' HG2' ' A' ' 33' ' ' PRO . 2.4 mm? -104.92 13.02 31.78 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 116.08 -0.509 . . . . 63.44 110.437 178.759 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 75.08 31.95 57.0 Favored Glycine 0 C--N 1.332 0.345 0 C-N-CA 121.09 -0.576 . . . . 72.22 111.719 -175.488 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -82.09 -130.5 1.32 Allowed Glycine 0 C--N 1.334 0.42 0 C-N-CA 121.486 -0.388 . . . . 73.44 112.878 -178.287 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -95.87 -39.87 9.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.099 0.476 . . . . 63.22 110.344 -174.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.471 ' HA3' ' HG2' ' A' ' 34' ' ' ARG . . . 70.72 90.24 0.09 OUTLIER Glycine 0 N--CA 1.447 -0.624 0 CA-C-N 115.564 -0.744 . . . . 45.53 112.465 -177.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -163.15 153.17 15.76 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.776 -0.454 . . . . 44.21 109.776 -178.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -73.73 76.04 1.56 Allowed 'General case' 0 CA--C 1.533 0.3 0 CA-C-O 121.75 0.786 . . . . 71.23 110.484 179.526 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -132.31 -152.92 7.19 Favored Glycine 0 N--CA 1.453 -0.208 0 CA-C-N 115.134 -0.939 . . . . 55.55 111.764 179.467 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.788 ' H ' ' HA ' ' A' ' 30' ' ' LEU . 83.3 m -117.24 156.83 27.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.627 0.214 . . . . 74.01 110.533 -177.906 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 46.2 m-80 -84.22 119.5 73.3 Favored Pre-proline 0 C--O 1.235 0.309 0 N-CA-C 109.739 -0.467 . . . . 72.33 109.739 173.929 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -53.58 -44.24 50.75 Favored 'Trans proline' 0 C--N 1.349 0.596 0 C-N-CA 122.82 2.346 . . . . 63.04 112.361 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -65.48 -34.44 78.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.839 -0.619 . . . . 62.13 110.277 -177.891 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.429 ' HA ' HG11 ' A' ' 83' ' ' VAL . 1.0 OUTLIER -67.49 -35.81 79.86 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.828 -0.624 . . . . 72.35 109.358 175.423 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.543 HD12 ' HA3' ' B' ' 53' ' ' GLY . 3.3 tm? -63.16 -46.55 86.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.42 -0.809 . . . . 71.11 109.722 179.724 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 74.3 t80 -63.51 -46.13 87.5 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 116.57 -0.286 . . . . 64.45 110.884 176.45 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.517 ' HB1' ' HB1' ' A' ' 81' ' ' ALA . . . -55.13 -53.21 58.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.349 -0.387 . . . . 52.03 111.103 -179.861 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.98 -35.87 81.77 Favored 'General case' 0 C--O 1.237 0.435 0 CA-C-N 116.004 -0.544 . . . . 51.43 110.643 -179.011 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -66.66 -40.46 94.0 Favored Glycine 0 N--CA 1.447 -0.586 0 CA-C-N 115.602 -0.726 . . . . 45.35 112.115 178.312 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -70.77 -40.96 72.31 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 110.072 -0.344 . . . . 71.4 110.072 -178.833 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 17.9 p -64.41 -47.62 78.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.924 0.392 . . . . 50.31 110.326 178.91 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.475 ' HB2' ' HB2' ' B' ' 19' ' ' ALA . . . -65.57 -39.48 91.71 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 116.118 -0.492 . . . . 72.41 110.846 178.378 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 54.0 t -66.89 -36.37 82.14 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.768 -0.651 . . . . 74.4 110.637 178.56 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 37.6 t80 -71.76 -33.87 69.0 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-O 121.024 0.44 . . . . 64.12 110.027 -178.213 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.42 HD21 HG23 ' A' ' 77' ' ' THR . 1.5 tm? -63.55 -51.81 63.78 Favored 'General case' 0 C--O 1.234 0.28 0 N-CA-C 109.127 -0.694 . . . . 74.12 109.127 177.4 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.431 ' HA ' ' HE3' ' A' ' 63' ' ' LYS . 7.8 p -65.5 -36.06 82.73 Favored 'General case' 0 C--O 1.237 0.424 0 CA-C-N 115.794 -0.639 . . . . 74.4 110.75 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -62.99 -51.51 66.56 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 115.998 -0.547 . . . . 64.15 110.699 177.341 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 52.9 mmm -59.17 -33.02 70.43 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 120.794 0.331 . . . . 61.32 110.823 177.631 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.556 ' HE2' ' HA ' ' B' ' 16' ' ' ASP . 22.1 ttpp -64.17 -43.4 95.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 62.32 110.18 175.397 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 90.8 t80 -63.84 -43.59 95.7 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-O 121.056 0.455 . . . . 70.35 109.978 176.147 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 53.9 t -56.82 -45.37 83.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.894 -0.594 . . . . 51.41 110.145 175.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.421 ' HA ' ' HG3' ' A' ' 71' ' ' GLN . . . -61.9 -29.05 69.95 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.774 -0.648 . . . . 55.45 109.875 177.543 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -72.55 -31.74 62.68 Favored Glycine 0 N--CA 1.452 -0.267 0 CA-C-N 115.326 -0.852 . . . . 65.01 112.268 -178.145 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -92.52 -19.56 21.84 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 121.59 0.709 . . . . 73.33 109.156 -179.062 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 17.7 m-80 -93.07 -1.79 56.18 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.054 -0.975 . . . . 73.35 110.449 175.395 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 21.4 mmtm 63.34 20.73 12.43 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 114.919 -1.037 . . . . 70.5 111.22 173.041 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.421 ' HG3' ' HA ' ' A' ' 66' ' ' ALA . 3.0 pt20 -107.25 169.01 8.83 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.67 -0.695 . . . . 65.11 110.013 -179.39 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 20.6 p -127.56 132.13 49.91 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.047 0.451 . . . . 71.13 110.594 178.92 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -109.33 139.26 20.89 Favored Pre-proline 0 C--N 1.324 -0.541 0 CA-C-N 115.787 -0.642 . . . . 63.13 109.469 175.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.532 ' O ' HG22 ' A' ' 77' ' ' THR . 52.1 Cg_exo -55.39 118.94 5.75 Favored 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 122.425 2.084 . . . . 75.32 112.213 -178.567 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -71.18 -0.16 9.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.419 0.628 . . . . 74.43 111.212 179.554 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -89.82 10.33 24.03 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.376 -0.829 . . . . 72.44 110.401 178.142 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.572 ' HB ' HD22 ' A' ' 103' ' ' LEU . 7.7 t -84.23 152.84 23.97 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 116.016 -0.538 . . . . 73.42 110.773 178.62 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.4 p -128.14 149.21 50.52 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-O 121.135 0.493 . . . . 65.01 110.908 174.91 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 72.6 t -124.64 110.5 25.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 115.365 -0.834 . . . . 73.54 108.83 173.795 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.554 ' HB ' ' HB2' ' A' ' 100' ' ' ARG . 6.9 m -98.06 113.82 25.8 Favored 'General case' 0 C--N 1.314 -0.967 0 CA-C-N 115.164 -0.925 . . . . 61.0 110.708 -173.083 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.517 ' HB1' ' HB1' ' A' ' 51' ' ' ALA . . . -100.21 105.32 16.89 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.172 -0.467 . . . . 75.0 109.932 -179.306 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.619 ' HG2' ' HD3' ' B' ' 6' ' ' LYS . 29.3 tt0 -107.74 107.58 18.42 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.044 -0.725 . . . . 74.0 109.044 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.429 HG11 ' HA ' ' A' ' 48' ' ' GLN . 7.3 p -111.95 137.2 45.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.11 -0.496 . . . . 74.25 111.391 -170.313 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.48 ' HA2' ' HA ' ' B' ' 6' ' ' LYS . . . -137.07 175.73 20.94 Favored Glycine 0 N--CA 1.446 -0.68 0 CA-C-N 116.034 -0.53 . . . . 64.22 112.421 179.164 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -143.77 136.14 23.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 N-CA-C 109.392 -0.595 . . . . 71.32 109.392 -179.709 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -149.07 169.95 29.45 Favored Glycine 0 CA--C 1.519 0.328 0 N-CA-C 111.137 -0.785 . . . . 64.2 111.137 177.481 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.605 ' HD3' ' HG ' ' B' ' 4' ' ' LEU . 71.6 Cg_endo -75.53 140.44 24.06 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.418 2.079 . . . . 75.13 112.013 -178.651 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' ASN . . . . . 0.493 ' HB2' ' HB2' ' A' ' 94' ' ' ALA . 51.2 t-20 -96.02 137.74 34.66 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.365 -0.605 . . . . 63.43 109.365 179.585 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -65.02 -10.97 33.95 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 121.003 0.43 . . . . 74.31 111.216 -179.047 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -67.4 -19.16 65.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.861 -0.608 . . . . 62.35 110.417 173.766 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.52 35.28 3.35 Favored Glycine 0 N--CA 1.453 -0.173 0 CA-C-N 115.748 -0.66 . . . . 52.42 112.471 -179.654 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -153.89 -141.58 3.28 Favored Glycine 0 N--CA 1.453 -0.233 0 N-CA-C 111.845 -0.502 . . . . 74.12 111.845 178.802 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 61.7 m-85 -107.94 166.96 10.32 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.829 0.347 . . . . 72.25 110.403 178.873 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.493 ' HB2' ' HB2' ' A' ' 88' ' ' ASN . . . -149.06 121.36 8.41 Favored 'General case' 0 C--O 1.238 0.49 0 N-CA-C 109.517 -0.549 . . . . 73.43 109.517 178.074 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -94.43 130.1 40.92 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.998 -0.546 . . . . 75.45 110.456 179.727 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -117.69 140.0 50.26 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 114.746 -1.116 . . . . 62.1 108.934 -179.417 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.597 HG13 HG13 ' A' ' 134' ' ' VAL . 3.2 p -140.85 110.72 3.24 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.813 0 CA-C-O 121.873 0.844 . . . . 41.42 110.455 173.033 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -91.6 107.2 19.04 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 114.721 -1.127 . . . . 51.52 109.112 -179.284 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 18.5 tp -99.63 111.64 23.96 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.868 -0.606 . . . . 73.33 110.25 -174.061 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.554 ' HB2' ' HB ' ' A' ' 80' ' ' THR . 70.7 mtt85 -98.97 132.11 44.53 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.746 -0.661 . . . . 73.43 109.966 -178.008 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 47.6 t -115.23 102.58 13.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.245 -0.434 . . . . 72.23 110.66 -178.143 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -99.4 100.9 12.02 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.884 -0.413 . . . . 73.1 109.884 177.081 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.647 HD12 ' HB2' ' A' ' 106' ' ' LEU . 2.5 tm? -111.67 115.42 51.38 Favored Pre-proline 0 C--O 1.235 0.333 0 N-CA-C 108.454 -0.943 . . . . 73.31 108.454 179.651 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 104' ' ' PRO . . . . . 0.528 ' HD2' HD22 ' A' ' 103' ' ' LEU . 37.0 Cg_endo -65.27 144.56 81.21 Favored 'Trans proline' 0 N--CA 1.464 -0.228 0 C-N-CA 122.829 2.353 . . . . 73.52 112.947 -176.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 69.48 14.41 69.38 Favored Glycine 0 CA--C 1.521 0.426 0 CA-C-N 115.319 -0.855 . . . . 54.45 112.911 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.647 ' HB2' HD12 ' A' ' 103' ' ' LEU . 33.1 tp -117.55 136.98 52.88 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-O 120.791 0.329 . . . . 65.03 111.254 -178.445 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -73.32 164.83 26.12 Favored 'General case' 0 CA--C 1.512 -0.489 0 CA-C-N 115.717 -0.674 . . . . 72.42 110.856 -178.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.546 ' O ' ' HG3' ' A' ' 112' ' ' LYS . . . -68.63 -45.81 70.87 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.44 -0.8 . . . . 74.35 109.674 170.541 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -61.58 -45.28 94.77 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 115.538 -0.755 . . . . 64.13 110.761 -176.175 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 0.475 ' O ' HG22 ' A' ' 113' ' ' THR . . . -71.43 -45.16 63.39 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.719 -0.673 . . . . 73.25 110.052 178.847 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -54.56 -40.91 69.19 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-N 116.078 -0.51 . . . . 54.13 111.686 -178.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 112' ' ' LYS . . . . . 0.546 ' HG3' ' O ' ' A' ' 108' ' ' ALA . 97.3 mttt -56.73 -39.59 74.22 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 120.583 0.23 . . . . 74.23 111.486 -178.414 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 113' ' ' THR . . . . . 0.475 HG22 ' O ' ' A' ' 110' ' ' ALA . 1.2 t -82.03 -35.86 28.37 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-O 120.709 0.29 . . . . 74.22 110.801 -178.471 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.451 ' HG ' ' O ' ' A' ' 110' ' ' ALA . 45.1 mt -66.38 -44.25 83.64 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-O 121.139 0.495 . . . . 61.01 110.083 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.583 HG21 HG12 ' A' ' 138' ' ' VAL . 55.9 t -61.59 -41.19 89.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.655 -0.702 . . . . 72.22 110.148 176.361 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -57.7 -61.46 2.5 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.802 -0.635 . . . . 63.5 110.585 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 117' ' ' ARG . . . . . 0.505 ' O ' HG22 ' A' ' 121' ' ' VAL . 12.2 ptm180 -61.27 -44.94 96.41 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.659 -0.701 . . . . 65.24 111.079 -175.882 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -58.1 -51.11 71.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.97 0.414 . . . . 63.41 111.076 -178.827 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 119' ' ' HIS . . . . . 0.445 ' CE1' HG13 ' A' ' 115' ' ' VAL . 72.4 m80 -75.28 -12.02 60.19 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 116.275 -0.42 . . . . 74.13 111.449 -176.759 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 12.4 t-160 -94.71 -35.87 11.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.231 -0.44 . . . . 75.14 110.913 -178.584 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.505 HG22 ' O ' ' A' ' 117' ' ' ARG . 21.6 m -91.88 -19.79 6.87 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.338 0 CA-C-N 116.691 -0.231 . . . . 74.54 111.588 -177.708 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 49.7 t -135.13 72.28 67.15 Favored Pre-proline 0 CA--C 1.535 0.373 0 CA-C-O 121.103 0.477 . . . . 72.12 111.237 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 92.4 Cg_endo -97.83 137.72 0.42 Allowed 'Trans proline' 0 N--CA 1.452 -0.941 0 C-N-CA 123.033 2.489 . . . . 74.45 111.679 171.548 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 124' ' ' TYR . . . . . 0.404 ' HE1' ' CG ' ' B' ' 50' ' ' PHE . 12.5 t80 -57.81 -25.13 60.18 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-O 121.65 0.738 . . . . 65.44 109.467 176.529 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 125' ' ' SER . . . . . 0.582 ' O ' HG22 ' A' ' 128' ' ' THR . 47.4 t -162.84 140.39 7.99 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 107.653 -1.24 . . . . 62.44 107.653 173.105 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 64.2 t30 -72.21 -31.82 66.21 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.966 0.889 . . . . 73.42 108.959 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 127' ' ' ALA . . . . . 0.694 ' O ' ' HB3' ' A' ' 131' ' ' ASN . . . -76.84 6.95 5.28 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 114.563 -1.199 . . . . 54.1 111.568 178.408 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 128' ' ' THR . . . . . 0.582 HG22 ' O ' ' A' ' 125' ' ' SER . 1.6 t -93.42 -10.16 36.11 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 108.656 -0.868 . . . . 73.21 108.656 -179.753 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 129' ' ' ARG . . . . . 0.458 HH12 HD11 ' A' ' 136' ' ' LEU . 6.3 ptp180 -127.25 -42.56 1.68 Allowed 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 115.315 -0.857 . . . . 72.04 111.343 -178.016 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 12.1 m120 -71.9 -25.48 61.94 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.334 -0.394 . . . . 71.52 110.471 176.931 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 131' ' ' ASN . . . . . 0.694 ' HB3' ' O ' ' A' ' 127' ' ' ALA . 7.5 t30 -103.79 -40.34 6.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.09 -0.505 . . . . 72.12 110.689 -179.712 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 132' ' ' VAL . . . . . 0.49 ' HB ' ' O ' ' A' ' 128' ' ' THR . 22.8 t -103.59 144.2 14.43 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.206 0 CA-C-N 116.05 -0.523 . . . . 70.22 110.112 -177.111 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -80.25 103.94 10.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.073 0.463 . . . . 45.42 111.48 -175.37 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 134' ' ' VAL . . . . . 0.597 HG13 HG13 ' A' ' 97' ' ' VAL . 11.0 t -115.08 113.83 44.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.828 -0.624 . . . . 75.02 110.172 174.694 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.48 97.4 10.46 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.402 -0.592 . . . . 72.41 109.402 -179.878 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.458 HD11 HH12 ' A' ' 129' ' ' ARG . 53.0 mt -75.13 122.27 23.34 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 121.13 0.491 . . . . 50.04 110.673 178.567 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 137' ' ' VAL . . . . . 0.467 ' O ' ' HA ' ' A' ' 100' ' ' ARG . 0.1 OUTLIER -133.73 133.73 56.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.448 -0.796 . . . . 74.42 110.052 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 138' ' ' VAL . . . . . 0.583 HG12 HG21 ' A' ' 115' ' ' VAL . 3.3 m -101.22 139.05 23.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.03 -0.532 . . . . 53.11 110.351 -177.937 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.314 -0.945 0 CA-C-N 115.744 -0.662 . . . . 73.13 110.898 -177.136 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 28.5 ptm . . . . . 0 C--O 1.235 0.317 0 CA-C-O 120.912 0.387 . . . . 72.42 110.734 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 2' ' ' ASN . . . . . 0.455 ' O ' ' HD2' ' A' ' 87' ' ' PRO . 43.2 t30 -100.36 86.71 3.24 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.791 -0.641 . . . . 61.35 109.579 178.674 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 3' ' ' ILE . . . . . 0.52 HG21 ' HB2' ' B' ' 6' ' ' LYS . 29.0 mm -65.41 123.84 19.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 115.705 -0.68 . . . . 72.42 111.267 178.688 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.605 ' HG ' ' HD3' ' A' ' 87' ' ' PRO . 91.8 mt -80.71 -43.71 19.86 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.616 -0.72 . . . . 75.25 110.168 176.872 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 5' ' ' TYR . . . . . . . . . . . . . 52.9 t80 -142.25 132.44 24.77 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 116.157 -0.474 . . . . 75.45 110.714 -178.921 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 6' ' ' LYS . . . . . 0.619 ' HD3' ' HG2' ' A' ' 82' ' ' GLU . 32.1 ttmt -138.62 145.84 41.0 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.941 0.401 . . . . 65.01 111.019 178.217 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 9.3 t -137.51 161.08 37.33 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.484 -0.78 . . . . 72.52 108.979 176.779 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 8' ' ' ALA . . . . . 0.462 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . . . -126.09 149.25 49.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.306 0.574 . . . . 64.22 112.031 -173.082 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 9' ' ' ALA . . . . . 0.579 ' HA ' ' H ' ' B' ' 22' ' ' HIS . . . -140.78 155.96 46.28 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.272 -0.876 . . . . 31.45 108.93 175.509 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 10' ' ' THR . . . . . 0.544 ' HA ' ' HA ' ' A' ' 80' ' ' THR . 9.0 t -138.68 128.43 24.98 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 108.65 -0.871 . . . . 64.31 108.65 -178.029 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 50.6 m -119.09 113.72 21.37 Favored 'General case' 0 C--N 1.314 -0.967 0 CA-C-N 115.892 -0.595 . . . . 74.14 111.001 -173.634 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 12' ' ' THR . . . . . 0.455 ' HB ' ' HE ' ' B' ' 18' ' ' ARG . 3.5 m -95.84 157.7 15.78 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 116.03 -0.532 . . . . 53.42 110.546 -179.495 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -92.24 74.15 1.44 Allowed Glycine 0 N--CA 1.448 -0.543 0 N-CA-C 111.425 -0.67 . . . . 71.12 111.425 174.152 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -58.02 -99.44 0.01 OUTLIER Glycine 0 C--N 1.339 0.745 0 C-N-CA 121.03 -0.605 . . . . 73.4 112.548 179.459 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 16.1 tpp180 -88.8 -55.1 3.84 Favored 'General case' 0 C--N 1.329 -0.313 0 O-C-N 122.49 -0.418 . . . . 65.14 109.941 174.207 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 16' ' ' ASP . . . . . 0.556 ' HA ' ' HE2' ' A' ' 63' ' ' LYS . 12.8 t70 -125.56 -42.8 1.92 Allowed 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.72 -0.474 . . . . 65.33 109.72 177.816 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -164.86 154.86 25.92 Favored Glycine 0 C--N 1.337 0.61 0 C-N-CA 120.294 -0.955 . . . . 74.22 111.952 164.401 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 18' ' ' ARG . . . . . 0.491 ' HA ' ' HA ' ' B' ' 29' ' ' LYS . 14.8 ttp180 -137.73 148.18 45.39 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.94 -0.393 . . . . 74.4 109.94 176.195 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 19' ' ' ALA . . . . . 0.475 ' HB2' ' HB2' ' A' ' 56' ' ' ALA . . . -137.7 123.93 20.5 Favored 'General case' 0 C--O 1.236 0.364 0 N-CA-C 109.968 -0.382 . . . . 64.21 109.968 178.789 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 23.3 m -131.3 114.66 15.3 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.461 -0.336 . . . . 75.11 110.927 -175.177 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 21' ' ' SER . . . . . 0.53 ' HB3' ' N ' ' B' ' 26' ' ' LEU . 36.7 t -68.92 110.72 4.55 Favored 'General case' 0 C--O 1.248 1.017 0 N-CA-C 107.537 -1.283 . . . . 74.21 107.537 175.93 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 22' ' ' HIS . . . . . 0.579 ' H ' ' HA ' ' B' ' 9' ' ' ALA . 37.9 t60 -51.09 -28.34 10.35 Favored 'General case' 0 N--CA 1.467 0.418 0 O-C-N 125.926 2.016 . . . . 73.12 112.453 -167.521 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -80.51 23.91 0.49 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.225 0.536 . . . . 63.54 110.089 -176.839 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 24' ' ' GLN . . . . . 0.439 ' H ' ' C ' ' B' ' 22' ' ' HIS . 27.8 mm-40 62.33 21.27 12.42 Favored 'General case' 0 C--N 1.341 0.237 0 CA-C-N 115.339 -0.846 . . . . 71.43 110.202 178.466 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 25' ' ' LYS . . . . . 0.426 ' HA ' ' HD3' ' B' ' 25' ' ' LYS . 29.7 mmtp -93.52 -20.53 20.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.242 -0.89 . . . . 41.25 111.658 -177.415 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 26' ' ' LEU . . . . . 0.53 ' N ' ' HB3' ' B' ' 21' ' ' SER . 58.1 tp -148.38 145.11 27.92 Favored 'General case' 0 C--O 1.221 -0.401 0 C-N-CA 119.806 -0.758 . . . . 71.52 110.838 175.877 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -156.17 91.83 1.29 Allowed 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.076 -0.713 . . . . 53.33 109.076 174.638 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 4.9 m -132.88 175.43 11.42 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.315 0 CA-C-N 116.004 -0.543 . . . . 74.12 111.28 -178.127 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 29' ' ' LYS . . . . . 0.491 ' HA ' ' HA ' ' B' ' 18' ' ' ARG . 15.1 tttm -143.25 138.91 29.96 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.754 -0.657 . . . . 64.31 110.782 -174.507 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 30' ' ' LEU . . . . . 0.714 ' HA ' ' H ' ' B' ' 44' ' ' THR . 0.0 OUTLIER -124.93 166.84 15.58 Favored 'General case' 0 C--O 1.254 1.313 0 CA-C-O 121.17 0.51 . . . . 72.32 110.988 179.478 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 31' ' ' SER . . . . . 0.525 ' HA ' ' HB3' ' B' ' 16' ' ' ASP . 46.4 m -155.41 123.79 5.92 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 115.158 -0.928 . . . . 62.35 110.707 -175.263 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.44 118.28 35.64 Favored Pre-proline 0 C--O 1.239 0.547 0 CA-C-N 116.02 -0.537 . . . . 75.13 110.409 177.273 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 33' ' ' PRO . . . . . 0.403 ' HG2' HD21 ' B' ' 45' ' ' ASN . 82.1 Cg_exo -49.14 128.85 20.62 Favored 'Trans proline' 0 C--N 1.351 0.674 0 C-N-CA 122.784 2.322 . . . . 71.3 111.543 177.82 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 34' ' ' ARG . . . . . 0.466 ' HA ' ' H ' ' B' ' 38' ' ' GLY . 51.3 ttt180 -64.07 -12.45 39.08 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.369 -0.378 . . . . 71.43 111.207 -173.185 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 43.9 mm-40 -47.98 -39.8 20.57 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 121.443 0.64 . . . . 72.42 110.845 174.824 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 24.1 mt -97.98 11.04 38.82 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 114.977 -1.01 . . . . 63.52 111.108 -171.155 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 88.3 58.19 1.79 Allowed Glycine 0 N--CA 1.452 -0.277 0 CA-C-N 115.91 -0.587 . . . . 51.22 111.68 -177.077 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 38' ' ' GLY . . . . . 0.466 ' H ' ' HA ' ' B' ' 34' ' ' ARG . . . -130.68 -136.44 3.97 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 121.177 -0.535 . . . . 64.12 111.999 -177.872 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -111.65 -24.23 10.2 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.676 0.274 . . . . 71.25 111.475 -176.802 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 55.58 29.19 53.4 Favored Glycine 0 CA--C 1.522 0.515 0 C-N-CA 121.365 -0.445 . . . . 53.13 113.164 -175.87 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -74.44 171.85 13.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.856 0.36 . . . . 45.11 111.169 -178.776 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -72.49 82.29 1.08 Allowed 'General case' 0 C--O 1.235 0.309 0 CA-C-O 121.908 0.861 . . . . 74.14 110.272 177.386 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -145.4 -170.98 14.67 Favored Glycine 0 C--N 1.316 -0.546 0 CA-C-N 114.953 -1.021 . . . . 72.12 111.226 175.736 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 44' ' ' THR . . . . . 0.714 ' H ' ' HA ' ' B' ' 30' ' ' LEU . 15.3 t -114.29 -179.1 3.53 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.865 -0.42 . . . . 35.03 109.865 178.564 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 45' ' ' ASN . . . . . 0.486 ' HB3' ' OE1' ' B' ' 47' ' ' GLU . 5.0 m120 -94.96 135.94 23.2 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 71.14 110.99 -177.211 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 46' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_endo -68.6 -44.93 2.71 Favored 'Trans proline' 0 C--N 1.348 0.551 0 C-N-CA 122.627 2.218 . . . . 54.41 112.345 179.764 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 47' ' ' GLU . . . . . 0.486 ' OE1' ' HB3' ' B' ' 45' ' ' ASN . 0.5 OUTLIER -72.06 -30.22 64.93 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-O 121.058 0.456 . . . . 73.03 109.9 -178.352 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 48' ' ' GLN . . . . . 0.528 HE22 ' C ' ' A' ' 8' ' ' ALA . 8.0 tp60 -66.37 -40.73 89.94 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 115.939 -0.573 . . . . 65.22 110.046 172.534 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -59.06 -47.92 83.48 Favored 'General case' 0 C--O 1.238 0.467 0 CA-C-N 115.592 -0.731 . . . . 73.15 109.206 177.726 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 50' ' ' PHE . . . . . 0.404 ' CG ' ' HE1' ' A' ' 124' ' ' TYR . 78.5 t80 -59.73 -45.32 92.54 Favored 'General case' 0 C--O 1.226 -0.141 0 CA-C-N 115.832 -0.622 . . . . 74.53 110.556 175.583 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -53.28 -52.87 57.68 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.171 -0.468 . . . . 63.22 111.003 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 52' ' ' ALA . . . . . 0.645 ' HB1' ' HB1' ' A' ' 19' ' ' ALA . . . -59.84 -50.37 74.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.716 -0.674 . . . . 74.31 111.088 179.688 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 53' ' ' GLY . . . . . 0.543 ' HA3' HD12 ' A' ' 49' ' ' LEU . . . -62.63 -39.44 97.9 Favored Glycine 0 C--N 1.332 0.326 0 C-N-CA 121.119 -0.562 . . . . 73.22 112.705 -178.449 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -70.25 -48.17 58.08 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 122.965 0.506 . . . . 73.14 110.562 -178.427 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 57.3 p -61.98 -41.02 97.56 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.794 0.331 . . . . 71.55 110.228 -179.381 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 56' ' ' ALA . . . . . 0.427 ' HB2' ' HB2' ' A' ' 19' ' ' ALA . . . -65.05 -45.12 86.67 Favored 'General case' 0 CA--C 1.528 0.1 0 CA-C-N 116.16 -0.473 . . . . 72.32 110.272 175.346 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 57' ' ' CYS . . . . . . . . . . . . . 53.7 t -57.97 -36.56 72.77 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.989 -0.551 . . . . 72.4 110.187 177.611 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 19.9 t80 -64.17 -32.8 74.51 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 116.135 -0.484 . . . . 52.32 109.821 -179.668 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 59' ' ' LEU . . . . . 0.423 HD21 HG23 ' B' ' 79' ' ' VAL . 95.2 mt -69.0 -45.92 69.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.736 -0.665 . . . . 64.41 109.997 175.749 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 16.2 m -60.56 -35.33 75.78 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 116.029 -0.532 . . . . 73.23 110.416 176.665 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.44 -45.91 81.98 Favored 'General case' 0 C--N 1.333 -0.114 0 CA-C-N 115.981 -0.554 . . . . 44.1 110.14 176.768 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 62' ' ' MET . . . . . 0.776 ' HG2' HD12 ' B' ' 73' ' ' LEU . 0.0 OUTLIER -53.15 -53.17 54.37 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 121.716 0.769 . . . . 71.0 110.188 174.212 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 63' ' ' LYS . . . . . 0.598 ' N ' ' SD ' ' B' ' 62' ' ' MET . 27.3 tptp -52.83 -51.91 59.07 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 114.315 -1.312 . . . . 72.03 111.452 178.79 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 73.0 t80 -62.65 -43.33 99.09 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-O 120.81 0.338 . . . . 73.11 110.126 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 2.6 t -50.73 -54.1 10.99 Favored 'Isoleucine or valine' 0 C--O 1.234 0.286 0 CA-C-N 115.73 -0.668 . . . . 75.05 110.464 175.812 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 66' ' ' ALA . . . . . 0.583 ' HA ' ' HG3' ' B' ' 71' ' ' GLN . . . -62.39 -32.71 73.57 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.595 -0.729 . . . . 74.13 109.772 -178.56 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -70.91 -27.84 71.59 Favored Glycine 0 N--CA 1.448 -0.52 0 CA-C-N 114.891 -1.05 . . . . 75.04 112.646 -178.2 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 68' ' ' GLN . . . . . 0.404 HE21 ' HB2' ' B' ' 68' ' ' GLN . 2.2 pt20 -96.26 -22.89 16.96 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-O 121.189 0.518 . . . . 64.5 109.812 -177.856 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 69' ' ' ASN . . . . . 0.449 ' CB ' ' HG2' ' B' ' 71' ' ' GLN . 25.5 m-80 -94.41 3.48 55.12 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.426 -0.806 . . . . 65.21 111.245 -179.374 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 8.1 mptt 59.78 29.0 18.56 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-O 121.284 0.564 . . . . 73.12 110.821 176.192 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 71' ' ' GLN . . . . . 0.583 ' HG3' ' HA ' ' B' ' 66' ' ' ALA . 0.6 OUTLIER -124.13 169.88 11.26 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.652 -0.703 . . . . 74.24 110.385 -174.851 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 14.6 p -128.25 128.22 44.27 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.382 -0.372 . . . . 74.12 110.854 176.095 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 73' ' ' LEU . . . . . 0.776 HD12 ' HG2' ' B' ' 62' ' ' MET . 35.8 mt -102.59 155.11 36.94 Favored Pre-proline 0 C--N 1.328 -0.364 0 N-CA-C 108.833 -0.803 . . . . 75.15 108.833 177.396 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 74' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_exo -55.66 105.74 0.17 Allowed 'Trans proline' 0 C--N 1.348 0.541 0 C-N-CA 122.391 2.061 . . . . 62.01 112.347 -177.852 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -77.01 -5.4 48.58 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.336 -0.393 . . . . 71.53 111.896 -177.148 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -87.52 14.54 8.04 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-O 121.752 0.787 . . . . 60.22 110.291 -178.308 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 77' ' ' THR . . . . . 0.453 ' HB ' HD12 ' B' ' 103' ' ' LEU . 4.2 t -78.71 169.56 18.04 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.29 -0.868 . . . . 73.25 112.027 -177.016 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 23.3 m -150.4 149.24 29.78 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-N 115.622 -0.717 . . . . 71.23 109.36 177.088 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 79' ' ' VAL . . . . . 0.423 HG23 HD21 ' B' ' 59' ' ' LEU . 93.6 t -124.83 147.26 29.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 N-CA-C 109.66 -0.496 . . . . 54.24 109.66 179.665 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 31.5 m -132.02 111.73 11.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.864 0.364 . . . . 72.42 110.3 173.624 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -95.21 104.61 16.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.899 -0.591 . . . . 73.43 110.262 179.486 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 82' ' ' GLU . . . . . 0.538 ' HA ' ' HA ' ' A' ' 8' ' ' ALA . 34.0 tt0 -103.52 109.59 21.3 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.862 -0.422 . . . . 71.23 109.862 -179.658 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 83' ' ' VAL . . . . . 0.431 HG12 ' HB ' ' B' ' 97' ' ' VAL . 18.6 m -104.55 143.19 16.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.866 0.365 . . . . 71.44 111.038 -175.684 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 84' ' ' GLY . . . . . 0.412 ' HA2' ' HA ' ' A' ' 6' ' ' LYS . . . -140.52 161.67 26.57 Favored Glycine 0 N--CA 1.441 -1.03 0 N-CA-C 111.524 -0.63 . . . . 52.45 111.524 178.07 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -140.64 132.01 29.81 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.84 0 N-CA-C 109.625 -0.509 . . . . 73.1 109.625 -177.663 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -144.03 169.84 26.08 Favored Glycine 0 CA--C 1.518 0.24 0 N-CA-C 110.948 -0.861 . . . . 52.3 110.948 178.723 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 87' ' ' PRO . . . . . 0.579 ' HD3' ' HG ' ' A' ' 4' ' ' LEU . 73.3 Cg_endo -75.11 138.87 23.33 Favored 'Trans proline' 0 C--O 1.234 0.3 0 C-N-CA 122.18 1.92 . . . . 61.3 112.211 -177.888 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 88' ' ' ASN . . . . . . . . . . . . . 53.7 t-20 -94.46 137.52 33.49 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.022 -0.732 . . . . 72.3 109.022 178.383 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -66.25 -12.59 57.21 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 121.149 0.499 . . . . 65.22 110.867 -177.887 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -67.44 -19.88 65.43 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-O 121.659 0.742 . . . . 74.05 110.235 173.129 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.43 35.12 3.42 Favored Glycine 0 N--CA 1.452 -0.24 0 CA-C-N 115.144 -0.934 . . . . 72.2 112.283 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . -145.93 -140.59 3.52 Favored Glycine 0 N--CA 1.451 -0.308 0 N-CA-C 111.091 -0.804 . . . . 70.13 111.091 177.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 93' ' ' PHE . . . . . . . . . . . . . 27.3 m-85 -117.17 166.89 11.71 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.933 -0.395 . . . . 73.12 109.933 175.417 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -145.72 130.8 18.34 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.639 -0.71 . . . . 62.21 109.503 -178.802 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -99.91 127.06 46.13 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-O 121.095 0.474 . . . . 74.21 111.066 -175.893 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 96' ' ' ASP . . . . . 0.445 ' HB2' ' SD ' ' A' ' 1' ' ' MET . 32.5 t70 -114.69 110.27 19.49 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.174 -0.921 . . . . 73.53 109.021 177.109 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 97' ' ' VAL . . . . . 0.627 HG13 HG22 ' B' ' 134' ' ' VAL . 0.2 OUTLIER -121.3 119.19 58.43 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.956 0 CA-C-O 121.407 0.622 . . . . 65.34 110.574 -176.681 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 98' ' ' GLU . . . . . 0.514 ' HG2' HG11 ' B' ' 137' ' ' VAL . 34.2 tt0 -107.15 118.76 37.57 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.192 -0.913 . . . . 74.42 109.818 -174.896 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 77.1 mt -103.88 112.1 24.92 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 120.647 0.261 . . . . 61.12 110.387 -177.928 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 100' ' ' ARG . . . . . 0.536 ' HA ' ' O ' ' B' ' 137' ' ' VAL . 70.3 mtt180 -99.54 120.48 39.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.135 -0.484 . . . . 64.11 110.717 -177.332 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 101' ' ' VAL . . . . . . . . . . . . . 94.8 t -109.72 103.37 15.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.955 -0.566 . . . . 60.12 110.922 -176.809 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 102' ' ' ALA . . . . . 0.542 ' HA ' ' HB3' ' B' ' 139' ' ' ALA . . . -92.51 101.17 13.61 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.735 -0.839 . . . . 53.32 108.735 172.867 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 103' ' ' LEU . . . . . 0.555 HD12 ' HD2' ' B' ' 104' ' ' PRO . 17.1 tp -120.19 107.86 38.95 Favored Pre-proline 0 C--N 1.33 -0.271 0 N-CA-C 109.182 -0.673 . . . . 72.24 109.182 -173.505 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 104' ' ' PRO . . . . . 0.555 ' HD2' HD12 ' B' ' 103' ' ' LEU . 80.9 Cg_endo -73.59 156.67 49.33 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 123.201 2.601 . . . . 74.24 113.109 -171.823 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 105' ' ' GLY . . . . . . . . . . . . . . . 71.74 15.67 75.87 Favored Glycine 0 C--N 1.334 0.434 0 CA-C-N 115.951 -0.568 . . . . 72.34 112.326 179.398 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 106' ' ' LEU . . . . . 0.508 ' CD2' HD23 ' B' ' 103' ' ' LEU . 23.9 tp -138.16 141.12 40.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.688 0.28 . . . . 60.53 111.195 -172.626 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -76.63 147.14 37.73 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 115.913 -0.585 . . . . 63.12 110.207 174.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -64.35 -36.3 83.69 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.824 0.345 . . . . 34.32 110.932 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -59.02 -51.64 69.18 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 116.132 -0.485 . . . . 64.51 110.779 179.799 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 110' ' ' ALA . . . . . 0.47 ' O ' HG22 ' B' ' 113' ' ' THR . . . -68.98 -37.5 78.8 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-O 121.12 0.486 . . . . 72.03 110.309 177.373 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 111' ' ' ALA . . . . . 0.503 ' HA ' HD21 ' B' ' 106' ' ' LEU . . . -55.53 -36.15 66.43 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.745 -0.661 . . . . 64.14 110.689 179.084 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 112' ' ' LYS . . . . . . . . . . . . . 50.6 mttm -54.45 -49.26 70.46 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.2 -0.454 . . . . 74.45 110.893 176.352 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 113' ' ' THR . . . . . 0.47 HG22 ' O ' ' B' ' 110' ' ' ALA . 1.1 t -74.87 -33.84 62.14 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 121.105 -0.238 . . . . 72.03 110.766 -175.614 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 46.0 mt -67.11 -48.74 67.21 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 116.581 -0.281 . . . . 70.23 110.368 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 115' ' ' VAL . . . . . 0.551 ' O ' ' HB2' ' B' ' 119' ' ' HIS . 86.4 t -65.26 -34.51 70.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.198 -0.455 . . . . 63.55 109.94 176.671 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -62.22 -53.63 52.41 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 116.385 -0.37 . . . . 75.43 111.269 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 117' ' ' ARG . . . . . 0.438 ' HG2' ' O ' ' B' ' 113' ' ' THR . 5.2 ptm180 -68.36 -38.2 81.18 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 116.13 -0.486 . . . . 70.2 110.267 -177.372 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -61.12 -39.66 90.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.338 0.589 . . . . 61.11 109.522 174.6 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 119' ' ' HIS . . . . . 0.551 ' HB2' ' O ' ' B' ' 115' ' ' VAL . 2.8 t-80 -78.69 10.88 2.89 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 115.241 -0.89 . . . . 74.31 110.574 178.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 15.8 m170 -108.56 -40.32 5.14 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-O 120.684 0.278 . . . . 61.52 110.433 173.243 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 35.0 m -84.54 -37.56 12.78 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.292 0 N-CA-C 112.023 0.379 . . . . 63.42 112.023 -175.193 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 122' ' ' CYS . . . . . . . . . . . . . 81.9 m -65.49 143.24 98.62 Favored Pre-proline 0 CA--C 1.534 0.361 0 CA-C-N 116.703 -0.226 . . . . 74.53 111.514 -174.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 123' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_endo -65.51 166.51 19.46 Favored 'Trans proline' 0 C--N 1.354 0.851 0 C-N-CA 122.671 2.247 . . . . 65.25 111.179 176.755 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 124' ' ' TYR . . . . . . . . . . . . . 85.3 m-85 . . . . . 0 N--CA 1.474 0.77 0 C-N-CA 123.163 0.585 . . . . 65.35 110.747 -175.487 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 128' ' ' THR . . . . . 0.561 ' O ' HG23 ' B' ' 134' ' ' VAL . 1.4 t . . . . . 0 N--CA 1.452 -0.336 0 CA-C-O 120.683 0.278 . . . . 55.14 110.37 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 129' ' ' ARG . . . . . . . . . . . . . 15.6 ptm180 -109.85 -41.72 4.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.76 0.314 . . . . 75.21 110.329 -177.392 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 130' ' ' ASN . . . . . . . . . . . . . 43.5 m-80 -78.48 -46.79 18.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.186 0.517 . . . . 74.14 109.981 176.457 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 131' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -82.83 -43.94 16.07 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 115.546 -0.752 . . . . 75.43 110.61 -176.656 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 132' ' ' VAL . . . . . 0.466 HG12 ' N ' ' B' ' 133' ' ' ALA . 21.3 t -112.08 167.93 5.27 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.459 0 CA-C-N 116.307 -0.406 . . . . 52.13 110.112 -174.186 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 133' ' ' ALA . . . . . 0.466 ' N ' HG12 ' B' ' 132' ' ' VAL . . . -98.44 88.98 4.27 Favored 'General case' 0 C--O 1.243 0.715 0 CA-C-O 121.533 0.682 . . . . 72.23 112.043 -176.805 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 134' ' ' VAL . . . . . 0.627 HG22 HG13 ' B' ' 97' ' ' VAL . 86.8 t -103.03 126.85 57.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.062 -0.972 . . . . 61.1 110.613 173.252 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 26.3 ttp-105 -101.39 110.75 22.81 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.804 -0.635 . . . . 74.32 109.561 176.861 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 136' ' ' LEU . . . . . 0.449 HD11 ' CG ' ' B' ' 119' ' ' HIS . 64.0 mt -80.47 117.36 21.13 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 121.291 0.567 . . . . 72.41 110.631 179.816 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 137' ' ' VAL . . . . . 0.536 ' O ' ' HA ' ' B' ' 100' ' ' ARG . 0.1 OUTLIER -121.88 115.52 46.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.296 -0.866 . . . . 72.22 109.592 179.863 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 138' ' ' VAL . . . . . . . . . . . . . 11.4 m -97.79 138.83 21.46 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-N 115.72 -0.673 . . . . 70.52 109.857 -178.054 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 139' ' ' ALA . . . . . 0.542 ' HB3' ' HA ' ' B' ' 102' ' ' ALA . . . . . . . . 0 C--N 1.309 -1.158 0 CA-C-O 118.325 -0.845 . . . . 71.35 110.256 -173.018 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.5 ptt? . . . . . 0 N--CA 1.484 1.246 0 CA-C-O 120.478 0.18 . . . . 71.43 110.681 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 50.9 t30 -77.68 71.39 4.16 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 121.249 0.547 . . . . 75.52 110.744 -179.014 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.534 HG21 ' HB2' ' A' ' 6' ' ' LYS . 34.2 mm -59.54 119.8 4.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 115.762 -0.654 . . . . 51.02 111.218 174.533 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.614 ' HG ' ' HD3' ' B' ' 87' ' ' PRO . 93.0 mt -78.79 -45.22 21.48 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.329 -0.851 . . . . 74.21 110.239 177.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 27.7 t80 -137.37 133.82 35.26 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.139 -0.482 . . . . 54.43 109.83 -179.561 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.534 ' HB2' HG21 ' A' ' 3' ' ' ILE . 36.4 ttmt -136.91 144.63 43.57 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.15 -0.477 . . . . 62.42 110.724 178.767 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 9.3 t -145.35 145.14 31.08 Favored 'General case' 0 C--O 1.237 0.422 0 N-CA-C 109.209 -0.663 . . . . 73.02 109.209 177.434 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -120.58 136.27 54.85 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-O 121.122 0.487 . . . . 64.34 111.178 -174.585 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -127.93 129.41 46.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.982 -0.554 . . . . 65.14 110.394 179.329 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 7.9 t -96.1 121.38 37.81 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.169 0.509 . . . . 73.43 109.643 179.36 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 33.0 p -112.3 115.2 28.38 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.02 -0.536 . . . . 71.32 110.728 -179.317 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.9 m -88.29 166.95 13.95 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.622 -0.511 . . . . 72.12 109.622 176.713 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -80.62 8.34 55.22 Favored Glycine 0 CA--C 1.522 0.522 0 C-N-CA 120.807 -0.711 . . . . 62.44 113.171 179.058 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 33.23 -133.32 0.27 Allowed Glycine 0 C--N 1.344 1.006 0 O-C-N 123.576 0.221 . . . . 62.02 112.717 -174.929 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 29.2 ttm180 -88.93 -34.49 16.9 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 108.098 -1.075 . . . . 73.04 108.098 162.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.465 ' HB3' ' HA ' ' A' ' 31' ' ' SER . 40.6 t0 -125.9 -42.44 1.9 Allowed 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 115.474 -0.784 . . . . 74.22 109.726 170.641 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -164.3 162.62 35.48 Favored Glycine 0 C--N 1.344 1.009 0 C-N-CA 120.129 -1.034 . . . . 73.12 112.338 169.012 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.693 ' HA ' ' HA ' ' A' ' 29' ' ' LYS . 57.5 ttp180 -149.38 144.51 26.44 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.482 -0.562 . . . . 73.24 109.482 175.771 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.696 ' HB1' ' HB1' ' B' ' 52' ' ' ALA . . . -134.66 123.57 23.95 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 110.167 -0.308 . . . . 71.12 110.167 179.337 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 47.1 m -135.93 112.46 9.99 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.177 -0.465 . . . . 63.53 110.163 -178.559 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.561 ' HB3' ' N ' ' A' ' 26' ' ' LEU . 23.3 t -70.44 107.24 3.73 Favored 'General case' 0 C--O 1.242 0.663 0 N-CA-C 106.793 -1.558 . . . . 62.3 106.793 176.008 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.407 ' C ' ' H ' ' A' ' 24' ' ' GLN . 80.0 t60 -55.95 -29.08 59.62 Favored 'General case' 0 N--CA 1.472 0.659 0 O-C-N 125.756 1.91 . . . . 71.44 112.772 -164.442 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -80.39 17.82 1.01 Allowed 'General case' 0 C--N 1.317 -0.837 0 CA-C-O 121.375 0.607 . . . . 73.43 110.221 178.889 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.407 ' H ' ' C ' ' A' ' 22' ' ' HIS . 25.0 mm-40 72.08 23.75 3.36 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 114.495 -1.229 . . . . 72.53 110.488 172.653 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.8 mtmp? -86.96 -16.59 35.38 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-N 115.662 -0.699 . . . . 73.44 111.499 175.512 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.561 ' N ' ' HB3' ' A' ' 21' ' ' SER . 42.8 tp -157.44 146.61 19.93 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 119.906 -0.718 . . . . 74.42 111.556 177.617 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -156.54 98.17 1.79 Allowed 'General case' 0 N--CA 1.465 0.298 0 O-C-N 123.61 0.569 . . . . 74.13 110.627 173.271 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.456 ' O ' ' HG3' ' A' ' 18' ' ' ARG . 2.7 m -147.52 174.6 1.78 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.265 0 CA-C-O 121.027 0.441 . . . . 62.12 110.801 174.684 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.693 ' HA ' ' HA ' ' A' ' 18' ' ' ARG . 0.6 OUTLIER -137.9 144.72 41.45 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.76 -0.655 . . . . 62.42 110.077 -179.39 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.566 ' N ' HD13 ' A' ' 30' ' ' LEU . 0.0 OUTLIER -131.4 173.7 10.82 Favored 'General case' 0 C--O 1.255 1.348 0 CA-C-O 121.646 0.736 . . . . 64.12 112.216 -175.755 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.465 ' HA ' ' HB3' ' A' ' 16' ' ' ASP . 35.7 t -162.96 138.14 6.69 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 114.296 -1.32 . . . . 75.34 109.706 -177.716 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.58 149.28 95.72 Favored Pre-proline 0 C--N 1.327 -0.41 0 CA-C-N 116.085 -0.507 . . . . 52.21 110.405 177.12 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.598 ' HD3' ' HB2' ' A' ' 45' ' ' ASN . 21.1 Cg_endo -60.89 116.3 3.27 Favored 'Trans proline' 0 C--N 1.348 0.547 0 C-N-CA 122.298 1.998 . . . . 73.33 111.61 -176.337 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.444 ' HG2' ' N ' ' A' ' 40' ' ' GLY . 0.0 OUTLIER -58.09 -20.65 41.39 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 116.43 -0.35 . . . . 50.12 110.333 -179.669 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 26.3 mm-40 -46.42 -47.68 18.95 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.651 -0.704 . . . . 75.14 110.847 174.728 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 7.7 mp -103.88 24.43 11.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.503 -0.771 . . . . 63.44 110.545 -177.063 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 79.18 32.0 40.62 Favored Glycine 0 C--N 1.333 0.382 0 CA-C-N 115.984 -0.553 . . . . 72.22 112.924 178.173 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -53.73 -70.59 0.89 Allowed Glycine 0 CA--C 1.523 0.554 0 C-N-CA 121.53 -0.366 . . . . 73.44 113.542 -179.612 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.52 ' HB2' ' HE3' ' B' ' 63' ' ' LYS . . . -167.69 -61.1 0.03 OUTLIER 'General case' 0 C--O 1.232 0.158 0 CA-C-O 120.876 0.369 . . . . 63.22 111.207 178.543 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.444 ' N ' ' HG2' ' A' ' 34' ' ' ARG . . . 126.32 57.69 0.15 Allowed Glycine 0 N--CA 1.458 0.11 0 C-N-CA 121.046 -0.597 . . . . 45.53 112.462 -175.097 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -149.75 140.37 22.56 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 110.107 -0.331 . . . . 44.21 110.107 177.375 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -73.23 88.18 1.49 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.761 0.791 . . . . 71.23 109.688 176.546 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -139.56 -167.81 11.09 Favored Glycine 0 C--N 1.315 -0.631 0 CA-C-N 115.5 -0.773 . . . . 55.55 111.928 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.558 ' O ' ' HB2' ' A' ' 30' ' ' LEU . 53.6 m -92.83 135.63 33.96 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.61 -0.515 . . . . 74.01 109.61 179.405 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.598 ' HB2' ' HD3' ' A' ' 33' ' ' PRO . 7.4 p-10 -79.02 129.25 73.68 Favored Pre-proline 0 C--O 1.237 0.419 0 N-CA-C 109.215 -0.661 . . . . 72.33 109.215 177.181 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 45' ' ' ASN . 77.2 Cg_exo -49.44 -36.58 39.51 Favored 'Trans proline' 0 C--N 1.349 0.591 0 C-N-CA 123.214 2.609 . . . . 63.04 112.913 -174.324 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.53 ' CD ' ' H ' ' A' ' 47' ' ' GLU . 4.6 mp0 -56.84 -48.62 77.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.735 -0.666 . . . . 62.13 109.919 -179.736 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.514 ' OE1' ' HB2' ' B' ' 21' ' ' SER . 1.0 OUTLIER -67.96 -41.46 82.41 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.858 -0.61 . . . . 72.35 110.194 -178.956 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -54.88 -48.85 72.44 Favored 'General case' 0 C--O 1.238 0.479 0 CA-C-N 115.973 -0.558 . . . . 71.11 109.533 -178.356 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.48 ' CG ' ' HE1' ' B' ' 124' ' ' TYR . 73.1 t80 -67.87 -43.54 79.18 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.638 -0.71 . . . . 64.45 111.022 179.31 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.418 ' O ' ' HB2' ' A' ' 55' ' ' SER . . . -51.17 -53.6 33.16 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.813 0.339 . . . . 52.03 111.023 176.108 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.518 ' HB1' ' HB1' ' B' ' 19' ' ' ALA . . . -61.66 -50.11 73.81 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-N 115.908 -0.587 . . . . 51.43 111.132 -178.712 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.485 ' O ' ' SG ' ' A' ' 57' ' ' CYS . . . -58.44 -56.19 26.61 Favored Glycine 0 C--O 1.226 -0.364 0 CA-C-N 115.656 -0.702 . . . . 45.35 111.973 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 7.0 t80 -60.91 -37.04 80.88 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 122.988 0.515 . . . . 71.4 110.898 -178.722 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.418 ' HB2' ' O ' ' A' ' 51' ' ' ALA . 8.6 t -60.74 -53.58 55.63 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.223 0.535 . . . . 50.31 109.726 179.081 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.543 ' HB1' HD21 ' B' ' 30' ' ' LEU . . . -67.35 -33.7 75.77 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.772 -0.649 . . . . 72.41 110.738 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.639 ' SG ' ' HB3' ' B' ' 46' ' ' PRO . 80.5 m -66.57 -36.42 82.61 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.998 -0.546 . . . . 74.4 110.024 177.713 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 36.1 t80 -69.7 -37.71 76.68 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.097 -0.705 . . . . 64.12 109.097 -179.589 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.468 ' O ' ' HG3' ' A' ' 63' ' ' LYS . 49.6 tp -65.31 -45.85 82.7 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 115.589 -0.732 . . . . 74.12 110.29 176.346 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 32.8 t -62.06 -48.6 79.53 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 116.045 -0.525 . . . . 74.4 110.234 178.779 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.452 ' O ' HG23 ' A' ' 65' ' ' VAL . . . -59.57 -40.62 87.93 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.047 -0.524 . . . . 64.15 110.229 177.935 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' MET . . . . . 0.439 ' HG3' ' CD1' ' A' ' 73' ' ' LEU . 5.5 tpt -58.76 -35.61 73.05 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.962 -0.563 . . . . 61.32 110.182 177.658 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.529 ' NZ ' ' HA ' ' B' ' 16' ' ' ASP . 97.2 mttt -67.57 -51.95 44.47 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-O 120.903 0.382 . . . . 62.32 110.249 176.345 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.408 ' CZ ' ' HE1' ' B' ' 93' ' ' PHE . 58.9 t80 -59.87 -35.03 73.95 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 115.986 -0.552 . . . . 70.35 110.054 -178.6 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.452 HG23 ' O ' ' A' ' 61' ' ' ALA . 54.6 t -64.22 -44.13 97.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.947 -0.57 . . . . 51.41 109.767 173.46 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.59 -30.79 68.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.099 0.476 . . . . 55.45 110.087 175.159 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -70.12 -34.28 70.03 Favored Glycine 0 C--N 1.33 0.228 0 CA-C-N 115.292 -0.867 . . . . 65.01 112.108 -177.549 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -88.0 -20.35 25.94 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.642 0.734 . . . . 73.33 109.046 178.337 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.516 ' HB3' ' HG2' ' A' ' 71' ' ' GLN . 8.6 m-80 -86.95 -3.36 59.08 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 114.792 -1.095 . . . . 73.35 110.915 176.042 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 9.8 mptt 55.06 30.68 14.7 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-O 121.467 0.651 . . . . 70.5 110.903 177.711 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.516 ' HG2' ' HB3' ' A' ' 69' ' ' ASN . 0.0 OUTLIER -119.22 158.15 26.59 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 114.945 -1.025 . . . . 65.11 109.287 176.579 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 17.1 p -118.45 137.26 53.29 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.945 0.402 . . . . 71.13 111.297 -177.348 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.439 ' CD1' ' HG3' ' A' ' 62' ' ' MET . 79.8 mt -109.39 138.05 20.43 Favored Pre-proline 0 CA--C 1.535 0.378 0 CA-C-N 115.939 -0.573 . . . . 63.13 109.946 179.687 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.51 ' HD2' HD11 ' A' ' 103' ' ' LEU . 35.4 Cg_exo -59.57 141.77 97.78 Favored 'Trans proline' 0 C--N 1.351 0.693 0 C-N-CA 123.164 2.576 . . . . 75.32 113.099 -179.331 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -77.25 -9.89 59.08 Favored 'General case' 0 N--CA 1.467 0.386 0 N-CA-C 112.166 0.432 . . . . 74.43 112.166 -179.3 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -89.93 17.47 6.74 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.653 0.74 . . . . 72.44 110.903 -177.625 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.516 ' HB ' HD12 ' A' ' 103' ' ' LEU . 10.0 t -86.33 168.48 13.83 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.552 -0.749 . . . . 73.42 111.372 -178.097 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.507 HG22 ' HA ' ' B' ' 12' ' ' THR . 1.0 OUTLIER -153.75 149.36 27.38 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 115.766 -0.652 . . . . 65.01 110.742 -179.164 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 74.2 t -131.92 121.99 48.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 N-CA-C 109.124 -0.695 . . . . 73.54 109.124 173.47 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.546 ' HA ' ' HA ' ' B' ' 10' ' ' THR . 16.5 m -106.18 112.54 25.62 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.602 -0.272 . . . . 61.0 110.756 -179.814 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -93.19 105.87 17.91 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.575 -0.528 . . . . 75.0 109.575 176.424 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.47 ' HA ' ' HA ' ' B' ' 8' ' ' ALA . 31.2 tt0 -104.67 107.58 18.6 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 108.677 -0.86 . . . . 74.0 108.677 -179.745 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 30.7 m -112.14 144.94 18.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 121.118 0.485 . . . . 74.25 111.811 -171.181 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.403 ' HA2' ' HA ' ' B' ' 6' ' ' LYS . . . -136.43 160.51 24.77 Favored Glycine 0 N--CA 1.438 -1.179 0 CA-C-N 115.392 -0.822 . . . . 64.22 111.712 177.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -129.81 132.55 65.77 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.777 0 N-CA-C 108.563 -0.903 . . . . 71.32 108.563 178.23 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' GLY . . . . . 0.432 ' HA2' ' HG ' ' B' ' 4' ' ' LEU . . . -149.75 169.81 29.9 Favored Glycine 0 C--N 1.329 0.15 0 O-C-N 123.689 0.618 . . . . 64.2 111.575 -176.182 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.678 ' HD3' ' HG ' ' B' ' 4' ' ' LEU . 90.9 Cg_endo -81.97 140.95 11.62 Favored 'Trans proline' 0 N--CA 1.458 -0.591 0 C-N-CA 122.297 1.998 . . . . 75.13 112.816 -177.266 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -79.07 159.39 27.56 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.422 -0.808 . . . . 63.43 109.279 175.863 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -57.24 -26.0 60.04 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-O 120.753 0.311 . . . . 74.31 111.486 -178.585 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -73.37 -24.41 60.32 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-O 121.186 0.517 . . . . 62.35 111.092 179.535 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.3 25.15 7.16 Favored Glycine 0 N--CA 1.453 -0.221 0 CA-C-N 115.813 -0.631 . . . . 52.42 112.029 -176.098 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' GLY . . . . . 0.472 ' O ' ' HA ' ' A' ' 87' ' ' PRO . . . -108.01 -160.65 20.67 Favored Glycine 0 C--N 1.332 0.322 0 N-CA-C 110.657 -0.977 . . . . 74.12 110.657 173.673 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 59.2 m-85 -108.83 152.28 25.1 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 117.413 0.606 . . . . 72.25 110.622 177.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -147.83 145.5 28.75 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 115.865 -0.607 . . . . 73.43 110.205 -177.792 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -104.91 149.28 25.84 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 121.175 0.512 . . . . 75.45 111.456 -176.333 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -135.26 125.58 26.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 114.961 -1.018 . . . . 62.1 109.31 -177.319 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.527 ' HB ' HG22 ' A' ' 134' ' ' VAL . 53.9 t -125.88 111.01 25.43 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.29 0 CA-C-O 120.742 0.306 . . . . 41.42 111.366 -177.258 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -93.54 108.64 20.32 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.676 -0.491 . . . . 51.52 109.676 176.471 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 71.3 mt -94.32 107.14 19.11 Favored 'General case' 0 C--O 1.237 0.423 0 CA-C-O 121.313 0.577 . . . . 73.33 110.396 179.71 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.515 ' HA ' HG13 ' A' ' 137' ' ' VAL . 34.9 ttm180 -99.64 118.44 36.18 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.021 -0.991 . . . . 73.43 110.231 -177.183 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 45.5 t -112.82 104.92 17.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 120.479 0.181 . . . . 72.23 111.233 -173.062 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -102.94 101.37 11.39 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.965 -0.383 . . . . 73.1 109.965 176.456 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.817 HD23 HD22 ' A' ' 106' ' ' LEU . 28.9 tp -114.18 120.97 37.43 Favored Pre-proline 0 C--N 1.33 -0.276 0 N-CA-C 109.302 -0.629 . . . . 73.31 109.302 179.274 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 104' ' ' PRO . . . . . 0.553 ' HD2' HD12 ' A' ' 103' ' ' LEU . 45.9 Cg_endo -72.23 148.99 50.72 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.522 2.148 . . . . 73.52 112.313 -177.926 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 74.88 15.28 80.99 Favored Glycine 0 C--N 1.332 0.327 0 CA-C-N 115.862 -0.608 . . . . 54.45 112.269 -178.695 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.817 HD22 HD23 ' A' ' 103' ' ' LEU . 44.4 tp -129.97 143.27 50.71 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 122.618 0.367 . . . . 65.03 111.356 -174.482 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -80.8 166.7 20.72 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 116.205 -0.452 . . . . 72.42 110.802 178.324 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -68.63 -44.11 74.89 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.606 -0.724 . . . . 74.35 110.37 171.182 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -64.42 -47.79 77.81 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 115.762 -0.654 . . . . 64.13 110.791 -176.901 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 0.574 ' O ' HG22 ' A' ' 113' ' ' THR . . . -69.15 -41.2 77.6 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.847 -0.615 . . . . 73.25 109.919 178.786 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 111' ' ' ALA . . . . . 0.523 ' HA ' HD21 ' A' ' 106' ' ' LEU . . . -54.53 -43.84 72.27 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.134 -0.484 . . . . 54.13 111.226 177.77 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 112' ' ' LYS . . . . . 0.458 ' HA ' HG11 ' A' ' 138' ' ' VAL . 44.8 mttp -53.7 -43.52 69.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.456 -0.338 . . . . 74.23 111.334 177.925 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 113' ' ' THR . . . . . 0.574 HG22 ' O ' ' A' ' 110' ' ' ALA . 1.0 OUTLIER -74.54 -35.24 63.12 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 120.809 -0.356 . . . . 74.22 110.634 -177.231 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.413 ' HG ' ' O ' ' A' ' 110' ' ' ALA . 53.4 mt -69.35 -47.01 65.62 Favored 'General case' 0 C--O 1.231 0.119 0 CA-C-O 120.776 0.322 . . . . 61.01 110.554 -178.625 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 66.4 t -65.4 -35.25 74.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.112 -0.494 . . . . 72.22 110.016 177.706 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -59.32 -57.29 13.67 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 115.623 -0.717 . . . . 63.5 110.531 178.511 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 11.3 ptm180 -66.03 -39.47 90.2 Favored 'General case' 0 CA--C 1.528 0.115 0 CA-C-N 115.987 -0.551 . . . . 65.24 110.909 -177.263 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -60.17 -49.79 76.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.239 0.542 . . . . 63.41 110.554 178.911 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 83.1 t60 -71.68 -9.73 58.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.584 -0.735 . . . . 74.13 110.659 -179.738 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 4.9 t-80 -91.45 -39.67 11.84 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 115.686 -0.688 . . . . 75.14 111.04 177.436 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 31.1 m -79.4 -44.04 23.74 Favored 'Isoleucine or valine' 0 C--O 1.237 0.396 0 N-CA-C 111.974 0.361 . . . . 74.54 111.974 -173.512 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 44.9 t -150.15 84.94 5.61 Favored Pre-proline 0 CA--C 1.533 0.326 0 CA-C-O 120.826 0.346 . . . . 72.12 111.879 -175.915 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 95.6 Cg_endo -87.91 -178.74 2.31 Favored 'Trans proline' 0 CA--C 1.535 0.57 0 C-N-CA 122.818 2.346 . . . . 74.45 110.883 169.006 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -76.92 -8.71 57.87 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-O 121.179 0.514 . . . . 65.44 110.231 -179.697 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 125' ' ' SER . . . . . 0.635 ' HB3' ' HB ' ' A' ' 128' ' ' THR . 29.2 t 179.44 153.91 0.46 Allowed 'General case' 0 C--O 1.234 0.253 0 N-CA-C 108.495 -0.928 . . . . 62.44 108.495 179.466 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 126' ' ' ASN . . . . . 0.407 ' OD1' ' N ' ' A' ' 127' ' ' ALA . 36.6 p30 -69.22 -31.83 70.69 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.602 0.715 . . . . 73.42 109.214 177.04 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 127' ' ' ALA . . . . . 0.489 ' O ' ' HB3' ' A' ' 131' ' ' ASN . . . -88.07 4.77 44.05 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.173 -0.922 . . . . 54.1 112.069 -178.461 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 128' ' ' THR . . . . . 0.635 ' HB ' ' HB3' ' A' ' 125' ' ' SER . 2.8 t -87.19 -3.75 59.07 Favored 'General case' 0 CA--C 1.513 -0.446 0 N-CA-C 107.752 -1.203 . . . . 73.21 107.752 -176.308 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 21.0 ptt180 -127.3 -42.99 1.65 Allowed 'General case' 0 N--CA 1.438 -1.036 0 CA-C-N 113.952 -1.476 . . . . 72.04 110.087 178.77 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 82.3 m-20 -78.6 -29.31 45.99 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 115.504 -0.771 . . . . 71.52 111.897 -178.062 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 131' ' ' ASN . . . . . 0.489 ' HB3' ' O ' ' A' ' 127' ' ' ALA . 65.7 t30 -101.32 -40.47 7.1 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 121.266 0.555 . . . . 72.12 109.871 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 39.4 t -97.26 125.85 50.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.3 -0.864 . . . . 70.22 109.833 -178.444 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -69.16 104.01 2.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.049 0.452 . . . . 45.42 110.748 -178.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 134' ' ' VAL . . . . . 0.527 HG22 ' HB ' ' A' ' 97' ' ' VAL . 74.2 t -114.16 125.16 71.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.813 -0.631 . . . . 75.02 110.858 -179.616 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 12.9 mmt180 -92.54 117.89 30.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.668 -0.696 . . . . 72.41 109.201 178.741 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 45.8 mt -88.31 113.0 23.47 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.204 0.526 . . . . 50.04 110.279 176.662 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 137' ' ' VAL . . . . . 0.515 HG13 ' HA ' ' A' ' 100' ' ' ARG . 0.2 OUTLIER -126.66 113.53 33.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 115.33 -0.85 . . . . 74.42 109.978 -179.227 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 138' ' ' VAL . . . . . 0.458 HG11 ' HA ' ' A' ' 112' ' ' LYS . 4.4 m -98.38 138.87 21.75 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-N 115.756 -0.656 . . . . 53.11 110.337 -178.3 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.313 -0.994 0 CA-C-N 115.118 -0.946 . . . . 73.13 110.83 -175.633 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 1' ' ' MET . . . . . 0.434 ' HE3' HD13 ' B' ' 3' ' ' ILE . 17.2 ptt? . . . . . 0 C--O 1.234 0.25 0 CA-C-O 120.858 0.361 . . . . 72.42 110.9 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 2' ' ' ASN . . . . . 0.584 ' O ' ' HD2' ' A' ' 87' ' ' PRO . 38.9 t30 -75.29 80.03 2.39 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-O 121.12 0.486 . . . . 61.35 110.667 176.557 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 3' ' ' ILE . . . . . 0.541 HG21 ' HB2' ' B' ' 6' ' ' LYS . 29.2 mm -73.95 136.55 25.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 115.981 -0.554 . . . . 72.42 111.26 174.872 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.678 ' HG ' ' HD3' ' A' ' 87' ' ' PRO . 92.4 mt -88.76 -46.13 9.23 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.762 -0.654 . . . . 75.25 110.1 174.925 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 5' ' ' TYR . . . . . . . . . . . . . 38.2 t80 -136.42 126.41 26.0 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 116.116 -0.493 . . . . 75.45 110.546 -177.867 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 6' ' ' LYS . . . . . 0.541 ' HB2' HG21 ' B' ' 3' ' ' ILE . 30.5 ttmt -136.19 141.37 44.01 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 121.13 0.49 . . . . 65.01 111.211 178.309 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 6.2 t -138.9 156.71 47.06 Favored 'General case' 0 C--O 1.238 0.448 0 CA-C-N 115.421 -0.809 . . . . 72.52 109.45 178.41 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 8' ' ' ALA . . . . . 0.47 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . . . -118.29 134.7 54.81 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-O 121.06 0.457 . . . . 64.22 111.371 -177.329 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 9' ' ' ALA . . . . . 0.458 ' HA ' ' HA ' ' B' ' 21' ' ' SER . . . -129.14 121.29 27.44 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.924 -0.58 . . . . 31.45 109.805 176.597 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 10' ' ' THR . . . . . 0.546 ' HA ' ' HA ' ' A' ' 80' ' ' THR . 12.6 t -99.98 146.4 26.75 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.854 0.359 . . . . 64.31 110.032 -178.195 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 11' ' ' SER . . . . . 0.615 ' HA ' ' O ' ' B' ' 18' ' ' ARG . 77.2 p -128.71 114.36 16.52 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.203 -0.453 . . . . 74.14 110.188 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 12' ' ' THR . . . . . 0.507 ' HA ' HG22 ' A' ' 78' ' ' THR . 5.3 m -91.86 157.95 16.58 Favored 'General case' 0 C--O 1.238 0.49 0 CA-C-N 115.938 -0.574 . . . . 53.42 110.49 -179.43 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -82.07 73.55 2.62 Favored Glycine 0 N--CA 1.443 -0.891 0 C-N-CA 120.79 -0.719 . . . . 71.12 112.653 177.105 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -67.61 -134.28 0.04 OUTLIER Glycine 0 C--N 1.334 0.449 0 N-CA-C 110.992 -0.843 . . . . 73.4 110.992 173.093 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 15' ' ' ARG . . . . . 0.401 ' HD2' ' HA ' ' B' ' 15' ' ' ARG . 12.3 mmm180 -60.36 -55.37 34.44 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 117.963 0.882 . . . . 65.14 109.245 173.787 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 16' ' ' ASP . . . . . 0.541 ' HB3' ' HA ' ' B' ' 31' ' ' SER . 37.6 t0 -126.63 -43.69 1.72 Allowed 'General case' 0 CA--C 1.518 -0.26 0 C-N-CA 120.77 -0.372 . . . . 65.33 111.176 167.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -151.79 140.81 8.04 Favored Glycine 0 N--CA 1.446 -0.651 0 C-N-CA 119.473 -1.346 . . . . 74.22 112.95 176.083 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 18' ' ' ARG . . . . . 0.615 ' O ' ' HA ' ' B' ' 11' ' ' SER . 11.7 tpt180 -123.46 105.21 9.6 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 108.605 -0.887 . . . . 74.4 108.605 174.677 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 19' ' ' ALA . . . . . 0.518 ' HB1' ' HB1' ' A' ' 52' ' ' ALA . . . -98.46 123.87 42.84 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 110.158 -0.312 . . . . 64.21 110.158 -175.262 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 32.0 m -141.13 115.29 9.28 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.322 -0.399 . . . . 75.11 110.669 -175.378 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 21' ' ' SER . . . . . 0.588 ' HB3' ' N ' ' B' ' 26' ' ' LEU . 31.4 t -71.32 110.69 6.1 Favored 'General case' 0 C--O 1.249 1.068 0 N-CA-C 108.063 -1.088 . . . . 74.21 108.063 176.78 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 22' ' ' HIS . . . . . 0.442 ' C ' ' H ' ' B' ' 24' ' ' GLN . 45.2 t60 -54.17 -20.74 7.29 Favored 'General case' 0 C--N 1.35 0.625 0 O-C-N 126.646 2.466 . . . . 73.12 112.247 -172.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -80.13 17.64 0.98 Allowed 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.509 -0.552 . . . . 63.54 109.509 176.731 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 24' ' ' GLN . . . . . 0.442 ' H ' ' C ' ' B' ' 22' ' ' HIS . 28.4 mm-40 63.13 21.92 13.12 Favored 'General case' 0 CA--C 1.519 -0.227 0 CA-C-N 115.291 -0.868 . . . . 71.43 109.935 178.87 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 32.5 mmtp -90.11 -26.8 20.03 Favored 'General case' 0 N--CA 1.45 -0.475 0 CA-C-N 115.061 -0.972 . . . . 41.25 111.074 -178.265 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 26' ' ' LEU . . . . . 0.588 ' N ' ' HB3' ' B' ' 21' ' ' SER . 55.2 tp -142.09 145.02 33.83 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 119.403 -0.919 . . . . 71.52 111.918 -176.318 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -156.48 100.32 1.95 Allowed 'General case' 0 CA--C 1.535 0.39 0 O-C-N 124.279 0.987 . . . . 53.33 110.098 177.481 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 3.2 m -148.66 178.16 0.81 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.503 0 CA-C-N 115.478 -0.783 . . . . 74.12 111.23 177.071 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 18.0 ttpt -139.03 141.48 38.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.552 -0.749 . . . . 64.31 110.126 -179.114 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 30' ' ' LEU . . . . . 0.562 ' N ' HD13 ' B' ' 30' ' ' LEU . 0.0 OUTLIER -132.67 173.82 10.95 Favored 'General case' 0 C--O 1.251 1.144 0 CA-C-O 120.65 0.262 . . . . 72.32 111.125 177.519 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 31' ' ' SER . . . . . 0.541 ' HA ' ' HB3' ' B' ' 16' ' ' ASP . 56.7 p -167.77 135.33 2.29 Favored 'General case' 0 N--CA 1.456 -0.17 0 CA-C-N 115.77 -0.65 . . . . 62.35 111.959 -178.886 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -75.21 131.35 78.41 Favored Pre-proline 0 C--O 1.241 0.641 0 CA-C-N 115.95 -0.568 . . . . 75.13 110.324 174.333 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 33' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -54.66 134.93 64.97 Favored 'Trans proline' 0 C--N 1.349 0.59 0 C-N-CA 123.015 2.477 . . . . 71.3 112.761 -179.127 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.99 -15.96 58.04 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 116.092 -0.504 . . . . 71.43 111.001 178.017 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -49.82 -33.33 16.41 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 115.895 -0.593 . . . . 72.42 111.504 179.428 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 16.9 mt -106.45 11.67 30.52 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.6 -0.727 . . . . 63.52 110.913 -173.911 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 85.05 31.65 22.64 Favored Glycine 0 C--N 1.331 0.301 0 CA-C-N 115.828 -0.624 . . . . 51.22 111.762 -175.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -87.91 -133.06 4.06 Favored Glycine 0 C--N 1.334 0.471 0 C-N-CA 121.327 -0.463 . . . . 64.12 112.134 -177.454 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -102.61 -42.45 5.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.741 0.305 . . . . 71.25 111.111 -176.549 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 78.24 95.09 0.25 Allowed Glycine 0 N--CA 1.446 -0.683 0 C-N-CA 120.73 -0.748 . . . . 53.13 111.493 -179.278 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 41' ' ' ALA . . . . . 0.424 ' HB3' ' CB ' ' B' ' 31' ' ' SER . . . -159.17 -170.35 2.96 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.893 0.378 . . . . 45.11 111.943 -177.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -91.75 5.97 47.79 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 115.295 -0.866 . . . . 74.14 111.761 -174.272 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -80.92 -168.46 39.59 Favored Glycine 0 CA--C 1.517 0.203 0 C-N-CA 120.894 -0.669 . . . . 72.12 113.057 -173.069 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 44' ' ' THR . . . . . 0.551 ' H ' ' HA ' ' B' ' 30' ' ' LEU . 6.7 t -108.28 166.88 10.42 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.331 -0.618 . . . . 35.03 109.331 178.725 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 45' ' ' ASN . . . . . 0.699 ' HB2' ' HB3' ' B' ' 48' ' ' GLN . 2.7 m-20 -78.08 138.84 60.74 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 120.446 0.165 . . . . 71.14 111.219 -175.295 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 46' ' ' PRO . . . . . 0.639 ' HB3' ' SG ' ' A' ' 57' ' ' CYS . 26.0 Cg_exo -63.67 -52.31 1.92 Allowed 'Trans proline' 0 C--O 1.241 0.629 0 C-N-CA 123.079 2.519 . . . . 54.41 112.613 179.146 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 47' ' ' GLU . . . . . 0.427 ' OE2' ' HB3' ' B' ' 45' ' ' ASN . 3.3 pm0 -66.8 -33.46 75.67 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 121.085 0.469 . . . . 73.03 109.869 -178.054 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 48' ' ' GLN . . . . . 0.699 ' HB3' ' HB2' ' B' ' 45' ' ' ASN . 0.7 OUTLIER -64.78 -35.83 82.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.61 -0.723 . . . . 65.22 110.315 173.555 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -65.08 -51.09 63.43 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-N 116.034 -0.53 . . . . 73.15 109.664 179.278 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 75.1 t80 -59.92 -46.72 88.47 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 116.51 -0.313 . . . . 74.53 110.333 177.234 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 51' ' ' ALA . . . . . 0.544 ' HB1' ' HB1' ' B' ' 81' ' ' ALA . . . -56.45 -53.45 57.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.232 -0.44 . . . . 63.22 111.393 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 52' ' ' ALA . . . . . 0.696 ' HB1' ' HB1' ' A' ' 19' ' ' ALA . . . -61.65 -48.46 80.74 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 116.313 -0.403 . . . . 74.31 110.737 -177.893 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -61.42 -44.1 98.47 Favored Glycine 0 C--N 1.331 0.273 0 CA-C-N 115.877 -0.601 . . . . 73.22 112.198 -179.638 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -68.59 -36.2 78.39 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 122.496 0.318 . . . . 73.14 110.741 -179.335 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 55' ' ' SER . . . . . 0.541 ' OG ' ' HB2' ' B' ' 81' ' ' ALA . 66.3 m -66.93 -44.47 80.6 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.757 0.313 . . . . 71.55 110.626 179.768 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 56' ' ' ALA . . . . . 0.473 ' HB1' HD21 ' A' ' 30' ' ' LEU . . . -67.59 -41.77 83.55 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.164 0.507 . . . . 72.32 109.914 175.618 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 57' ' ' CYS . . . . . . . . . . . . . 41.2 t -59.64 -36.17 75.84 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.418 -0.81 . . . . 72.4 110.504 177.892 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 28.1 t80 -57.03 -34.7 68.47 Favored 'General case' 0 CA--C 1.529 0.148 0 CA-C-N 116.004 -0.544 . . . . 52.32 110.204 -177.654 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -68.06 -47.87 67.16 Favored 'General case' 0 CA--C 1.53 0.176 0 N-CA-C 109.319 -0.623 . . . . 64.41 109.319 177.63 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 15.1 m -56.31 -51.28 68.79 Favored 'General case' 0 C--O 1.243 0.763 0 CA-C-N 116.107 -0.497 . . . . 73.23 110.694 178.92 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 61' ' ' ALA . . . . . 0.536 ' HB1' ' SG ' ' B' ' 122' ' ' CYS . . . -58.84 -50.59 73.43 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.441 -0.799 . . . . 44.1 110.39 179.435 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 62' ' ' MET . . . . . 0.412 ' SD ' ' HB1' ' B' ' 118' ' ' ALA . 10.4 mtp -66.67 -23.11 66.1 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.458 -0.337 . . . . 71.0 111.318 179.477 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 63' ' ' LYS . . . . . 0.529 ' HZ3' ' HB3' ' B' ' 63' ' ' LYS . 6.3 ttpm? -67.57 -47.68 69.08 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 108.878 -0.786 . . . . 72.03 108.878 175.883 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 77.9 t80 -60.51 -48.46 81.65 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 115.454 -0.794 . . . . 73.11 110.101 175.191 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 44.0 t -57.35 -47.9 83.66 Favored 'Isoleucine or valine' 0 C--O 1.233 0.192 0 CA-C-N 115.629 -0.714 . . . . 75.05 111.304 179.461 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -58.15 -33.17 68.9 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.125 -0.489 . . . . 74.13 110.531 179.719 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -70.1 -28.71 71.26 Favored Glycine 0 N--CA 1.449 -0.439 0 CA-C-N 115.506 -0.77 . . . . 75.04 112.157 -176.483 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -98.9 -14.49 19.55 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.068 0.461 . . . . 64.5 110.313 179.203 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 7.4 m-80 -92.08 2.42 56.59 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 115.833 -0.621 . . . . 65.21 111.002 177.324 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 2.5 mptp? 64.15 25.3 13.66 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 115.788 -0.642 . . . . 73.12 111.518 175.753 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -119.87 165.67 14.3 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.743 -0.662 . . . . 74.24 110.273 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 19.4 p -125.24 139.54 53.64 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.385 -0.371 . . . . 74.12 110.582 179.389 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 73' ' ' LEU . . . . . 0.485 ' HA ' ' HD3' ' B' ' 74' ' ' PRO . 96.6 mt -109.46 139.34 21.03 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.271 -0.422 . . . . 75.15 110.493 179.202 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 74' ' ' PRO . . . . . 0.485 ' HD3' ' HA ' ' B' ' 73' ' ' LEU . 19.5 Cg_exo -67.42 129.67 20.72 Favored 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 122.941 2.427 . . . . 62.01 112.045 179.702 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -77.08 -12.24 59.91 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-O 121.014 0.435 . . . . 71.53 111.061 178.595 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -81.4 2.64 27.61 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-O 121.539 0.685 . . . . 60.22 111.093 -179.75 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 77' ' ' THR . . . . . 0.449 ' HA ' ' HD3' ' B' ' 104' ' ' PRO . 9.7 t -70.86 164.93 24.31 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.777 -0.647 . . . . 73.25 112.054 -175.937 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 28.2 m -145.65 149.38 34.38 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.49 -0.777 . . . . 71.23 109.746 176.646 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 57.4 t -128.42 151.95 35.9 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 N-CA-C 108.305 -0.998 . . . . 54.24 108.305 177.248 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 26.3 m -136.27 112.03 9.45 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.795 0.331 . . . . 72.42 110.619 176.596 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 81' ' ' ALA . . . . . 0.544 ' HB1' ' HB1' ' B' ' 51' ' ' ALA . . . -93.44 104.79 16.91 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.061 -0.518 . . . . 73.43 110.027 177.334 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -101.66 107.55 18.82 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.248 -0.649 . . . . 71.23 109.248 178.663 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 83' ' ' VAL . . . . . 0.464 HG12 ' HB ' ' B' ' 97' ' ' VAL . 18.3 m -102.85 136.78 33.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 120.979 0.419 . . . . 71.44 111.039 -176.729 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 84' ' ' GLY . . . . . . . . . . . . . . . -134.52 151.52 20.37 Favored Glycine 0 N--CA 1.44 -1.053 0 N-CA-C 110.894 -0.882 . . . . 52.45 110.894 175.603 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -131.9 129.66 60.92 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.815 0 N-CA-C 108.996 -0.742 . . . . 73.1 108.996 -179.439 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 86' ' ' GLY . . . . . 0.425 ' HA2' ' HG ' ' A' ' 4' ' ' LEU . . . -150.54 169.71 30.43 Favored Glycine 0 C--N 1.329 0.147 0 O-C-N 124.239 0.962 . . . . 52.3 111.152 -178.485 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 87' ' ' PRO . . . . . 0.614 ' HD3' ' HG ' ' A' ' 4' ' ' LEU . 92.5 Cg_endo -81.61 141.74 12.52 Favored 'Trans proline' 0 N--CA 1.458 -0.583 0 C-N-CA 122.388 2.059 . . . . 61.3 112.095 -177.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 88' ' ' ASN . . . . . . . . . . . . . 32.9 p30 -95.24 168.19 10.89 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.883 -0.598 . . . . 72.3 109.889 177.411 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -63.86 -17.43 63.15 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.426 -0.352 . . . . 65.22 111.653 -178.114 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -75.4 -24.48 57.18 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 121.14 0.495 . . . . 74.05 110.485 177.44 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.41 8.3 38.32 Favored Glycine 0 C--O 1.237 0.297 0 CA-C-N 115.935 -0.575 . . . . 72.2 112.506 178.79 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . -105.09 -166.95 24.03 Favored Glycine 0 N--CA 1.451 -0.337 0 N-CA-C 110.904 -0.879 . . . . 70.13 110.904 176.437 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 93' ' ' PHE . . . . . 0.408 ' HE1' ' CZ ' ' A' ' 64' ' ' PHE . 40.9 m-85 -98.04 149.61 22.29 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.027 0.441 . . . . 73.12 110.555 179.31 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -135.84 132.66 36.92 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.538 -0.755 . . . . 62.21 109.651 -178.846 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -101.9 118.37 36.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.986 -0.552 . . . . 74.21 110.649 -178.517 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 96' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -110.21 110.27 21.05 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.395 -0.82 . . . . 73.53 109.123 176.477 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 97' ' ' VAL . . . . . 0.493 HG13 ' HA ' ' B' ' 134' ' ' VAL . 1.5 p -112.34 110.82 33.62 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-O 121.572 0.701 . . . . 65.34 110.178 179.23 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -93.53 108.0 19.76 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.261 -0.881 . . . . 74.42 109.112 -178.743 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 22.4 tp -98.22 112.46 24.43 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.793 -0.639 . . . . 61.12 110.338 -173.132 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 100' ' ' ARG . . . . . 0.532 ' HA ' HG13 ' B' ' 137' ' ' VAL . 65.7 ttt180 -99.24 121.71 41.42 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.184 -0.462 . . . . 64.11 110.513 -176.741 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 101' ' ' VAL . . . . . . . . . . . . . 91.3 t -105.1 101.74 12.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.824 -0.626 . . . . 60.12 110.715 -177.409 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 102' ' ' ALA . . . . . 0.494 ' HA ' ' HB3' ' B' ' 139' ' ' ALA . . . -96.32 101.16 12.76 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.909 0.385 . . . . 53.32 110.017 177.371 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 103' ' ' LEU . . . . . 0.446 ' HB2' HD23 ' B' ' 106' ' ' LEU . 19.5 mt -111.02 118.75 47.44 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 115.92 -0.582 . . . . 72.24 109.715 179.764 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 104' ' ' PRO . . . . . 0.449 ' HD3' ' HA ' ' B' ' 77' ' ' THR . 57.7 Cg_endo -71.21 146.16 50.68 Favored 'Trans proline' 0 N--CA 1.461 -0.397 0 C-N-CA 122.497 2.132 . . . . 74.24 112.449 -177.496 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 105' ' ' GLY . . . . . . . . . . . . . . . 69.66 15.0 70.58 Favored Glycine 0 CA--C 1.521 0.429 0 CA-C-N 115.045 -0.979 . . . . 72.34 112.667 -179.019 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 106' ' ' LEU . . . . . 0.446 HD23 ' HB2' ' B' ' 103' ' ' LEU . 31.9 tp -123.36 135.82 54.35 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.264 0.554 . . . . 60.53 111.353 -177.599 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -76.44 148.54 37.2 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.092 -0.958 . . . . 63.12 110.643 177.801 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 108' ' ' ALA . . . . . 0.461 ' O ' ' HG3' ' B' ' 112' ' ' LYS . . . -64.46 -40.73 96.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.487 -0.324 . . . . 34.32 110.573 178.524 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -55.64 -50.52 69.97 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 115.933 -0.576 . . . . 64.51 110.808 179.647 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 110' ' ' ALA . . . . . 0.498 ' O ' HG22 ' B' ' 113' ' ' THR . . . -68.81 -41.99 77.89 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-O 121.127 0.489 . . . . 72.03 110.367 178.524 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 111' ' ' ALA . . . . . 0.403 ' O ' HG23 ' B' ' 115' ' ' VAL . . . -55.62 -35.86 66.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.741 -0.663 . . . . 64.14 111.173 -178.612 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 112' ' ' LYS . . . . . 0.461 ' HG3' ' O ' ' B' ' 108' ' ' ALA . 55.9 mtpt -54.07 -43.53 70.37 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 116.331 -0.395 . . . . 74.45 111.438 178.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 113' ' ' THR . . . . . 0.498 HG22 ' O ' ' B' ' 110' ' ' ALA . 1.5 t -81.64 -34.71 30.67 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.872 0.367 . . . . 72.03 110.251 -178.883 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 114' ' ' LEU . . . . . 0.466 ' HG ' ' O ' ' B' ' 110' ' ' ALA . 39.4 mt -63.27 -42.53 99.14 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-N 116.207 -0.451 . . . . 70.23 110.931 -179.57 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 115' ' ' VAL . . . . . 0.495 HG21 HG12 ' B' ' 138' ' ' VAL . 85.4 t -70.08 -32.68 52.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.378 -0.374 . . . . 63.55 110.332 178.445 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -61.06 -61.08 2.83 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 121.144 0.497 . . . . 75.43 110.013 177.417 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 117' ' ' ARG . . . . . 0.463 ' HG2' ' O ' ' B' ' 113' ' ' THR . 7.8 ptm180 -59.41 -43.66 92.96 Favored 'General case' 0 C--O 1.224 -0.253 0 CA-C-N 115.456 -0.793 . . . . 70.2 110.8 -178.916 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 118' ' ' ALA . . . . . 0.412 ' HB1' ' SD ' ' B' ' 62' ' ' MET . . . -58.8 -54.0 52.04 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-O 120.948 0.404 . . . . 61.11 111.24 -179.87 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 119' ' ' HIS . . . . . 0.518 ' NE2' HG23 ' B' ' 128' ' ' THR . 33.4 t60 -71.46 -0.85 11.37 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 116.016 -0.538 . . . . 74.31 110.895 -177.181 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 24.9 t60 -108.4 -40.01 5.27 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 116.209 -0.45 . . . . 61.52 111.71 178.235 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 35.0 m -80.03 -36.31 16.72 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.313 0 N-CA-C 111.394 0.146 . . . . 63.42 111.394 -174.381 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 122' ' ' CYS . . . . . 0.536 ' SG ' ' HB1' ' B' ' 61' ' ' ALA . 52.4 t -140.51 67.5 30.63 Favored Pre-proline 0 C--O 1.234 0.288 0 CA-C-O 121.003 0.43 . . . . 74.53 111.474 -178.42 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 123' ' ' PRO . . . . . . . . . . . . . 68.7 Cg_endo -91.45 155.24 3.64 Favored 'Trans proline' 0 N--CA 1.452 -0.942 0 C-N-CA 122.786 2.324 . . . . 65.25 110.792 171.246 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 124' ' ' TYR . . . . . 0.48 ' HE1' ' CG ' ' A' ' 50' ' ' PHE . 5.0 t80 . . . . . 0 CA--C 1.532 0.258 0 CA-C-O 121.357 0.598 . . . . 65.35 109.548 178.504 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 128' ' ' THR . . . . . 0.518 HG23 ' NE2' ' B' ' 119' ' ' HIS . 6.2 t . . . . . 0 CA--C 1.508 -0.639 0 N-CA-C 108.189 -1.041 . . . . 55.14 108.189 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 129' ' ' ARG . . . . . 0.431 HH11 ' HD2' ' B' ' 129' ' ' ARG . 13.2 ptt180 -128.61 -58.15 1.18 Allowed 'General case' 0 N--CA 1.435 -1.199 0 CA-C-N 115.127 -0.942 . . . . 75.21 111.961 178.109 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 130' ' ' ASN . . . . . . . . . . . . . 2.8 p30 -78.75 -33.15 46.75 Favored 'General case' 0 CA--C 1.512 -0.505 0 CA-C-O 122.176 0.989 . . . . 74.14 112.347 -176.342 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 131' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -90.41 -44.16 9.82 Favored 'General case' 0 C--N 1.302 -1.47 0 CA-C-N 113.981 -1.463 . . . . 75.43 111.292 -176.628 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 132' ' ' VAL . . . . . . . . . . . . . 48.0 t -108.07 121.08 60.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.886 -0.597 . . . . 52.13 109.494 -174.565 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 133' ' ' ALA . . . . . 0.403 ' HB1' ' NH2' ' B' ' 135' ' ' ARG . . . -69.4 88.71 0.48 Allowed 'General case' 0 C--O 1.237 0.404 0 CA-C-O 121.503 0.668 . . . . 72.23 111.691 -174.501 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 134' ' ' VAL . . . . . 0.493 ' HA ' HG13 ' B' ' 97' ' ' VAL . 21.9 t -104.8 104.07 16.3 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.668 0 CA-C-N 115.028 -0.987 . . . . 61.1 109.82 174.467 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 135' ' ' ARG . . . . . 0.403 ' NH2' ' HB1' ' B' ' 133' ' ' ALA . 6.3 tpp180 -74.17 101.31 3.92 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.702 -0.681 . . . . 74.32 109.248 -178.836 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 72.6 mt -76.62 121.62 23.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.017 0.437 . . . . 72.41 111.23 -177.323 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 137' ' ' VAL . . . . . 0.532 HG13 ' HA ' ' B' ' 100' ' ' ARG . 0.2 OUTLIER -130.94 129.63 63.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.441 -0.799 . . . . 72.22 109.598 179.369 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 138' ' ' VAL . . . . . 0.495 HG12 HG21 ' B' ' 115' ' ' VAL . 4.1 m -103.77 138.39 28.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 121.455 0.645 . . . . 70.52 110.529 -177.088 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 139' ' ' ALA . . . . . 0.494 ' HB3' ' HA ' ' B' ' 102' ' ' ALA . . . . . . . . 0 C--O 1.247 0.946 0 CA-C-N 115.192 -0.913 . . . . 71.35 110.294 -176.107 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.446 ' HE3' HD13 ' A' ' 3' ' ' ILE . 14.6 ptt? . . . . . 0 N--CA 1.484 1.234 0 CA-C-O 120.732 0.301 . . . . 71.43 110.703 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 46.5 t30 -73.5 76.96 1.44 Allowed 'General case' 0 CA--C 1.53 0.201 0 CA-C-O 121.351 0.596 . . . . 75.52 110.694 178.111 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.543 HG21 ' HB2' ' A' ' 6' ' ' LYS . 40.5 mm -73.95 130.61 35.82 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-N 115.769 -0.65 . . . . 51.02 112.154 177.139 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.633 ' HG ' ' HD3' ' B' ' 87' ' ' PRO . 90.5 mt -82.53 -50.14 9.13 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.252 -0.885 . . . . 74.21 109.962 174.357 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 27.4 t80 -136.49 132.02 34.75 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.016 -0.538 . . . . 54.43 109.645 -178.817 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.543 ' HB2' HG21 ' A' ' 3' ' ' ILE . 32.3 ttmt -131.92 146.54 52.17 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.999 0.428 . . . . 62.42 111.081 178.908 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.465 HG21 ' HB2' ' B' ' 48' ' ' GLN . 10.3 t -147.01 -179.51 6.86 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.363 -0.835 . . . . 73.02 108.91 172.077 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.406 ' O ' ' ND1' ' A' ' 22' ' ' HIS . . . -151.62 161.73 42.18 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.927 0.394 . . . . 64.34 110.661 -176.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -141.52 153.98 45.22 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.001 -0.545 . . . . 65.14 109.716 176.067 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 87.0 m -122.43 109.94 15.01 Favored 'General case' 0 N--CA 1.437 -1.098 0 N-CA-C 109.007 -0.738 . . . . 73.43 109.007 -172.457 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.537 ' HA ' ' O ' ' A' ' 18' ' ' ARG . 70.0 m -109.39 113.15 25.72 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 115.504 -0.771 . . . . 71.32 110.216 -179.209 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 4.0 m -95.47 157.27 15.97 Favored 'General case' 0 C--O 1.239 0.507 0 CA-C-N 115.692 -0.685 . . . . 72.12 110.829 -177.633 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -86.23 75.79 2.21 Favored Glycine 0 N--CA 1.447 -0.572 0 CA-C-N 115.815 -0.63 . . . . 62.44 111.586 175.38 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -65.88 -107.48 0.01 OUTLIER Glycine 0 C--N 1.332 0.356 0 C-N-CA 121.269 -0.491 . . . . 62.02 112.054 177.26 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.436 ' HD3' ' HA ' ' A' ' 15' ' ' ARG . 33.4 mmt180 -88.79 -51.73 5.49 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.86 -0.422 . . . . 73.04 109.86 174.251 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.553 ' HB3' ' HA ' ' A' ' 31' ' ' SER . 20.8 t70 -125.89 -42.48 1.9 Allowed 'General case' 0 N--CA 1.464 0.234 0 N-CA-C 109.831 -0.433 . . . . 74.22 109.831 171.754 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.415 ' O ' ' HG3' ' A' ' 29' ' ' LYS . . . -164.95 153.6 23.89 Favored Glycine 0 C--N 1.338 0.684 0 C-N-CA 120.284 -0.96 . . . . 73.12 111.961 165.846 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.546 ' HA ' ' HA ' ' A' ' 29' ' ' LYS . 0.8 OUTLIER -139.16 110.1 6.78 Favored 'General case' 0 C--O 1.221 -0.414 0 N-CA-C 109.48 -0.563 . . . . 73.24 109.48 178.848 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -109.61 124.13 50.63 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 120.708 0.29 . . . . 71.12 111.14 -174.458 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.487 HG23 ' O ' ' A' ' 26' ' ' LEU . 88.9 m -131.69 116.81 17.8 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.22 -0.446 . . . . 63.53 110.658 -179.118 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.533 ' CB ' ' HB3' ' A' ' 26' ' ' LEU . 28.3 t -69.35 115.06 8.19 Favored 'General case' 0 C--O 1.251 1.157 0 N-CA-C 107.707 -1.22 . . . . 62.3 107.707 176.247 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.413 ' C ' ' H ' ' A' ' 24' ' ' GLN . 3.4 p-80 -55.29 -27.19 45.05 Favored 'General case' 0 N--CA 1.472 0.673 0 O-C-N 126.459 2.349 . . . . 71.44 112.94 -162.083 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -80.45 14.97 1.79 Allowed 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.456 0.646 . . . . 73.43 109.676 -179.05 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.413 ' H ' ' C ' ' A' ' 22' ' ' HIS . 33.4 mm-40 71.41 17.27 5.84 Favored 'General case' 0 CA--C 1.514 -0.436 0 CA-C-N 114.397 -1.274 . . . . 72.53 110.347 173.342 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.446 ' NZ ' ' OD1' ' B' ' 45' ' ' ASN . 47.2 mtmt -89.0 -16.18 32.33 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 115.63 -0.714 . . . . 73.44 110.967 179.369 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.533 ' HB3' ' CB ' ' A' ' 21' ' ' SER . 62.2 tp -143.15 142.37 31.45 Favored 'General case' 0 C--O 1.218 -0.6 0 C-N-CA 119.232 -0.987 . . . . 74.42 110.578 174.047 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -155.65 97.43 1.85 Allowed 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.22 -0.659 . . . . 74.13 109.22 175.183 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 3.6 m -141.49 177.91 3.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 121.376 0.607 . . . . 62.12 111.482 179.367 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.546 ' HA ' ' HA ' ' A' ' 18' ' ' ARG . 17.2 ttmt -138.02 139.5 39.65 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 114.895 -1.048 . . . . 62.42 109.602 179.811 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.566 ' N ' HD13 ' A' ' 30' ' ' LEU . 0.0 OUTLIER -123.44 161.24 25.19 Favored 'General case' 0 C--O 1.251 1.182 0 CA-C-O 121.397 0.618 . . . . 64.12 110.812 179.196 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.553 ' HA ' ' HB3' ' A' ' 16' ' ' ASP . 56.1 m -157.88 119.13 3.54 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 114.518 -1.219 . . . . 75.34 109.414 -176.194 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.27 135.62 96.32 Favored Pre-proline 0 C--N 1.323 -0.548 0 CA-C-N 116.06 -0.518 . . . . 52.21 110.242 -179.547 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_exo -51.55 128.98 27.82 Favored 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 122.244 1.962 . . . . 73.33 111.206 176.546 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.415 ' HB2' ' N ' ' A' ' 40' ' ' GLY . 25.0 tpt180 -66.06 -12.94 58.82 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.941 -0.392 . . . . 50.12 109.941 -177.718 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.421 ' HB3' HD22 ' A' ' 36' ' ' LEU . 11.4 tp10 -51.55 -39.86 58.59 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-N 115.718 -0.674 . . . . 75.14 110.38 173.487 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.461 HD22 ' N ' ' A' ' 36' ' ' LEU . 1.6 mm? -97.57 12.51 33.25 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 116.129 -0.487 . . . . 63.44 110.416 -179.239 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.52 23.81 38.46 Favored Glycine 0 CA--C 1.518 0.235 0 C-N-CA 121.222 -0.513 . . . . 72.22 112.329 -177.479 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -79.52 -126.86 0.57 Allowed Glycine 0 C--N 1.334 0.431 0 C-N-CA 121.32 -0.467 . . . . 73.44 112.067 179.521 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -121.3 -13.74 8.42 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.796 0.298 . . . . 63.22 111.768 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.415 ' N ' ' HB2' ' A' ' 34' ' ' ARG . . . 50.5 35.06 28.4 Favored Glycine 0 CA--C 1.524 0.615 0 C-N-CA 121.468 -0.396 . . . . 45.53 113.449 -176.809 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -99.45 -170.48 1.91 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.907 0.384 . . . . 44.21 111.248 -177.435 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -91.8 83.36 5.25 Favored 'General case' 0 CA--C 1.51 -0.581 0 CA-C-O 122.101 0.953 . . . . 71.23 110.648 -178.059 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -155.88 -162.81 11.64 Favored Glycine 0 C--N 1.306 -1.1 0 CA-C-N 113.709 -1.587 . . . . 55.55 111.516 174.907 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.457 HG22 ' HB3' ' A' ' 30' ' ' LEU . 9.0 t -113.44 179.05 4.07 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.81 -0.441 . . . . 74.01 109.81 175.839 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -104.56 129.1 25.59 Favored Pre-proline 0 C--N 1.33 -0.261 0 N-CA-C 109.475 -0.565 . . . . 72.33 109.475 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.47 ' HB3' ' HB2' ' B' ' 57' ' ' CYS . 88.5 Cg_exo -48.01 -45.49 24.94 Favored 'Trans proline' 0 CA--C 1.535 0.555 0 C-N-CA 123.134 2.556 . . . . 63.04 113.593 -174.724 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.9 mp0 -66.02 -35.83 81.61 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 121.024 0.44 . . . . 62.13 110.343 -177.134 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 13.2 tt0 -67.08 -40.83 87.07 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.809 -0.632 . . . . 72.35 109.535 176.841 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -58.52 -50.48 73.6 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 115.467 -0.788 . . . . 71.11 109.844 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.455 ' CZ ' ' HE1' ' B' ' 124' ' ' TYR . 58.9 t80 -59.72 -52.34 65.9 Favored 'General case' 0 N--CA 1.462 0.142 0 CA-C-N 116.333 -0.394 . . . . 64.45 110.63 177.821 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.639 ' HB1' ' HB1' ' A' ' 81' ' ' ALA . . . -51.7 -50.86 59.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.893 -0.594 . . . . 52.03 111.596 -179.627 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.76 -47.39 86.55 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-O 120.946 0.403 . . . . 51.43 110.685 -179.609 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -62.61 -44.0 98.18 Favored Glycine 0 N--CA 1.451 -0.357 0 CA-C-N 115.714 -0.675 . . . . 45.35 112.594 -178.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -71.14 -36.26 72.02 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 122.172 0.189 . . . . 71.4 110.544 -178.272 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.537 ' OG ' ' HB2' ' A' ' 81' ' ' ALA . 67.7 m -65.95 -45.31 82.25 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.607 0.241 . . . . 50.31 110.42 178.688 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.407 ' HB2' ' HB2' ' B' ' 11' ' ' SER . . . -64.34 -43.66 93.9 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-O 121.372 0.606 . . . . 72.41 109.895 175.324 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 51.5 t -57.62 -36.28 71.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.196 -0.911 . . . . 74.4 110.644 176.873 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 12.0 t80 -55.18 -37.98 67.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.015 -0.539 . . . . 64.12 110.524 -177.778 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -73.37 -32.6 64.59 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.246 -0.434 . . . . 74.12 110.626 178.27 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.47 ' O ' ' HB3' ' A' ' 63' ' ' LYS . 29.9 t -67.6 -43.58 80.13 Favored 'General case' 0 C--O 1.236 0.369 0 N-CA-C 109.503 -0.554 . . . . 74.4 109.503 177.071 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.412 ' HB1' ' SG ' ' A' ' 122' ' ' CYS . . . -60.4 -47.88 84.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.717 -0.674 . . . . 64.15 110.089 175.936 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 83.5 mmm -64.88 -26.68 68.43 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 115.963 -0.562 . . . . 61.32 110.919 177.299 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.516 ' HE3' ' HA ' ' B' ' 16' ' ' ASP . 19.0 ttmm -64.54 -49.36 71.55 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.156 -0.683 . . . . 62.32 109.156 175.654 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 76.3 t80 -65.3 -43.53 90.84 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 115.257 -0.883 . . . . 70.35 110.51 178.271 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 42.0 t -57.9 -49.59 80.61 Favored 'Isoleucine or valine' 0 C--O 1.233 0.192 0 CA-C-N 116.074 -0.512 . . . . 51.41 110.566 177.818 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -57.44 -33.82 68.33 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.132 -0.485 . . . . 55.45 110.244 178.738 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -66.53 -33.2 83.9 Favored Glycine 0 CA--C 1.518 0.238 0 CA-C-N 115.36 -0.837 . . . . 65.01 112.327 -178.171 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 8.0 pt20 -94.56 -16.18 23.48 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 121.256 0.55 . . . . 73.33 109.806 -179.73 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 11.1 m-80 -93.18 4.68 53.59 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.393 -0.821 . . . . 73.35 110.817 178.113 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.7 mptp? 57.19 34.54 24.96 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-O 121.36 0.6 . . . . 70.5 111.213 174.115 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -130.77 164.14 25.79 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.323 -0.853 . . . . 65.11 110.161 -179.755 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 24.8 p -127.9 136.97 52.11 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.261 -0.427 . . . . 71.13 110.11 177.166 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -109.42 142.98 26.83 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.403 -0.362 . . . . 63.13 110.5 -179.769 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.499 ' O ' HG22 ' A' ' 77' ' ' THR . 76.9 Cg_exo -53.51 132.91 51.17 Favored 'Trans proline' 0 C--N 1.349 0.598 0 C-N-CA 123.122 2.548 . . . . 75.32 112.778 179.024 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -76.99 1.83 16.63 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 121.311 0.577 . . . . 74.43 111.195 177.83 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -90.5 0.73 57.21 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.528 -0.76 . . . . 72.44 111.09 -178.833 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.545 ' OG1' HD22 ' A' ' 103' ' ' LEU . 4.3 t -72.96 152.42 41.39 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.451 -0.795 . . . . 73.42 110.799 -179.067 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 33.7 m -150.25 149.32 30.0 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.916 -0.584 . . . . 65.01 110.074 179.356 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.493 HG22 ' HA ' ' A' ' 101' ' ' VAL . 87.1 t -130.65 123.79 55.54 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 115.902 -0.59 . . . . 73.54 109.492 176.685 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 87.9 m -104.43 115.21 29.97 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.289 -0.414 . . . . 61.0 110.32 -179.466 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.639 ' HB1' ' HB1' ' A' ' 51' ' ' ALA . . . -93.45 113.97 26.25 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.843 -0.617 . . . . 75.0 110.074 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.435 ' HG2' ' HD3' ' B' ' 6' ' ' LYS . 23.0 tt0 -114.86 107.74 15.81 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.241 -0.651 . . . . 74.0 109.241 -176.409 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 54.9 t -100.17 126.63 53.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.502 -0.772 . . . . 74.25 111.443 -171.799 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.456 ' HA2' ' HA ' ' B' ' 6' ' ' LYS . . . -123.9 157.72 18.35 Favored Glycine 0 N--CA 1.442 -0.906 0 N-CA-C 111.723 -0.551 . . . . 64.22 111.723 177.43 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.514 HD11 ' CD2' ' A' ' 93' ' ' PHE . 0.0 OUTLIER -142.59 130.63 20.27 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.787 0 N-CA-C 109.238 -0.653 . . . . 71.32 109.238 179.519 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 86' ' ' GLY . . . . . 0.555 ' HA2' ' HG ' ' B' ' 4' ' ' LEU . . . -139.96 169.91 24.5 Favored Glycine 0 CA--C 1.518 0.271 0 O-C-N 124.229 0.955 . . . . 64.2 111.336 179.679 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.744 ' HD3' ' HG ' ' B' ' 4' ' ' LEU . 85.2 Cg_endo -87.62 141.75 5.66 Favored 'Trans proline' 0 N--CA 1.456 -0.681 0 C-N-CA 122.527 2.152 . . . . 75.13 112.39 -175.76 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 22.2 t-20 -103.35 146.27 28.72 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.732 -0.667 . . . . 63.43 109.39 177.465 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -60.79 -16.01 35.98 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 116.414 -0.357 . . . . 74.31 111.867 -177.06 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -67.57 -24.37 65.51 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 121.069 0.461 . . . . 62.35 110.716 178.133 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.16 34.93 3.54 Favored Glycine 0 N--CA 1.453 -0.198 0 CA-C-N 116.006 -0.543 . . . . 52.42 111.89 -178.034 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -146.8 -171.95 16.59 Favored Glycine 0 N--CA 1.449 -0.45 0 N-CA-C 110.93 -0.868 . . . . 74.12 110.93 178.317 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.514 ' CD2' HD11 ' A' ' 85' ' ' ILE . 47.0 m-85 -97.93 151.73 19.97 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.033 0.444 . . . . 72.25 110.451 179.715 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -132.84 127.83 35.35 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.429 -0.805 . . . . 73.43 109.085 -178.253 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -98.24 139.96 33.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.165 0.507 . . . . 75.45 111.43 -174.191 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -125.42 110.26 13.72 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 114.712 -1.131 . . . . 62.1 108.392 175.744 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 60.6 t -111.81 110.42 32.12 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.057 0 C-N-CA 120.904 -0.318 . . . . 41.42 110.81 -176.096 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.63 ' HG2' ' HD3' ' A' ' 135' ' ' ARG . 45.0 mt-10 -90.38 123.69 34.32 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.21 -0.45 . . . . 51.52 110.307 -178.867 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 75.0 mt -107.93 107.16 17.75 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 108.976 -0.75 . . . . 73.33 108.976 173.553 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.484 ' O ' ' HA ' ' A' ' 79' ' ' VAL . 90.3 mtt-85 -99.05 105.55 17.69 Favored 'General case' 0 CA--C 1.513 -0.478 0 N-CA-C 109.506 -0.553 . . . . 73.43 109.506 -175.877 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.493 ' HA ' HG22 ' A' ' 79' ' ' VAL . 47.1 t -100.2 106.37 19.11 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 CA-C-N 115.34 -0.845 . . . . 72.23 111.122 -171.235 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.525 ' HA ' ' HB3' ' A' ' 139' ' ' ALA . . . -103.16 101.33 11.28 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.934 0.397 . . . . 73.1 109.949 175.666 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.545 HD22 ' OG1' ' A' ' 77' ' ' THR . 0.5 OUTLIER -109.07 114.13 58.43 Favored Pre-proline 0 C--N 1.328 -0.349 0 N-CA-C 108.804 -0.813 . . . . 73.31 108.804 175.909 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 104' ' ' PRO . . . . . 0.492 ' HG2' ' HB2' ' A' ' 74' ' ' PRO . 45.1 Cg_endo -70.63 144.53 49.66 Favored 'Trans proline' 0 N--CA 1.456 -0.727 0 C-N-CA 121.952 1.768 . . . . 73.52 111.899 -177.107 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 70.42 15.13 72.57 Favored Glycine 0 CA--C 1.521 0.42 0 CA-C-N 115.337 -0.847 . . . . 54.45 112.977 -177.662 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 24.8 tp -117.36 137.67 52.3 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-O 121.014 0.435 . . . . 65.03 111.365 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -71.33 144.19 50.0 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-N 115.404 -0.816 . . . . 72.42 110.323 176.036 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -62.79 -43.9 97.59 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.85 0.357 . . . . 74.35 110.596 175.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 109' ' ' ALA . . . . . 0.447 ' HA ' ' HE2' ' A' ' 112' ' ' LYS . . . -55.6 -46.47 77.29 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 115.823 -0.626 . . . . 64.13 110.787 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 0.429 ' O ' ' HG ' ' A' ' 114' ' ' LEU . . . -72.57 -39.88 67.06 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.959 -0.564 . . . . 73.25 110.25 179.296 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -55.37 -39.5 70.19 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.631 -0.713 . . . . 54.13 111.049 -178.591 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 112' ' ' LYS . . . . . 0.447 ' HE2' ' HA ' ' A' ' 109' ' ' ALA . 50.8 mtmt -51.29 -49.67 60.82 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.151 -0.477 . . . . 74.23 110.845 178.203 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -75.86 -39.62 56.24 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 116.132 -0.485 . . . . 74.22 110.65 -176.593 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.443 ' HA ' ' HD2' ' A' ' 117' ' ' ARG . 50.8 mt -60.48 -48.85 79.97 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 120.751 0.31 . . . . 61.01 110.538 -177.238 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 98.0 t -64.43 -32.64 58.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.846 -0.615 . . . . 72.22 110.187 177.579 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -65.56 -61.33 2.16 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 116.398 -0.364 . . . . 63.5 110.687 179.51 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 117' ' ' ARG . . . . . 0.453 HH11 ' HD3' ' A' ' 117' ' ' ARG . 2.0 ptp180 -58.59 -38.16 77.36 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-O 120.657 0.265 . . . . 65.24 110.88 -178.603 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -58.39 -44.51 88.96 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.238 0.542 . . . . 63.41 109.904 172.526 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 52.3 t60 -79.1 12.94 2.0 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-N 115.964 -0.562 . . . . 74.13 110.584 177.299 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 120' ' ' HIS . . . . . 0.411 ' HB2' ' O ' ' A' ' 117' ' ' ARG . 7.9 m80 -108.12 -49.15 3.24 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 123.326 0.651 . . . . 75.14 109.43 169.89 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 32.0 m -92.38 -2.91 10.68 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.303 0 CA-C-N 115.762 -0.654 . . . . 74.54 111.739 -173.757 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 122' ' ' CYS . . . . . 0.521 ' N ' ' HD3' ' A' ' 123' ' ' PRO . 65.2 m -137.65 58.15 15.76 Favored Pre-proline 0 CA--C 1.536 0.433 0 CA-C-O 121.003 0.43 . . . . 72.12 110.921 176.536 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 123' ' ' PRO . . . . . 0.521 ' HD3' ' N ' ' A' ' 122' ' ' CYS . 43.0 Cg_endo -99.62 159.84 0.57 Allowed 'Trans proline' 0 N--CA 1.453 -0.896 0 C-N-CA 123.232 2.621 . . . . 74.45 112.398 176.736 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -90.13 -11.61 40.72 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.651 -0.5 . . . . 65.44 109.651 171.393 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 44.9 p 178.16 163.28 0.67 Allowed 'General case' 0 C--O 1.232 0.169 0 CA-C-N 115.308 -0.86 . . . . 62.44 109.34 177.363 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -55.68 -31.23 62.24 Favored 'General case' 0 C--O 1.239 0.539 0 CA-C-O 121.972 0.891 . . . . 73.42 109.057 171.601 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -67.72 6.49 0.65 Allowed 'General case' 0 C--O 1.221 -0.441 0 CA-C-N 114.253 -1.339 . . . . 54.1 112.472 -178.409 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 6.0 t -88.86 -7.74 55.57 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 108.099 -1.075 . . . . 73.21 108.099 -172.411 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 4.2 ptp180 -146.06 -46.64 0.2 Allowed 'General case' 0 N--CA 1.441 -0.924 0 CA-C-N 114.562 -1.199 . . . . 72.04 111.856 -179.215 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 53.0 m-80 -72.19 -51.3 21.8 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.121 -0.491 . . . . 71.52 110.654 -175.024 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 64.3 t30 -84.92 -39.79 17.77 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.769 -0.651 . . . . 72.12 111.899 -173.738 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 61.9 t -110.52 137.15 44.13 Favored 'Isoleucine or valine' 0 C--O 1.235 0.341 0 CA-C-O 120.839 0.352 . . . . 70.22 110.665 -170.807 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -74.1 89.81 1.99 Allowed 'General case' 0 C--O 1.238 0.475 0 CA-C-O 121.657 0.741 . . . . 45.42 111.591 -177.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 40.2 t -105.71 102.48 13.92 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.766 0 CA-C-N 115.089 -0.959 . . . . 75.02 109.649 172.648 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 135' ' ' ARG . . . . . 0.63 ' HD3' ' HG2' ' A' ' 98' ' ' GLU . 75.9 ttt180 -71.77 97.12 1.72 Allowed 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 114.495 -1.23 . . . . 72.41 110.228 -177.865 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 59.3 mt -74.09 116.01 14.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.761 -0.654 . . . . 50.04 110.553 177.725 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 137' ' ' VAL . . . . . 0.454 ' O ' ' HA ' ' A' ' 100' ' ' ARG . 0.1 OUTLIER -126.41 114.82 39.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 115.534 -0.757 . . . . 74.42 109.859 -178.914 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 10.5 m -102.21 138.68 25.58 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.552 0 CA-C-O 121.506 0.67 . . . . 53.11 111.32 -177.688 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 139' ' ' ALA . . . . . 0.525 ' HB3' ' HA ' ' A' ' 102' ' ' ALA . . . . . . . . 0 C--N 1.313 -1.016 0 CA-C-N 114.346 -1.297 . . . . 73.13 110.697 -177.562 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 28.7 ptm . . . . . 0 C--O 1.234 0.28 0 CA-C-O 120.956 0.407 . . . . 72.42 110.843 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 53.8 t30 -96.06 85.19 3.97 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.781 -0.645 . . . . 61.35 109.839 -179.645 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 3' ' ' ILE . . . . . 0.475 HG21 ' HB2' ' B' ' 6' ' ' LYS . 30.4 mm -69.01 124.23 24.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-N 115.829 -0.623 . . . . 72.42 111.893 -179.143 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.744 ' HG ' ' HD3' ' A' ' 87' ' ' PRO . 87.2 mt -77.37 -40.78 42.69 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.072 -0.967 . . . . 75.25 109.97 174.263 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 5' ' ' TYR . . . . . . . . . . . . . 47.3 t80 -152.2 138.08 18.05 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 115.952 -0.567 . . . . 75.45 110.973 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 6' ' ' LYS . . . . . 0.475 ' HB2' HG21 ' B' ' 3' ' ' ILE . 31.0 ttmt -137.78 129.36 28.19 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.992 0.425 . . . . 65.01 110.755 176.317 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 9.9 t -118.34 164.07 15.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.42 -0.809 . . . . 72.52 109.194 178.528 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -133.21 150.11 51.99 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-O 121.3 0.571 . . . . 64.22 111.885 -175.078 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 9' ' ' ALA . . . . . 0.405 ' HA ' ' H ' ' B' ' 22' ' ' HIS . . . -145.03 116.99 8.28 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.691 -0.686 . . . . 31.45 109.898 177.128 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 9.3 t -92.66 118.07 30.65 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.102 0.477 . . . . 64.31 109.889 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 11' ' ' SER . . . . . 0.407 ' HB2' ' HB2' ' A' ' 56' ' ' ALA . 21.4 p -114.76 117.92 32.13 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.346 -0.388 . . . . 74.14 110.601 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 4.8 m -93.7 156.05 16.91 Favored 'General case' 0 C--O 1.24 0.599 0 CA-C-N 116.279 -0.419 . . . . 53.42 110.923 -178.378 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -83.13 72.29 2.87 Favored Glycine 0 N--CA 1.444 -0.789 0 N-CA-C 111.371 -0.692 . . . . 71.12 111.371 176.13 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -66.44 -154.89 0.31 Allowed Glycine 0 C--N 1.335 0.498 0 C-N-CA 121.042 -0.599 . . . . 73.4 112.408 177.403 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 39.7 ttm180 -53.85 -46.39 71.22 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 120.79 0.329 . . . . 65.14 110.145 -178.049 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 16' ' ' ASP . . . . . 0.516 ' HA ' ' HE3' ' A' ' 63' ' ' LYS . 11.0 t70 -125.75 -43.34 1.86 Allowed 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 109.914 -0.402 . . . . 65.33 109.914 171.671 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 17' ' ' GLY . . . . . 0.507 ' O ' ' HG3' ' B' ' 29' ' ' LYS . . . -171.04 156.49 26.61 Favored Glycine 0 C--N 1.345 1.05 0 C-N-CA 120.465 -0.874 . . . . 74.22 111.446 164.25 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 18' ' ' ARG . . . . . 0.625 ' HA ' ' HA ' ' B' ' 29' ' ' LYS . 0.0 OUTLIER -139.78 134.66 32.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 117.339 0.57 . . . . 74.4 109.797 178.816 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -133.8 128.0 33.84 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 120.74 0.305 . . . . 64.21 111.44 -175.784 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 20' ' ' THR . . . . . 0.432 HG23 ' O ' ' B' ' 26' ' ' LEU . 89.2 m -133.69 117.19 16.69 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.265 -0.425 . . . . 75.11 110.267 177.263 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 21' ' ' SER . . . . . 0.571 ' HB3' ' N ' ' B' ' 26' ' ' LEU . 14.9 t -73.77 113.58 11.08 Favored 'General case' 0 C--O 1.247 0.945 0 N-CA-C 108.467 -0.938 . . . . 74.21 108.467 175.929 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 22' ' ' HIS . . . . . 0.456 ' C ' ' H ' ' B' ' 24' ' ' GLN . 11.4 t-80 -49.98 -32.7 15.72 Favored 'General case' 0 N--CA 1.469 0.481 0 O-C-N 126.302 2.252 . . . . 73.12 112.984 -170.728 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -80.11 19.46 0.73 Allowed 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.194 0.521 . . . . 63.54 109.765 -175.404 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 24' ' ' GLN . . . . . 0.456 ' H ' ' C ' ' B' ' 22' ' ' HIS . 27.8 mm-40 65.77 21.91 11.51 Favored 'General case' 0 CA--C 1.519 -0.242 0 CA-C-N 115.029 -0.987 . . . . 71.43 109.43 178.832 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 25' ' ' LYS . . . . . 0.516 ' HB2' ' OG ' ' B' ' 21' ' ' SER . 9.7 mmpt? -80.66 -30.87 36.51 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 114.794 -1.094 . . . . 41.25 109.89 178.439 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 26' ' ' LEU . . . . . 0.571 ' N ' ' HB3' ' B' ' 21' ' ' SER . 56.9 tp -149.59 148.61 29.55 Favored 'General case' 0 C--N 1.345 0.412 0 C-N-CA 119.92 -0.712 . . . . 71.52 111.191 -177.094 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -158.26 90.86 1.06 Allowed 'General case' 0 N--CA 1.465 0.288 0 O-C-N 123.61 0.569 . . . . 53.33 109.754 174.175 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 28' ' ' VAL . . . . . 0.45 HG22 HD11 ' B' ' 26' ' ' LEU . 5.9 m -146.53 178.1 1.19 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.436 0 CA-C-O 121.473 0.654 . . . . 74.12 111.783 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 29' ' ' LYS . . . . . 0.625 ' HA ' ' HA ' ' B' ' 18' ' ' ARG . 21.5 tttm -126.29 140.93 52.14 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 114.72 -1.127 . . . . 64.31 109.513 176.863 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 30' ' ' LEU . . . . . 0.549 ' HA ' ' H ' ' B' ' 44' ' ' THR . 0.0 OUTLIER -121.74 165.16 16.24 Favored 'General case' 0 C--O 1.257 1.472 0 CA-C-O 121.089 0.471 . . . . 72.32 110.201 178.129 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 31' ' ' SER . . . . . 0.473 ' HA ' ' HB3' ' B' ' 16' ' ' ASP . 50.1 m -162.18 129.33 3.81 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 115.389 -0.823 . . . . 62.35 111.479 -171.412 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -66.18 145.66 99.0 Favored Pre-proline 0 N--CA 1.453 -0.305 0 CA-C-N 116.011 -0.54 . . . . 75.13 109.815 172.739 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 33' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -68.26 4.83 1.4 Allowed 'Trans proline' 0 C--N 1.348 0.543 0 C-N-CA 122.833 2.356 . . . . 71.3 113.001 -175.279 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 34' ' ' ARG . . . . . 0.536 ' HB2' ' CA ' ' B' ' 40' ' ' GLY . 0.0 OUTLIER 76.23 -42.35 0.44 Allowed 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 123.667 0.787 . . . . 71.43 111.255 177.541 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 16.3 tp10 -43.73 -31.45 0.8 Allowed 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 123.611 0.765 . . . . 72.42 112.969 -173.211 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.539 ' HG ' HD12 ' B' ' 85' ' ' ILE . 1.6 mm? -95.88 -37.41 10.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.888 0.375 . . . . 63.52 110.31 -177.743 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 153.39 54.67 0.01 OUTLIER Glycine 0 C--N 1.331 0.275 0 CA-C-N 115.929 -0.578 . . . . 51.22 112.632 179.629 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 38' ' ' GLY . . . . . 0.454 ' H ' ' HA ' ' B' ' 34' ' ' ARG . . . -122.68 -139.01 5.44 Favored Glycine 0 N--CA 1.449 -0.477 0 N-CA-C 111.148 -0.781 . . . . 64.12 111.148 176.386 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -118.54 -11.34 9.93 Favored 'General case' 0 C--N 1.322 -0.629 0 C-N-CA 122.242 0.217 . . . . 71.25 111.557 -178.236 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 40' ' ' GLY . . . . . 0.536 ' CA ' ' HB2' ' B' ' 34' ' ' ARG . . . 54.3 64.08 4.61 Favored Glycine 0 C--N 1.334 0.42 0 CA-C-N 116.324 -0.398 . . . . 53.13 112.933 -178.281 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 41' ' ' ALA . . . . . 0.414 ' HB3' ' OG ' ' B' ' 31' ' ' SER . . . -114.75 172.15 7.21 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.019 0.437 . . . . 45.11 111.635 -177.056 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -66.55 77.29 0.11 Allowed 'General case' 0 CA--C 1.538 0.495 0 CA-C-N 115.441 -0.799 . . . . 74.14 111.226 177.541 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -159.57 -178.51 33.64 Favored Glycine 0 N--CA 1.453 -0.183 0 C-N-CA 120.533 -0.841 . . . . 72.12 113.107 177.701 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 44' ' ' THR . . . . . 0.549 ' H ' ' HA ' ' B' ' 30' ' ' LEU . 30.3 m -90.6 140.57 29.63 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 110.171 -0.307 . . . . 35.03 110.171 -178.763 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 45' ' ' ASN . . . . . 0.766 ' HB2' ' HB3' ' B' ' 48' ' ' GLN . 1.3 m-20 -61.07 138.66 94.3 Favored Pre-proline 0 C--N 1.328 -0.339 0 N-CA-C 109.63 -0.507 . . . . 71.14 109.63 178.325 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 46' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -58.03 -50.24 10.64 Favored 'Trans proline' 0 C--N 1.348 0.551 0 C-N-CA 122.655 2.237 . . . . 54.41 112.528 -179.541 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 47' ' ' GLU . . . . . 0.43 ' OE1' ' HB3' ' B' ' 45' ' ' ASN . 0.0 OUTLIER -64.05 -43.06 96.67 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-O 120.811 0.338 . . . . 73.03 110.148 179.693 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 48' ' ' GLN . . . . . 0.766 ' HB3' ' HB2' ' B' ' 45' ' ' ASN . 33.2 tt0 -59.1 -43.34 91.85 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.697 -0.683 . . . . 65.22 111.511 176.891 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -61.92 -48.25 81.3 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.43 -0.582 . . . . 73.15 109.43 179.709 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 20.1 t80 -60.8 -44.39 96.9 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.432 -0.804 . . . . 74.53 111.118 177.298 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 51' ' ' ALA . . . . . 0.452 ' HB2' HG11 ' B' ' 83' ' ' VAL . . . -53.58 -50.8 64.82 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.206 -0.452 . . . . 63.22 110.662 177.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -58.94 -45.99 89.08 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 115.693 -0.685 . . . . 74.31 110.684 178.354 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -64.63 -37.6 94.6 Favored Glycine 0 CA--C 1.52 0.393 0 CA-C-N 115.83 -0.623 . . . . 73.22 112.657 -179.549 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -72.1 -40.79 67.93 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 122.507 0.323 . . . . 73.14 110.168 -177.924 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 55' ' ' SER . . . . . 0.587 ' HB3' ' HB2' ' B' ' 81' ' ' ALA . 17.6 p -64.79 -46.19 83.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.879 0.371 . . . . 71.55 110.189 178.149 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 56' ' ' ALA . . . . . 0.491 ' HB1' HD21 ' A' ' 30' ' ' LEU . . . -62.77 -44.66 95.61 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 116.025 -0.534 . . . . 72.32 110.556 176.81 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 57' ' ' CYS . . . . . 0.47 ' HB2' ' HB3' ' A' ' 46' ' ' PRO . 39.1 t -61.15 -40.95 95.77 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.671 -0.695 . . . . 72.4 110.478 178.594 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 31.8 t80 -64.79 -36.49 84.47 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 116.044 -0.525 . . . . 52.32 109.924 -177.024 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 6.1 tt -69.72 -49.54 52.29 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 115.922 -0.581 . . . . 64.41 110.18 -179.139 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 60' ' ' SER . . . . . 0.552 ' O ' ' HB3' ' B' ' 63' ' ' LYS . 25.6 t -64.87 -41.59 95.53 Favored 'General case' 0 C--O 1.237 0.446 0 CA-C-O 121.228 0.537 . . . . 73.23 110.384 -179.433 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -64.66 -44.28 90.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 44.1 110.244 177.526 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 62' ' ' MET . . . . . 0.612 ' SD ' ' HB1' ' B' ' 118' ' ' ALA . 3.2 tpt -59.69 -37.18 78.11 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-O 121.3 0.572 . . . . 71.0 109.706 176.852 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 63' ' ' LYS . . . . . 0.552 ' HB3' ' O ' ' B' ' 60' ' ' SER . 80.6 tttt -58.9 -50.62 73.34 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 115.105 -0.952 . . . . 72.03 110.303 175.635 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 81.6 t80 -63.85 -44.54 92.86 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 116.313 -0.403 . . . . 73.11 110.931 178.448 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 44.1 t -56.28 -41.77 71.74 Favored 'Isoleucine or valine' 0 C--O 1.235 0.301 0 CA-C-N 116.086 -0.506 . . . . 75.05 110.976 -179.64 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -54.19 -32.95 56.99 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.013 0.435 . . . . 74.13 110.552 177.711 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -72.07 -26.2 72.94 Favored Glycine 0 N--CA 1.451 -0.308 0 CA-C-N 115.577 -0.738 . . . . 75.04 112.679 -177.128 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -99.1 -14.71 19.28 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 121.277 0.561 . . . . 64.5 109.509 179.16 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -94.54 -5.34 46.19 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.363 -0.835 . . . . 65.21 110.514 176.831 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 70' ' ' LYS . . . . . 0.49 ' HD3' ' N ' ' B' ' 70' ' ' LYS . 11.7 mmtp 67.07 24.23 9.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.229 -0.896 . . . . 73.12 110.859 173.5 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -112.48 168.04 9.97 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.568 -0.742 . . . . 74.24 110.11 178.789 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 1.2 p -127.15 134.68 50.15 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.923 -0.581 . . . . 74.12 110.207 -179.576 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 73' ' ' LEU . . . . . 0.514 HD11 ' HG3' ' B' ' 62' ' ' MET . 87.9 mt -109.3 144.76 30.42 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 116.371 -0.377 . . . . 75.15 110.996 -176.632 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 74' ' ' PRO . . . . . 0.645 ' HD2' HD11 ' B' ' 103' ' ' LEU . 24.6 Cg_exo -64.3 120.55 7.91 Favored 'Trans proline' 0 C--N 1.349 0.571 0 C-N-CA 122.596 2.197 . . . . 62.01 111.37 174.049 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -76.92 -3.6 39.59 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.907 0.384 . . . . 71.53 111.264 -177.158 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -91.77 10.23 29.33 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-O 121.382 0.61 . . . . 60.22 110.736 -179.393 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 77' ' ' THR . . . . . 0.492 ' HB ' HD12 ' B' ' 103' ' ' LEU . 9.1 t -80.79 172.75 13.36 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.933 -0.576 . . . . 73.25 112.204 -176.33 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 22.2 m -152.0 149.25 28.68 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 115.887 -0.597 . . . . 71.23 110.4 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 96.6 t -127.0 125.13 65.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 N-CA-C 109.867 -0.42 . . . . 54.24 109.867 176.72 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 80' ' ' THR . . . . . 0.495 ' HB ' ' HB2' ' B' ' 100' ' ' ARG . 24.2 m -110.7 113.57 26.27 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.118 -0.492 . . . . 72.42 110.253 -179.764 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 81' ' ' ALA . . . . . 0.587 ' HB2' ' HB3' ' B' ' 55' ' ' SER . . . -93.25 107.87 19.61 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.439 -0.346 . . . . 73.43 110.367 -178.748 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -102.25 115.47 30.62 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.519 -0.549 . . . . 71.23 109.519 178.232 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 83' ' ' VAL . . . . . 0.452 HG11 ' HB2' ' B' ' 51' ' ' ALA . 16.7 m -117.35 140.68 39.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 121.004 0.431 . . . . 71.44 111.1 -177.491 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 84' ' ' GLY . . . . . . . . . . . . . . . -132.01 149.09 19.31 Favored Glycine 0 N--CA 1.442 -0.904 0 N-CA-C 111.263 -0.735 . . . . 52.45 111.263 175.048 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 85' ' ' ILE . . . . . 0.539 HD12 ' HG ' ' B' ' 36' ' ' LEU . 0.0 OUTLIER -123.28 130.91 74.01 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 N-CA-C 109.258 -0.645 . . . . 73.1 109.258 -179.876 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 86' ' ' GLY . . . . . 0.556 ' HA2' ' HG ' ' A' ' 4' ' ' LEU . . . -141.63 170.29 24.84 Favored Glycine 0 C--N 1.332 0.315 0 O-C-N 124.033 0.833 . . . . 52.3 111.151 -176.08 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 87' ' ' PRO . . . . . 0.633 ' HD3' ' HG ' ' A' ' 4' ' ' LEU . 7.3 Cg_endo -81.24 126.18 5.47 Favored 'Trans proline' 0 N--CA 1.455 -0.751 0 C-N-CA 122.528 2.152 . . . . 61.3 112.05 -175.041 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 88' ' ' ASN . . . . . . . . . . . . . 54.0 t-20 -76.22 130.91 38.9 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 108.872 -0.788 . . . . 72.3 108.872 176.531 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -61.24 -15.21 32.27 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.953 0.406 . . . . 65.22 110.979 -177.889 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -67.18 -17.49 64.86 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 115.836 -0.62 . . . . 74.05 110.895 177.023 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.61 35.34 3.31 Favored Glycine 0 N--CA 1.454 -0.115 0 CA-C-N 115.972 -0.558 . . . . 72.2 111.767 -176.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . -150.05 -149.51 5.03 Favored Glycine 0 C--N 1.33 0.228 0 N-CA-C 111.325 -0.71 . . . . 70.13 111.325 178.184 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 93' ' ' PHE . . . . . . . . . . . . . 68.0 m-85 -111.48 162.88 14.63 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 117.054 0.427 . . . . 73.12 110.456 177.798 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -149.21 142.36 24.98 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.832 -0.622 . . . . 62.21 110.154 -179.172 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -102.6 149.19 24.67 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-O 121.052 0.453 . . . . 74.21 110.687 178.764 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 96' ' ' ASP . . . . . 0.458 ' HB3' HD11 ' A' ' 3' ' ' ILE . 48.5 t0 -137.04 110.18 7.77 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 108.093 -1.077 . . . . 73.53 108.093 175.636 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 97' ' ' VAL . . . . . 0.432 HG13 HG13 ' B' ' 134' ' ' VAL . 2.6 p -113.98 116.52 52.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 121.706 0.765 . . . . 65.34 111.514 -173.155 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 98' ' ' GLU . . . . . 0.566 ' HG2' ' HB2' ' B' ' 135' ' ' ARG . 49.6 mt-10 -104.41 113.55 27.18 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 114.839 -1.073 . . . . 74.42 109.433 178.934 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 90.5 mt -94.58 116.97 29.4 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.037 -0.528 . . . . 61.12 110.125 -177.617 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 100' ' ' ARG . . . . . 0.567 ' HA ' ' O ' ' B' ' 137' ' ' VAL . 98.5 mtt180 -99.03 120.13 38.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.093 -0.503 . . . . 64.11 110.112 -177.646 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 101' ' ' VAL . . . . . . . . . . . . . 83.9 t -105.33 112.3 38.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 115.537 -0.756 . . . . 60.12 110.646 -177.564 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -107.23 100.96 10.38 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.624 -0.509 . . . . 53.32 109.624 174.512 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 103' ' ' LEU . . . . . 0.845 HD23 HD22 ' B' ' 106' ' ' LEU . 23.7 tp -114.02 116.61 44.73 Favored Pre-proline 0 C--N 1.327 -0.383 0 N-CA-C 108.334 -0.987 . . . . 72.24 108.334 -179.433 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 104' ' ' PRO . . . . . 0.519 ' HD2' HD12 ' B' ' 103' ' ' LEU . 61.6 Cg_endo -71.19 145.72 49.71 Favored 'Trans proline' 0 N--CA 1.462 -0.324 0 C-N-CA 122.472 2.114 . . . . 74.24 113.664 -169.054 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 105' ' ' GLY . . . . . . . . . . . . . . . 70.57 14.86 72.71 Favored Glycine 0 CA--C 1.519 0.313 0 CA-C-N 114.693 -1.139 . . . . 72.34 112.76 -179.8 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 106' ' ' LEU . . . . . 0.845 HD22 HD23 ' B' ' 103' ' ' LEU . 30.9 tp -115.09 140.28 49.19 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-O 121.183 0.516 . . . . 60.53 111.927 -175.923 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -76.01 144.57 40.8 Favored 'General case' 0 N--CA 1.462 0.134 0 CA-C-N 115.529 -0.76 . . . . 63.12 110.242 174.899 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -64.03 -36.86 85.37 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.921 0.391 . . . . 34.32 110.824 -179.771 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -60.52 -51.39 69.66 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.089 -0.505 . . . . 64.51 110.462 179.288 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 110' ' ' ALA . . . . . 0.493 ' O ' HG22 ' B' ' 113' ' ' THR . . . -66.69 -37.76 85.39 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-O 121.21 0.528 . . . . 72.03 110.22 178.409 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 111' ' ' ALA . . . . . 0.444 ' HA ' HD21 ' B' ' 106' ' ' LEU . . . -57.01 -41.2 78.1 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.667 -0.697 . . . . 64.14 110.978 179.758 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 112' ' ' LYS . . . . . . . . . . . . . 59.5 mttp -54.94 -35.48 64.26 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 116.247 -0.433 . . . . 74.45 111.356 178.142 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 113' ' ' THR . . . . . 0.493 HG22 ' O ' ' B' ' 110' ' ' ALA . 0.6 OUTLIER -82.25 -35.78 27.78 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-O 120.727 0.299 . . . . 72.03 110.608 179.326 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 58.8 mt -66.8 -45.26 78.95 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-O 120.852 0.358 . . . . 70.23 110.799 -178.526 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 115' ' ' VAL . . . . . 0.522 HG21 HG12 ' B' ' 138' ' ' VAL . 57.8 t -65.72 -32.4 58.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 121.087 0.47 . . . . 63.55 110.128 177.283 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -60.32 -61.18 2.79 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.768 -0.651 . . . . 75.43 110.585 177.509 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 117' ' ' ARG . . . . . 0.412 ' HG2' ' O ' ' B' ' 113' ' ' THR . 7.0 ptm180 -61.52 -36.39 80.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.663 -0.699 . . . . 70.2 110.787 -178.292 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 118' ' ' ALA . . . . . 0.612 ' HB1' ' SD ' ' B' ' 62' ' ' MET . . . -65.04 -47.34 77.72 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.493 -0.776 . . . . 61.11 111.241 178.639 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -74.77 -0.32 17.85 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-O 120.794 0.33 . . . . 74.31 111.024 -174.893 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 15.0 t60 -65.93 -44.17 85.89 Favored 'General case' 0 C--N 1.332 -0.196 0 N-CA-C 108.824 -0.806 . . . . 61.52 108.824 173.887 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 23.5 m -89.89 59.58 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.34 -0.846 . . . . 63.42 109.468 175.664 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 122' ' ' CYS . . . . . 0.425 ' HA ' ' HD3' ' B' ' 123' ' ' PRO . 41.8 t -65.13 114.99 17.33 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 115.119 -0.946 . . . . 74.53 109.982 -177.76 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 123' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' B' ' 122' ' ' CYS . 53.1 Cg_exo -55.07 -50.71 12.23 Favored 'Trans proline' 0 C--N 1.352 0.713 0 C-N-CA 123.248 2.632 . . . . 65.25 113.125 -173.168 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 124' ' ' TYR . . . . . 0.716 ' HB3' HG21 ' B' ' 128' ' ' THR . 23.3 t80 . . . . . 0 CA--C 1.534 0.355 0 CA-C-N 116.475 -0.329 . . . . 65.35 110.69 -176.316 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 128' ' ' THR . . . . . 0.716 HG21 ' HB3' ' B' ' 124' ' ' TYR . 1.4 t . . . . . 0 N--CA 1.457 -0.083 0 N-CA-C 109.494 -0.558 . . . . 55.14 109.494 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 129' ' ' ARG . . . . . 0.432 ' HG3' ' N ' ' B' ' 130' ' ' ASN . 13.3 ptm180 -121.95 -43.89 2.33 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-N 115.597 -0.728 . . . . 75.21 110.38 178.447 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 130' ' ' ASN . . . . . 0.432 ' N ' ' HG3' ' B' ' 129' ' ' ARG . 82.1 m-20 -78.48 -51.99 9.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.078 -0.51 . . . . 74.14 110.323 178.901 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 131' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -73.56 -43.98 58.53 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.937 -0.574 . . . . 75.43 110.519 -178.609 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 132' ' ' VAL . . . . . . . . . . . . . 55.9 t -86.18 144.93 8.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.939 -0.573 . . . . 52.13 109.839 178.77 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 133' ' ' ALA . . . . . 0.654 ' HB1' ' NH1' ' B' ' 135' ' ' ARG . . . -78.97 101.38 7.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.97 0.414 . . . . 72.23 111.334 -176.767 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 134' ' ' VAL . . . . . 0.432 HG13 HG13 ' B' ' 97' ' ' VAL . 6.8 t -120.88 134.77 63.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 115.751 -0.659 . . . . 61.1 110.611 178.748 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 135' ' ' ARG . . . . . 0.654 ' NH1' ' HB1' ' B' ' 133' ' ' ALA . 1.7 mpt_? -114.38 120.49 40.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.119 -0.492 . . . . 74.32 110.017 175.64 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 136' ' ' LEU . . . . . 0.422 HD13 HG12 ' B' ' 115' ' ' VAL . 72.8 mt -87.16 107.08 18.3 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.336 0.589 . . . . 72.41 110.879 178.494 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 137' ' ' VAL . . . . . 0.567 ' O ' ' HA ' ' B' ' 100' ' ' ARG . 0.2 OUTLIER -112.14 115.18 49.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.256 -0.884 . . . . 72.22 110.105 -179.035 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 138' ' ' VAL . . . . . 0.522 HG12 HG21 ' B' ' 115' ' ' VAL . 2.8 m -98.56 138.48 23.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.846 -0.616 . . . . 70.52 110.12 -177.663 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 139' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.292 0 CA-C-N 115.722 -0.672 . . . . 71.35 110.903 -176.038 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.402 ' HE1' ' HB3' ' B' ' 94' ' ' ALA . 16.9 ptt? . . . . . 0 N--CA 1.484 1.227 0 N-CA-C 110.027 -0.36 . . . . 71.43 110.027 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 53.5 t30 -70.62 71.78 0.5 Allowed 'General case' 0 CA--C 1.534 0.327 0 CA-C-O 121.364 0.602 . . . . 75.52 110.496 175.62 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.525 HG21 ' HB2' ' A' ' 6' ' ' LYS . 24.8 mm -75.9 134.03 29.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.803 -0.635 . . . . 51.02 111.497 177.594 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.718 ' HG ' ' HA2' ' B' ' 86' ' ' GLY . 60.8 mt -88.62 -46.83 8.74 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.215 -0.902 . . . . 74.21 109.092 171.014 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 42.3 t80 -139.7 132.61 29.3 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 115.872 -0.604 . . . . 54.43 110.255 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.525 ' HB2' HG21 ' A' ' 3' ' ' ILE . 30.0 ttmt -139.48 134.41 32.24 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.74 0.305 . . . . 62.42 110.391 175.614 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 15.2 t -143.13 170.58 15.45 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.615 -0.513 . . . . 73.02 109.615 177.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.484 ' HA ' ' HA ' ' B' ' 82' ' ' GLU . . . -133.83 156.47 47.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.287 0.565 . . . . 64.34 112.33 -173.866 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -132.6 121.39 23.14 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.348 -0.842 . . . . 65.14 108.879 171.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.472 ' HA ' ' HA ' ' B' ' 80' ' ' THR . 8.1 t -100.27 120.63 40.21 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.715 -0.476 . . . . 73.43 109.715 -176.042 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 97.7 p -103.57 120.5 41.01 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.032 -0.531 . . . . 71.32 110.178 -179.636 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.64 ' HA ' HG22 ' B' ' 78' ' ' THR . 3.3 m -96.71 156.79 16.19 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.432 -0.349 . . . . 72.12 110.165 179.146 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -75.1 66.15 2.22 Favored Glycine 0 N--CA 1.443 -0.867 0 C-N-CA 120.91 -0.662 . . . . 62.44 112.626 176.285 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -63.17 -165.24 0.6 Allowed Glycine 0 C--N 1.34 0.766 0 C-N-CA 120.808 -0.711 . . . . 62.02 111.994 171.574 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 96.0 mtt180 -47.38 -48.18 25.95 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 116.941 0.371 . . . . 73.04 111.1 -176.608 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.552 ' HB3' ' HA ' ' A' ' 31' ' ' SER . 23.4 t0 -125.79 -43.0 1.88 Allowed 'General case' 0 CA--C 1.515 -0.401 0 N-CA-C 109.37 -0.604 . . . . 74.22 109.37 166.843 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -158.85 147.95 16.27 Favored Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 119.504 -1.332 . . . . 73.12 112.475 169.209 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 45.5 ttp180 -123.28 144.38 49.45 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.459 -0.941 . . . . 73.24 108.459 172.019 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -136.42 123.78 21.98 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.818 -0.438 . . . . 71.12 109.818 -177.596 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.401 ' HA ' ' O ' ' A' ' 26' ' ' LEU . 11.2 m -130.76 114.3 15.18 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.261 -0.427 . . . . 63.53 110.497 -176.317 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.613 ' CB ' ' HB3' ' A' ' 26' ' ' LEU . 35.9 t -66.6 108.03 2.3 Favored 'General case' 0 C--O 1.254 1.33 0 N-CA-C 107.418 -1.327 . . . . 62.3 107.418 175.679 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 30.8 t-80 -62.99 -9.07 8.62 Favored 'General case' 0 C--N 1.349 0.576 0 O-C-N 126.703 2.502 . . . . 71.44 111.603 -171.862 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.445 ' OD1' ' HE3' ' A' ' 25' ' ' LYS . 27.7 t70 -79.72 8.43 6.67 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 108.204 -1.035 . . . . 73.43 108.204 173.723 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 29.9 mm-40 70.95 28.92 3.12 Favored 'General case' 0 CA--C 1.516 -0.331 0 CA-C-N 114.3 -1.318 . . . . 72.53 110.597 172.455 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.445 ' HE3' ' OD1' ' A' ' 23' ' ' ASP . 18.6 ptpt -117.47 -10.12 10.73 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.839 -0.618 . . . . 73.44 112.348 -179.363 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.613 ' HB3' ' CB ' ' A' ' 21' ' ' SER . 59.9 tp -140.78 139.94 34.68 Favored 'General case' 0 C--O 1.219 -0.515 0 C-N-CA 118.246 -1.381 . . . . 74.42 111.766 177.405 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -152.65 98.46 2.35 Favored 'General case' 0 C--O 1.235 0.299 0 N-CA-C 109.01 -0.737 . . . . 74.13 109.01 173.93 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 2.9 m -135.65 177.97 5.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.611 -0.722 . . . . 62.12 111.344 -177.538 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 11.6 ttpp -138.28 137.7 37.72 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.533 -0.758 . . . . 62.42 110.357 -179.115 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.628 ' HA ' ' H ' ' A' ' 44' ' ' THR . 0.0 OUTLIER -125.87 164.47 20.67 Favored 'General case' 0 C--O 1.255 1.357 0 CA-C-N 115.892 -0.595 . . . . 64.12 110.382 178.229 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.552 ' HA ' ' HB3' ' A' ' 16' ' ' ASP . 29.7 m -161.64 137.22 7.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.18 -0.918 . . . . 75.34 110.355 -174.934 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -80.93 117.19 66.97 Favored Pre-proline 0 C--O 1.241 0.629 0 CA-C-N 116.126 -0.488 . . . . 52.21 109.962 174.928 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 81.3 Cg_exo -47.5 139.52 17.4 Favored 'Trans proline' 0 C--N 1.35 0.649 0 C-N-CA 122.762 2.308 . . . . 73.33 111.451 176.616 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.507 ' HB2' ' CA ' ' A' ' 40' ' ' GLY . 12.0 ttt180 -78.67 9.66 3.92 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.783 0.325 . . . . 50.12 111.607 -170.241 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -51.57 -43.92 62.58 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.825 -0.625 . . . . 75.14 111.173 -178.855 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 55.7 mt -108.91 29.69 7.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.762 -0.654 . . . . 63.44 110.988 -174.849 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 79.65 49.17 6.26 Favored Glycine 0 C--N 1.331 0.285 0 C-N-CA 120.824 -0.703 . . . . 72.22 112.01 -178.169 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.498 ' H ' ' HA ' ' A' ' 34' ' ' ARG . . . -103.24 -133.66 8.04 Favored Glycine 0 N--CA 1.453 -0.207 0 N-CA-C 112.114 -0.394 . . . . 73.44 112.114 -178.162 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -102.09 -42.02 6.22 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.977 0.418 . . . . 63.22 110.844 -177.814 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.507 ' CA ' ' HB2' ' A' ' 34' ' ' ARG . . . 75.21 92.67 0.17 Allowed Glycine 0 N--CA 1.449 -0.463 0 CA-C-N 115.855 -0.611 . . . . 45.53 112.31 -175.82 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.442 ' HB3' ' CB ' ' A' ' 31' ' ' SER . . . -161.87 176.5 10.77 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.024 0.44 . . . . 44.21 111.124 178.818 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -77.5 2.43 16.31 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 115.247 -0.888 . . . . 71.23 111.206 -178.033 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -68.08 175.46 28.0 Favored Glycine 0 C--O 1.237 0.327 0 CA-C-N 115.781 -0.645 . . . . 55.55 113.495 -172.805 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.628 ' H ' ' HA ' ' A' ' 30' ' ' LEU . 9.5 m -95.02 158.22 15.56 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.785 -0.45 . . . . 74.01 109.785 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.42 ' HB2' ' HB3' ' A' ' 48' ' ' GLN . 9.7 m120 -79.52 124.08 84.01 Favored Pre-proline 0 CA--C 1.534 0.328 0 N-CA-C 110.194 -0.298 . . . . 72.33 110.194 179.05 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -56.05 -51.39 9.64 Favored 'Trans proline' 0 CA--C 1.537 0.632 0 C-N-CA 122.872 2.381 . . . . 63.04 112.85 178.889 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -56.98 -38.35 72.91 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-O 121.257 0.551 . . . . 62.13 110.068 179.682 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.437 ' OE1' ' HB2' ' B' ' 21' ' ' SER . 0.9 OUTLIER -62.29 -40.54 96.61 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 115.56 -0.745 . . . . 72.35 109.898 176.358 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.482 HD12 ' HA3' ' B' ' 53' ' ' GLY . 2.6 tm? -62.14 -44.23 97.09 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.485 -0.561 . . . . 71.11 109.485 -178.521 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 54.6 t80 -63.61 -47.83 79.81 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.487 -0.324 . . . . 64.45 110.771 176.533 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.511 ' HB1' ' HB1' ' A' ' 81' ' ' ALA . . . -57.41 -52.72 64.21 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 116.21 -0.45 . . . . 52.03 110.988 -179.345 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.64 -35.3 79.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.893 -0.594 . . . . 51.43 110.513 179.467 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -63.57 -41.78 99.06 Favored Glycine 0 N--CA 1.449 -0.447 0 N-CA-C 111.624 -0.59 . . . . 45.35 111.624 175.793 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -60.46 -54.56 44.02 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.529 -0.545 . . . . 71.4 109.529 178.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 27.4 p -63.42 -37.83 88.79 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.251 -0.431 . . . . 50.31 111.038 -177.516 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.27 -42.45 88.44 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-O 121.01 0.433 . . . . 72.41 110.666 177.616 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 74.0 m -66.07 -36.44 83.21 Favored 'General case' 0 C--N 1.332 -0.163 0 N-CA-C 109.46 -0.571 . . . . 74.4 109.46 177.251 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 44.5 t80 -60.33 -33.29 72.19 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.208 -0.905 . . . . 64.12 110.462 -178.814 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -63.83 -56.5 14.94 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 115.895 -0.593 . . . . 74.12 109.586 179.351 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.522 ' O ' ' HB3' ' A' ' 63' ' ' LYS . 4.1 t -66.85 -28.19 68.15 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-N 116.127 -0.488 . . . . 74.4 109.963 -178.863 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.34 -45.9 82.36 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-N 116.172 -0.467 . . . . 64.15 109.982 176.196 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 75.0 mmm -61.8 -31.2 71.41 Favored 'General case' 0 N--CA 1.461 0.109 0 CA-C-N 115.868 -0.605 . . . . 61.32 110.316 176.488 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.522 ' HB3' ' O ' ' A' ' 60' ' ' SER . 23.4 ttmt -61.65 -51.97 66.29 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.622 -0.51 . . . . 62.32 109.622 174.017 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 45.2 t80 -57.71 -42.84 84.58 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 115.872 -0.604 . . . . 70.35 110.493 178.861 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 72.4 t -61.8 -50.42 80.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.109 -0.496 . . . . 51.41 110.717 178.155 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.531 ' HA ' ' HG3' ' A' ' 71' ' ' GLN . . . -60.34 -31.01 69.9 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.998 -0.546 . . . . 55.45 110.269 179.741 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -74.5 -27.0 66.34 Favored Glycine 0 N--CA 1.451 -0.326 0 CA-C-N 115.152 -0.931 . . . . 65.01 112.216 -176.533 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -95.24 -21.95 18.12 Favored 'General case' 0 CA--C 1.521 -0.141 0 N-CA-C 109.233 -0.654 . . . . 73.33 109.233 -179.259 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 24.2 m-80 -95.65 4.15 53.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.28 -0.873 . . . . 73.35 111.431 -179.366 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.424 ' N ' ' HD3' ' A' ' 70' ' ' LYS . 21.2 mmtm 58.86 30.64 20.37 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.678 -0.692 . . . . 70.5 110.598 173.302 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.531 ' HG3' ' HA ' ' A' ' 66' ' ' ALA . 2.9 pt20 -116.9 167.65 10.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.665 -0.698 . . . . 65.11 110.005 179.608 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 12.8 p -132.2 126.13 32.81 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.125 -0.489 . . . . 71.13 110.861 -177.116 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.411 ' HA ' ' HD3' ' A' ' 74' ' ' PRO . 0.2 OUTLIER -109.5 140.17 21.85 Favored Pre-proline 0 CA--C 1.535 0.377 0 CA-C-N 115.993 -0.549 . . . . 63.13 110.498 -179.696 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.506 ' HB2' ' HG2' ' A' ' 104' ' ' PRO . 52.6 Cg_exo -58.24 135.72 70.03 Favored 'Trans proline' 0 C--N 1.348 0.519 0 C-N-CA 123.161 2.574 . . . . 75.32 113.125 -178.503 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -77.18 1.29 18.81 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 120.962 0.411 . . . . 74.43 111.77 179.146 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -91.0 7.61 39.47 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.433 0.635 . . . . 72.44 110.42 179.192 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.506 ' HB ' HD12 ' A' ' 103' ' ' LEU . 8.1 t -77.11 159.24 29.94 Favored 'General case' 0 C--O 1.238 0.449 0 CA-C-N 115.59 -0.732 . . . . 73.42 111.742 -177.751 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 32.3 m -153.5 149.33 27.59 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.847 -0.615 . . . . 65.01 110.006 -179.395 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 90.9 t -127.35 133.41 68.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 N-CA-C 109.345 -0.613 . . . . 73.54 109.345 177.539 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.461 ' HB ' ' HB3' ' A' ' 100' ' ' ARG . 19.5 m -109.96 112.64 24.77 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.433 -0.349 . . . . 61.0 110.529 -179.181 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.511 ' HB1' ' HB1' ' A' ' 51' ' ' ALA . . . -93.52 109.2 20.81 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.999 -0.546 . . . . 75.0 109.775 176.023 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.451 ' HB3' ' HB3' ' A' ' 98' ' ' GLU . 31.3 tt0 -106.79 107.74 18.91 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.399 -0.593 . . . . 74.0 109.399 -178.392 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.588 HG23 HG22 ' A' ' 97' ' ' VAL . 10.9 p -109.53 140.31 28.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 120.922 0.392 . . . . 74.25 111.224 -175.163 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.446 ' HA2' ' HA ' ' B' ' 6' ' ' LYS . . . -145.47 170.0 26.9 Favored Glycine 0 N--CA 1.446 -0.654 0 CA-C-N 115.984 -0.553 . . . . 64.22 112.106 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.441 HD11 ' CD2' ' A' ' 93' ' ' PHE . 0.0 OUTLIER -145.94 135.61 17.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 N-CA-C 109.801 -0.444 . . . . 71.32 109.801 -178.044 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -143.99 169.94 26.03 Favored Glycine 0 CA--C 1.52 0.361 0 N-CA-C 111.226 -0.749 . . . . 64.2 111.226 178.145 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.692 ' HD3' ' HG ' ' B' ' 4' ' ' LEU . 58.8 Cg_endo -73.54 134.11 19.97 Favored 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.147 1.898 . . . . 75.13 112.145 -176.807 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 52.4 t-20 -87.18 142.71 27.71 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.384 -0.826 . . . . 63.43 109.636 -178.616 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -60.95 -17.93 54.29 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-O 121.08 0.467 . . . . 74.31 110.719 179.493 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -67.14 -23.78 65.83 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 115.478 -0.783 . . . . 62.35 110.463 176.869 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.21 32.32 4.35 Favored Glycine 0 N--CA 1.45 -0.4 0 CA-C-N 115.557 -0.747 . . . . 52.42 111.322 -175.54 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -146.18 -128.66 1.97 Allowed Glycine 0 N--CA 1.45 -0.408 0 N-CA-C 111.613 -0.595 . . . . 74.12 111.613 -178.784 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.441 ' CD2' HD11 ' A' ' 85' ' ' ILE . 45.1 m-85 -124.24 154.07 40.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.122 0.487 . . . . 72.25 111.114 -177.754 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -139.23 128.33 23.82 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.43 -0.805 . . . . 73.43 109.12 178.395 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -98.98 140.67 32.78 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 121.067 0.46 . . . . 75.45 111.387 -175.291 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -126.24 112.31 15.59 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.068 -0.969 . . . . 62.1 109.333 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.588 HG22 HG23 ' A' ' 83' ' ' VAL . 46.9 t -121.69 110.9 28.91 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.812 0 CA-C-O 120.893 0.377 . . . . 41.42 110.551 -177.165 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.451 ' HB3' ' HB3' ' A' ' 82' ' ' GLU . 34.7 tt0 -101.53 128.03 47.95 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 116.186 -0.461 . . . . 51.52 110.347 -177.746 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 91.5 mt -111.04 106.89 16.11 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-O 121.042 0.449 . . . . 73.33 110.053 179.296 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.502 ' HA ' HG13 ' A' ' 137' ' ' VAL . 57.5 ttt180 -101.85 107.75 19.03 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.229 -0.896 . . . . 73.43 109.835 -175.939 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 49.1 t -103.24 101.86 12.81 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.262 0 CA-C-O 120.39 0.138 . . . . 72.23 110.962 -171.547 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -97.46 101.5 13.05 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-O 120.79 0.329 . . . . 73.1 110.753 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.923 HD23 HD22 ' A' ' 106' ' ' LEU . 43.4 tp -113.6 116.28 45.98 Favored Pre-proline 0 C--N 1.329 -0.309 0 N-CA-C 109.059 -0.719 . . . . 73.31 109.059 178.675 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 104' ' ' PRO . . . . . 0.566 ' HD2' HD12 ' A' ' 103' ' ' LEU . 72.3 Cg_endo -76.24 155.6 37.33 Favored 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 122.517 2.144 . . . . 73.52 112.129 -175.813 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 71.18 15.27 74.47 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.805 -0.712 . . . . 54.45 112.026 -179.288 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.923 HD22 HD23 ' A' ' 103' ' ' LEU . 20.4 tp -121.67 143.72 49.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.995 0.426 . . . . 65.03 110.915 -175.239 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -78.99 147.22 32.99 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.741 -0.663 . . . . 72.42 110.505 173.924 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.58 ' O ' ' HG3' ' A' ' 112' ' ' LYS . . . -65.74 -42.93 90.38 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.735 0.303 . . . . 74.35 110.378 178.178 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -56.54 -42.3 78.27 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.987 -0.551 . . . . 64.13 110.653 178.13 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 0.547 ' O ' HG22 ' A' ' 113' ' ' THR . . . -73.07 -40.03 65.39 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.773 -0.649 . . . . 73.25 110.442 178.887 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -55.48 -40.65 71.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.916 -0.584 . . . . 54.13 110.623 179.305 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 112' ' ' LYS . . . . . 0.58 ' HG3' ' O ' ' A' ' 108' ' ' ALA . 65.3 mttm -51.13 -43.84 61.26 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.547 -0.751 . . . . 74.23 111.002 177.309 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 113' ' ' THR . . . . . 0.547 HG22 ' O ' ' A' ' 110' ' ' ALA . 1.1 t -81.41 -33.41 32.24 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.446 -0.343 . . . . 74.22 110.793 -175.935 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.445 ' HG ' ' O ' ' A' ' 110' ' ' ALA . 41.6 mt -64.85 -48.71 73.32 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.387 -0.369 . . . . 61.01 110.573 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.559 HG21 HG12 ' A' ' 138' ' ' VAL . 94.7 t -64.89 -35.64 75.75 Favored 'Isoleucine or valine' 0 C--O 1.241 0.617 0 CA-C-N 116.234 -0.439 . . . . 72.22 110.126 178.46 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 116' ' ' ASP . . . . . 0.542 ' O ' ' HB2' ' A' ' 120' ' ' HIS . 12.2 t70 -59.43 -61.28 2.74 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 115.728 -0.669 . . . . 63.5 110.192 177.939 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 117' ' ' ARG . . . . . 0.517 ' O ' HG22 ' A' ' 121' ' ' VAL . 10.1 ptm180 -61.52 -35.04 76.58 Favored 'General case' 0 CA--C 1.521 -0.164 0 CA-C-N 116.342 -0.39 . . . . 65.24 110.297 -176.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -56.51 -56.1 25.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.74 -0.663 . . . . 63.41 110.782 178.007 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 95.2 m-70 -76.41 -8.09 56.42 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 120.999 -0.28 . . . . 74.13 111.015 178.213 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 120' ' ' HIS . . . . . 0.542 ' HB2' ' O ' ' A' ' 116' ' ' ASP . 2.4 t-160 -86.11 -33.05 21.02 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.355 -0.384 . . . . 75.14 110.483 -177.85 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.517 HG22 ' O ' ' A' ' 117' ' ' ARG . 20.1 m -118.65 -11.8 11.0 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.429 0 N-CA-C 112.236 0.458 . . . . 74.54 112.236 -176.911 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 122' ' ' CYS . . . . . 0.516 ' SG ' HG23 ' A' ' 121' ' ' VAL . 42.9 m -137.56 66.36 50.01 Favored Pre-proline 0 N--CA 1.469 0.52 0 CA-C-O 120.89 0.376 . . . . 72.12 110.826 178.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_endo -102.72 163.97 0.28 Allowed 'Trans proline' 0 N--CA 1.456 -0.714 0 C-N-CA 123.317 2.678 . . . . 74.45 113.598 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -82.95 -168.15 1.95 Allowed 'General case' 0 C--O 1.237 0.403 0 N-CA-C 108.508 -0.923 . . . . 65.44 108.508 166.287 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 125' ' ' SER . . . . . 0.596 ' O ' HG22 ' A' ' 128' ' ' THR . 14.0 m -44.64 131.55 6.71 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-O 120.81 0.338 . . . . 62.44 111.075 179.805 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 126' ' ' ASN . . . . . 0.516 ' O ' ' HG2' ' A' ' 129' ' ' ARG . 46.0 m-20 -57.34 -42.3 81.68 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-O 121.524 0.678 . . . . 73.42 109.784 -177.771 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 127' ' ' ALA . . . . . 0.614 ' O ' ' HB3' ' A' ' 131' ' ' ASN . . . -75.28 6.35 4.53 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.318 -0.855 . . . . 54.1 112.211 -178.85 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 128' ' ' THR . . . . . 0.596 HG22 ' O ' ' A' ' 125' ' ' SER . 0.7 OUTLIER -108.44 -6.26 16.26 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 109.403 -0.592 . . . . 73.21 109.403 176.873 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 129' ' ' ARG . . . . . 0.516 ' HG2' ' O ' ' A' ' 126' ' ' ASN . 10.2 ptt180 -116.38 -42.07 3.06 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 115.918 -0.583 . . . . 72.04 110.649 178.755 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 53.0 m-80 -78.58 -56.51 4.37 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 116.38 -0.373 . . . . 71.52 110.916 176.395 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 131' ' ' ASN . . . . . 0.614 ' HB3' ' O ' ' A' ' 127' ' ' ALA . 54.0 t30 -63.32 -43.63 97.25 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 115.946 -0.57 . . . . 72.12 110.533 -178.12 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 41.0 t -88.39 125.92 41.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.594 -0.73 . . . . 70.22 109.189 176.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -68.18 93.32 0.44 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.301 0.572 . . . . 45.42 111.041 -174.879 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 134' ' ' VAL . . . . . 0.491 ' HA ' ' O ' ' A' ' 97' ' ' VAL . 59.3 t -98.99 124.35 52.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.458 -0.792 . . . . 75.02 110.766 177.556 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 11.3 tpt180 -95.87 113.43 25.05 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.432 -0.803 . . . . 72.41 109.896 -179.477 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 31.0 mt -89.83 115.95 27.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.861 0.363 . . . . 50.04 111.048 179.819 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 137' ' ' VAL . . . . . 0.502 HG13 ' HA ' ' A' ' 100' ' ' ARG . 0.2 OUTLIER -129.38 119.07 47.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 121.374 0.607 . . . . 74.42 110.444 -179.657 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 138' ' ' VAL . . . . . 0.559 HG12 HG21 ' A' ' 115' ' ' VAL . 3.0 m -95.42 139.01 19.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.751 -0.659 . . . . 53.11 110.269 -179.852 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.318 -0.777 0 CA-C-N 115.966 -0.561 . . . . 73.13 110.858 -176.488 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 26.8 ptm . . . . . 0 C--O 1.234 0.287 0 CA-C-O 121.186 0.517 . . . . 72.42 110.857 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 2' ' ' ASN . . . . . 0.57 ' O ' ' HD2' ' A' ' 87' ' ' PRO . 35.6 t30 -91.31 82.9 5.43 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.452 -0.795 . . . . 61.35 109.85 -179.517 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 3' ' ' ILE . . . . . 0.529 HG21 ' HB2' ' B' ' 6' ' ' LYS . 27.6 mm -73.52 129.17 36.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 116.087 -0.506 . . . . 72.42 111.537 179.575 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.692 ' HG ' ' HD3' ' A' ' 87' ' ' PRO . 84.2 mt -87.64 -43.28 12.07 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.523 -0.762 . . . . 75.25 109.803 174.042 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 5' ' ' TYR . . . . . . . . . . . . . 33.9 t80 -138.84 128.92 25.34 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 115.966 -0.561 . . . . 75.45 110.575 -177.931 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 6' ' ' LYS . . . . . 0.529 ' HB2' HG21 ' B' ' 3' ' ' ILE . 32.3 ttmt -138.61 142.81 39.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.952 0.406 . . . . 65.01 111.111 175.579 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 7.1 t -139.24 143.06 37.84 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.693 -0.685 . . . . 72.52 109.327 176.399 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 8' ' ' ALA . . . . . 0.429 ' O ' ' HB3' ' B' ' 22' ' ' HIS . . . -105.96 151.78 24.16 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.315 -0.402 . . . . 64.22 110.8 -177.638 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 9' ' ' ALA . . . . . 0.429 ' HA ' ' H ' ' B' ' 22' ' ' HIS . . . -137.96 123.1 19.21 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.171 -0.468 . . . . 31.45 110.187 177.31 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 5.2 t -99.55 110.82 23.24 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.466 0.65 . . . . 64.31 109.859 -179.235 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 11' ' ' SER . . . . . 0.437 ' HA ' ' HA ' ' B' ' 19' ' ' ALA . 20.9 p -101.87 113.53 26.81 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.881 -0.599 . . . . 74.14 110.41 178.352 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 2.6 m -95.11 155.68 16.63 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.863 -0.608 . . . . 53.42 110.831 -176.703 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -79.48 74.83 2.18 Favored Glycine 0 N--CA 1.448 -0.564 0 C-N-CA 121.005 -0.617 . . . . 71.12 112.413 176.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -66.97 -148.41 0.1 OUTLIER Glycine 0 CA--C 1.525 0.669 0 C-N-CA 121.102 -0.571 . . . . 73.4 112.213 173.679 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 15' ' ' ARG . . . . . 0.403 HH11 ' HD2' ' B' ' 15' ' ' ARG . 0.5 OUTLIER -56.31 -50.47 71.36 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.962 0.381 . . . . 65.14 110.706 178.515 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 16' ' ' ASP . . . . . 0.56 ' HB3' ' HA ' ' B' ' 31' ' ' SER . 24.8 t70 -125.87 -42.53 1.9 Allowed 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.314 -0.625 . . . . 65.33 109.314 173.711 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -166.14 155.76 27.22 Favored Glycine 0 N--CA 1.444 -0.805 0 C-N-CA 120.185 -1.007 . . . . 74.22 111.787 165.19 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 18' ' ' ARG . . . . . 0.511 ' HA ' ' HA ' ' B' ' 29' ' ' LYS . 39.0 ttp180 -135.86 137.7 41.74 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 108.831 -0.803 . . . . 74.4 108.831 174.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 19' ' ' ALA . . . . . 0.437 ' HA ' ' HA ' ' B' ' 11' ' ' SER . . . -134.15 124.08 25.46 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 123.213 0.32 . . . . 64.21 110.304 -176.063 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 41.3 m -130.84 113.5 14.15 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.4 -0.364 . . . . 75.11 110.41 179.856 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 21' ' ' SER . . . . . 0.553 ' HB3' ' N ' ' B' ' 26' ' ' LEU . 48.1 t -68.84 107.16 2.95 Favored 'General case' 0 C--O 1.248 0.981 0 N-CA-C 107.523 -1.288 . . . . 74.21 107.523 175.109 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 22' ' ' HIS . . . . . 0.447 ' C ' ' H ' ' B' ' 24' ' ' GLN . 1.8 t-80 -47.84 -35.37 10.14 Favored 'General case' 0 N--CA 1.466 0.375 0 O-C-N 126.099 2.124 . . . . 73.12 112.878 -168.537 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -80.38 25.59 0.4 Allowed 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.299 0.571 . . . . 63.54 110.531 -176.78 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 24' ' ' GLN . . . . . 0.447 ' H ' ' C ' ' B' ' 22' ' ' HIS . 27.4 mm-40 64.62 24.49 13.0 Favored 'General case' 0 CA--C 1.515 -0.37 0 CA-C-N 114.959 -1.018 . . . . 71.43 110.093 175.165 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 25' ' ' LYS . . . . . 0.564 ' HE2' ' HA ' ' B' ' 25' ' ' LYS . 9.8 mmpt? -85.47 -26.05 26.53 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 114.872 -1.058 . . . . 41.25 110.186 178.657 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 26' ' ' LEU . . . . . 0.553 ' N ' ' HB3' ' B' ' 21' ' ' SER . 41.6 tp -158.1 151.42 23.21 Favored 'General case' 0 CA--C 1.506 -0.725 0 C-N-CA 120.058 -0.657 . . . . 71.52 111.834 -179.502 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -161.09 90.77 0.84 Allowed 'General case' 0 N--CA 1.444 -0.726 0 CA-C-N 115.226 -0.897 . . . . 53.33 110.261 179.382 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 8.9 m -143.99 178.19 1.89 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.585 0 CA-C-O 121.326 0.584 . . . . 74.12 112.516 -177.885 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 29' ' ' LYS . . . . . 0.511 ' HA ' ' HA ' ' B' ' 18' ' ' ARG . 13.4 ttmt -127.24 144.92 50.94 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 114.698 -1.137 . . . . 64.31 109.703 178.425 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 30' ' ' LEU . . . . . 0.765 ' HA ' ' H ' ' B' ' 44' ' ' THR . 0.0 OUTLIER -125.95 160.25 30.49 Favored 'General case' 0 C--O 1.255 1.391 0 CA-C-O 121.002 0.43 . . . . 72.32 110.59 175.107 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 31' ' ' SER . . . . . 0.56 ' HA ' ' HB3' ' B' ' 16' ' ' ASP . 35.2 m -153.89 122.77 6.37 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 115.228 -0.896 . . . . 62.35 111.368 -175.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.33 133.36 93.2 Favored Pre-proline 0 C--O 1.241 0.628 0 CA-C-N 115.67 -0.696 . . . . 75.13 110.234 174.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 33' ' ' PRO . . . . . . . . . . . . . 10.7 Cg_endo -52.75 132.91 48.53 Favored 'Trans proline' 0 C--N 1.349 0.57 0 C-N-CA 122.735 2.29 . . . . 71.3 111.32 179.656 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 34' ' ' ARG . . . . . 0.452 ' NH1' ' HA2' ' B' ' 37' ' ' GLY . 0.1 OUTLIER -62.62 -13.86 36.48 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 116.429 -0.351 . . . . 71.43 110.38 -176.733 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -48.58 -44.1 36.51 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-O 121.277 0.561 . . . . 72.42 110.837 176.383 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 26.1 mt -99.33 18.48 17.56 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.279 -0.873 . . . . 63.52 110.592 -174.65 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 37' ' ' GLY . . . . . 0.452 ' HA2' ' NH1' ' B' ' 34' ' ' ARG . . . 72.48 33.74 60.89 Favored Glycine 0 N--CA 1.453 -0.216 0 N-CA-C 111.612 -0.595 . . . . 51.22 111.612 -177.214 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -75.24 -77.44 0.7 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 121.046 -0.597 . . . . 64.12 112.598 -176.292 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -166.71 -33.17 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.696 0.284 . . . . 71.25 111.405 -179.086 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 67.88 79.91 0.23 Allowed Glycine 0 C--N 1.334 0.44 0 C-N-CA 121.01 -0.614 . . . . 53.13 112.322 -177.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -148.81 179.2 8.02 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.707 0.289 . . . . 45.11 110.85 -178.721 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -80.11 5.11 15.21 Favored 'General case' 0 N--CA 1.466 0.364 0 N-CA-C 112.424 0.527 . . . . 74.14 112.424 -175.657 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -72.86 179.9 37.34 Favored Glycine 0 CA--C 1.521 0.451 0 C-N-CA 121.001 -0.619 . . . . 72.12 113.064 -177.443 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 44' ' ' THR . . . . . 0.765 ' H ' ' HA ' ' B' ' 30' ' ' LEU . 14.5 p -96.16 154.42 17.26 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 110.254 -0.276 . . . . 35.03 110.254 179.815 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 45' ' ' ASN . . . . . 0.649 ' HB2' ' HB3' ' B' ' 48' ' ' GLN . 1.7 m-20 -73.37 134.2 80.05 Favored Pre-proline 0 CA--C 1.538 0.506 0 N-CA-C 110.156 -0.313 . . . . 71.14 110.156 -177.211 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 46' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -60.39 -57.72 0.67 Allowed 'Trans proline' 0 C--N 1.355 0.888 0 C-N-CA 123.49 2.793 . . . . 54.41 113.663 -177.311 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 47' ' ' GLU . . . . . 0.541 ' OE1' ' HB3' ' B' ' 45' ' ' ASN . 0.0 OUTLIER -59.57 -35.31 74.02 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-O 121.071 0.462 . . . . 73.03 109.798 178.646 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 48' ' ' GLN . . . . . 0.649 ' HB3' ' HB2' ' B' ' 45' ' ' ASN . 0.8 OUTLIER -62.95 -38.45 91.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.651 -0.704 . . . . 65.22 110.118 173.354 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -62.82 -46.76 86.45 Favored 'General case' 0 C--O 1.235 0.31 0 N-CA-C 109.46 -0.57 . . . . 73.15 109.46 -178.363 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 27.9 t80 -62.3 -43.34 99.06 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 116.357 -0.383 . . . . 74.53 110.335 175.115 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.16 -45.03 79.84 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.11 -0.495 . . . . 63.22 110.989 177.301 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.54 -44.82 85.65 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.977 -0.556 . . . . 74.31 110.889 179.657 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 53' ' ' GLY . . . . . 0.482 ' HA3' HD12 ' A' ' 49' ' ' LEU . . . -61.06 -42.54 99.83 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.975 -0.631 . . . . 73.22 111.79 178.416 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 54' ' ' TYR . . . . . 0.551 ' HA ' ' SG ' ' B' ' 57' ' ' CYS . 0.8 OUTLIER -66.84 -52.2 46.54 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-O 120.841 0.353 . . . . 73.14 110.116 179.411 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 28.4 p -58.96 -37.97 78.01 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.488 -0.324 . . . . 71.55 110.736 -178.089 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 56' ' ' ALA . . . . . 0.535 ' HB1' HD21 ' A' ' 30' ' ' LEU . . . -73.08 -49.34 29.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.329 -0.396 . . . . 72.32 111.517 -179.343 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 57' ' ' CYS . . . . . 0.551 ' SG ' ' HA ' ' B' ' 54' ' ' TYR . 31.7 p -60.01 -36.26 76.84 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 116.376 -0.374 . . . . 72.4 110.357 -177.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 55.0 t80 -51.64 -34.1 36.41 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 115.839 -0.619 . . . . 52.32 111.122 -179.284 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -66.57 -48.93 68.06 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 120.694 0.283 . . . . 64.41 110.763 178.673 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 7.4 m -64.33 -44.37 91.76 Favored 'General case' 0 C--O 1.243 0.717 0 CA-C-O 121.548 0.689 . . . . 73.23 110.212 -179.655 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 61' ' ' ALA . . . . . 0.404 ' O ' HG23 ' B' ' 65' ' ' VAL . . . -59.37 -40.86 87.84 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.379 -0.828 . . . . 44.1 110.015 177.5 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 62' ' ' MET . . . . . 0.507 ' HG3' HD23 ' B' ' 73' ' ' LEU . 15.5 tpt -66.18 -32.76 74.4 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-N 115.895 -0.593 . . . . 71.0 110.318 179.02 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 63' ' ' LYS . . . . . 0.54 ' HA ' HD21 ' B' ' 73' ' ' LEU . 57.8 mttp -62.0 -48.08 81.93 Favored 'General case' 0 C--O 1.233 0.22 0 N-CA-C 109.631 -0.507 . . . . 72.03 109.631 174.583 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 58.9 t80 -56.52 -42.41 78.36 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 115.959 -0.564 . . . . 73.11 110.056 176.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 65' ' ' VAL . . . . . 0.404 HG23 ' O ' ' B' ' 61' ' ' ALA . 66.8 t -57.44 -51.55 68.28 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.145 0 CA-C-N 116.014 -0.539 . . . . 75.05 110.312 176.776 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 66' ' ' ALA . . . . . 0.474 ' HA ' ' HG3' ' B' ' 71' ' ' GLN . . . -57.77 -30.36 65.58 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.087 0.47 . . . . 74.13 110.477 179.078 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -70.68 -30.64 68.32 Favored Glycine 0 N--CA 1.45 -0.393 0 CA-C-N 115.447 -0.797 . . . . 75.04 112.46 -178.09 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -96.33 -17.63 20.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.489 0.662 . . . . 64.5 109.388 -178.723 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 69' ' ' ASN . . . . . 0.412 ' CB ' ' HG2' ' B' ' 71' ' ' GLN . 31.6 m-80 -97.96 -4.78 35.6 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.337 -0.847 . . . . 65.21 111.377 179.594 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 10.7 mptt 56.67 30.91 18.33 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-O 121.349 0.595 . . . . 73.12 111.147 177.198 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 71' ' ' GLN . . . . . 0.474 ' HG3' ' HA ' ' B' ' 66' ' ' ALA . 0.9 OUTLIER -111.82 168.83 9.26 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.519 -0.764 . . . . 74.24 110.589 -178.007 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 20.7 p -115.2 133.55 55.94 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.793 -0.64 . . . . 74.12 110.807 -179.199 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 73' ' ' LEU . . . . . 0.54 HD21 ' HA ' ' B' ' 63' ' ' LYS . 0.2 OUTLIER -109.44 149.66 40.1 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 75.15 110.996 179.362 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 74' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -79.43 127.58 7.44 Favored 'Trans proline' 0 CA--C 1.532 0.425 0 C-N-CA 122.766 2.311 . . . . 62.01 112.141 176.058 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -76.9 -6.82 54.0 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 121.235 0.541 . . . . 71.53 110.716 177.39 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -81.74 3.99 23.61 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 115.601 -0.727 . . . . 60.22 110.862 -179.027 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 77' ' ' THR . . . . . . . . . . . . . 8.8 t -81.67 167.76 18.83 Favored 'General case' 0 C--O 1.238 0.47 0 CA-C-N 115.876 -0.602 . . . . 73.25 111.998 -174.446 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 78' ' ' THR . . . . . 0.64 HG22 ' HA ' ' A' ' 12' ' ' THR . 0.9 OUTLIER -152.06 149.33 28.71 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 115.178 -0.919 . . . . 71.23 110.154 -179.611 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 75.0 t -133.64 112.65 17.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 121.277 0.561 . . . . 54.24 109.814 176.328 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 80' ' ' THR . . . . . 0.472 ' HA ' ' HA ' ' A' ' 10' ' ' THR . 27.0 m -102.45 110.58 22.57 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 115.898 -0.592 . . . . 72.42 110.5 -177.635 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -92.9 104.62 16.84 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.988 -0.551 . . . . 73.43 109.774 -179.765 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 82' ' ' GLU . . . . . 0.484 ' HA ' ' HA ' ' A' ' 8' ' ' ALA . 28.3 tt0 -104.18 107.64 18.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 71.23 109.869 -178.323 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 83' ' ' VAL . . . . . 0.45 HG12 HG22 ' B' ' 97' ' ' VAL . 29.9 m -103.35 146.25 11.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.98 -0.554 . . . . 71.44 110.894 -175.658 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 84' ' ' GLY . . . . . 0.43 ' HA2' ' HA ' ' A' ' 6' ' ' LYS . . . -134.77 159.97 24.1 Favored Glycine 0 N--CA 1.441 -0.986 0 N-CA-C 111.359 -0.696 . . . . 52.45 111.359 176.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -140.88 130.09 25.32 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.82 0 N-CA-C 109.271 -0.64 . . . . 73.1 109.271 -178.361 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 86' ' ' GLY . . . . . 0.718 ' HA2' ' HG ' ' A' ' 4' ' ' LEU . . . -148.0 169.81 28.7 Favored Glycine 0 N--CA 1.45 -0.385 0 O-C-N 124.343 1.027 . . . . 52.3 110.947 -178.907 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 87' ' ' PRO . . . . . 0.575 ' HD3' ' HG ' ' A' ' 4' ' ' LEU . 1.1 Cg_endo -81.65 123.15 4.16 Favored 'Trans proline' 0 N--CA 1.455 -0.784 0 C-N-CA 122.81 2.34 . . . . 61.3 111.608 -178.04 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 88' ' ' ASN . . . . . . . . . . . . . 50.4 t-20 -71.95 135.7 46.55 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 108.81 -0.811 . . . . 72.3 108.81 176.068 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -60.54 -16.74 40.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 123.268 0.355 . . . . 65.22 111.234 -178.065 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -67.33 -17.76 64.89 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-O 121.353 0.597 . . . . 74.05 110.62 176.332 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.59 35.26 3.34 Favored Glycine 0 N--CA 1.453 -0.21 0 CA-C-N 115.792 -0.64 . . . . 72.2 112.252 -179.398 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . -144.7 -154.42 6.13 Favored Glycine 0 N--CA 1.452 -0.256 0 N-CA-C 111.356 -0.698 . . . . 70.13 111.356 177.897 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 93' ' ' PHE . . . . . . . . . . . . . 65.4 m-85 -106.2 165.72 11.03 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.966 0.383 . . . . 73.12 110.191 176.052 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 94' ' ' ALA . . . . . 0.402 ' HB3' ' HE1' ' A' ' 1' ' ' MET . . . -149.29 133.21 17.07 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.178 -0.465 . . . . 62.21 110.041 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -101.72 121.14 41.5 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.997 -0.547 . . . . 74.21 110.124 179.208 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 96' ' ' ASP . . . . . 0.491 ' HB3' HD11 ' A' ' 3' ' ' ILE . 34.2 t70 -111.06 110.1 20.49 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.491 -0.777 . . . . 73.53 109.009 178.537 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 97' ' ' VAL . . . . . 0.884 ' HB ' HG22 ' B' ' 134' ' ' VAL . 61.0 t -111.08 110.89 33.87 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.779 0 C-N-CA 120.874 -0.33 . . . . 65.34 111.414 -173.825 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 98' ' ' GLU . . . . . 0.477 ' HG2' ' HB3' ' B' ' 135' ' ' ARG . 44.4 mt-10 -93.18 105.15 17.27 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.275 -0.639 . . . . 74.42 109.275 173.664 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 20.9 tp -93.73 109.2 20.87 Favored 'General case' 0 C--O 1.239 0.546 0 N-CA-C 109.377 -0.601 . . . . 61.12 109.377 -177.627 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 100' ' ' ARG . . . . . 0.551 ' HA ' ' O ' ' B' ' 137' ' ' VAL . 22.9 ttt180 -99.55 128.83 45.67 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.209 -0.905 . . . . 64.11 110.328 -173.04 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 101' ' ' VAL . . . . . . . . . . . . . 88.9 t -121.42 108.35 22.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.284 -0.417 . . . . 60.12 111.234 -174.567 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -99.35 101.34 12.59 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.635 -0.506 . . . . 53.32 109.635 175.131 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 103' ' ' LEU . . . . . 0.55 HD12 ' HD2' ' B' ' 104' ' ' PRO . 19.5 tp -121.41 109.0 35.15 Favored Pre-proline 0 CA--C 1.533 0.301 0 N-CA-C 109.719 -0.475 . . . . 72.24 109.719 -175.389 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 104' ' ' PRO . . . . . 0.55 ' HD2' HD12 ' B' ' 103' ' ' LEU . 81.3 Cg_endo -74.94 156.57 43.26 Favored 'Trans proline' 0 C--N 1.348 0.511 0 C-N-CA 123.037 2.492 . . . . 74.24 112.583 -173.412 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 105' ' ' GLY . . . . . . . . . . . . . . . 72.89 15.13 78.28 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.845 -0.693 . . . . 72.34 111.982 -179.615 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 106' ' ' LEU . . . . . 0.504 ' CD2' HD23 ' B' ' 103' ' ' LEU . 20.2 tp -138.12 139.58 39.51 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 122.737 0.415 . . . . 60.53 110.818 -175.572 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -73.18 143.41 47.22 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-N 115.9 -0.591 . . . . 63.12 110.166 175.922 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -64.4 -39.46 93.9 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.021 0.438 . . . . 34.32 110.589 177.201 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -56.77 -45.88 81.82 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.969 -0.559 . . . . 64.51 110.636 179.203 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 110' ' ' ALA . . . . . 0.594 ' O ' HG22 ' B' ' 113' ' ' THR . . . -74.09 -38.54 63.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.968 -0.56 . . . . 72.03 110.045 178.342 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -56.78 -34.61 67.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.759 -0.655 . . . . 64.14 111.088 -179.265 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 112' ' ' LYS . . . . . . . . . . . . . 55.9 mttp -54.17 -49.33 69.53 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 116.446 -0.343 . . . . 74.45 110.874 176.767 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 113' ' ' THR . . . . . 0.594 HG22 ' O ' ' B' ' 110' ' ' ALA . 2.6 t -74.58 -36.3 63.04 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-O 120.854 0.359 . . . . 72.03 110.527 -176.749 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 114' ' ' LEU . . . . . 0.461 ' HG ' ' O ' ' B' ' 110' ' ' ALA . 46.0 mt -64.25 -50.06 69.44 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 115.999 -0.546 . . . . 70.23 110.786 -178.815 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 115' ' ' VAL . . . . . . . . . . . . . 96.8 t -62.36 -37.39 78.56 Favored 'Isoleucine or valine' 0 C--O 1.24 0.59 0 CA-C-O 121.088 0.471 . . . . 63.55 109.87 178.478 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -59.85 -59.64 5.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.418 -0.81 . . . . 75.43 110.838 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 117' ' ' ARG . . . . . . . . . . . . . 14.2 ptm180 -64.15 -34.09 77.27 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 121.132 0.491 . . . . 70.2 110.198 -177.114 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -58.66 -38.98 79.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.614 -0.721 . . . . 61.11 109.695 174.373 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 119' ' ' HIS . . . . . 0.539 ' HB3' ' HD2' ' B' ' 129' ' ' ARG . 15.3 m80 -71.24 6.55 1.65 Allowed 'General case' 0 CA--C 1.533 0.298 0 N-CA-C 112.732 0.642 . . . . 74.31 112.732 177.366 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 19.3 t-80 -108.45 -38.25 5.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.603 0.239 . . . . 61.52 110.965 173.639 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 33.2 m -76.87 -30.45 18.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 N-CA-C 112.412 0.523 . . . . 63.42 112.412 -172.293 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 122' ' ' CYS . . . . . 0.401 ' HA ' ' HD3' ' B' ' 123' ' ' PRO . 23.2 p -106.38 141.69 23.31 Favored Pre-proline 0 C--O 1.237 0.424 0 CA-C-O 120.609 0.242 . . . . 74.53 111.597 -174.865 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 123' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' B' ' 122' ' ' CYS . 32.5 Cg_exo -58.8 169.05 3.65 Favored 'Trans proline' 0 C--N 1.354 0.83 0 C-N-CA 122.961 2.441 . . . . 65.25 111.368 174.034 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 124' ' ' TYR . . . . . . . . . . . . . 43.7 m-85 . . . . . 0 N--CA 1.47 0.528 0 C-N-CA 123.068 0.547 . . . . 65.35 109.527 -172.843 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 128' ' ' THR . . . . . 0.552 ' OG1' HG21 ' B' ' 134' ' ' VAL . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.282 0 CA-C-O 120.883 0.373 . . . . 55.14 110.252 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 129' ' ' ARG . . . . . 0.539 ' HD2' ' HB3' ' B' ' 119' ' ' HIS . 15.6 ptm180 -109.02 -51.47 2.88 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 116.688 -0.233 . . . . 75.21 110.5 -174.329 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 130' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -78.77 -52.89 7.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.984 0.421 . . . . 74.14 110.962 175.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 131' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -66.94 -43.95 81.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.747 -0.661 . . . . 75.43 110.978 -175.653 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 132' ' ' VAL . . . . . 0.406 HG12 ' N ' ' B' ' 133' ' ' ALA . 23.4 t -119.88 160.3 20.32 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.317 0 CA-C-N 116.24 -0.436 . . . . 52.13 111.209 -169.46 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 133' ' ' ALA . . . . . 0.406 ' N ' HG12 ' B' ' 132' ' ' VAL . . . -89.52 95.87 10.46 Favored 'General case' 0 C--O 1.244 0.776 0 CA-C-O 121.744 0.783 . . . . 72.23 111.12 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 134' ' ' VAL . . . . . 0.884 HG22 ' HB ' ' B' ' 97' ' ' VAL . 71.0 t -125.94 109.3 21.18 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.448 0 CA-C-N 115.038 -0.983 . . . . 61.1 110.867 -179.344 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 135' ' ' ARG . . . . . 0.477 ' HB3' ' HG2' ' B' ' 98' ' ' GLU . 27.2 tpt180 -70.96 110.94 5.97 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.549 -0.75 . . . . 74.32 109.575 175.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 136' ' ' LEU . . . . . 0.41 HD23 ' HA ' ' B' ' 136' ' ' LEU . 44.1 mt -79.87 107.45 12.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.178 -0.465 . . . . 72.41 110.325 177.626 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 137' ' ' VAL . . . . . 0.551 ' O ' ' HA ' ' B' ' 100' ' ' ARG . 0.3 OUTLIER -118.07 112.2 37.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.416 -0.811 . . . . 72.22 110.142 -178.118 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 138' ' ' VAL . . . . . . . . . . . . . 3.2 m -103.0 138.11 28.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.766 -0.652 . . . . 70.52 109.643 -178.236 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 139' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.301 0 CA-C-N 115.367 -0.833 . . . . 71.35 111.666 -171.489 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.5 ptm . . . . . 0 N--CA 1.486 1.335 0 N-CA-C 109.835 -0.432 . . . . 71.43 109.835 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 55.0 t30 -98.05 85.19 3.43 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.211 0.529 . . . . 75.52 109.887 -179.497 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.55 HG21 ' HB2' ' A' ' 6' ' ' LYS . 33.3 mm -70.09 126.06 29.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.572 -0.74 . . . . 51.02 111.717 -179.105 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.662 ' HG ' ' HD3' ' B' ' 87' ' ' PRO . 87.2 mt -81.27 -42.29 20.87 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.599 -0.728 . . . . 74.21 109.833 175.674 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 48.7 t80 -142.19 132.11 24.39 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 116.052 -0.522 . . . . 54.43 110.553 -178.476 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.55 ' HB2' HG21 ' A' ' 3' ' ' ILE . 27.6 ttmt -137.6 144.45 41.99 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.892 0.377 . . . . 62.42 110.159 176.905 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.644 HG21 HD21 ' B' ' 45' ' ' ASN . 10.9 t -142.84 143.53 32.15 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.662 -0.699 . . . . 73.02 109.995 -177.761 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.52 ' HA ' ' HA ' ' B' ' 82' ' ' GLU . . . -111.6 136.42 50.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 64.34 110.723 -177.278 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.54 ' HA ' ' HA ' ' A' ' 21' ' ' SER . . . -130.14 117.05 19.34 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.075 -0.512 . . . . 65.14 109.705 175.409 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.538 ' HA ' ' HA ' ' B' ' 80' ' ' THR . 6.5 t -95.38 129.58 42.48 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.053 0.454 . . . . 73.43 109.839 -177.612 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.405 ' HA ' ' O ' ' A' ' 18' ' ' ARG . 83.6 p -114.26 113.56 24.78 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.955 -0.566 . . . . 71.32 109.882 -179.639 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 5.0 m -107.07 160.17 15.75 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 116.202 -0.454 . . . . 72.12 110.858 -175.566 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -81.4 75.57 2.29 Favored Glycine 0 N--CA 1.446 -0.649 0 C-N-CA 120.661 -0.78 . . . . 62.44 111.954 175.082 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -59.82 -105.43 0.01 OUTLIER Glycine 0 C--N 1.342 0.878 0 C-N-CA 121.114 -0.565 . . . . 62.02 112.633 175.292 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 27.2 mmm180 -88.95 -48.68 7.27 Favored 'General case' 0 N--CA 1.465 0.295 0 O-C-N 122.356 -0.496 . . . . 73.04 110.333 175.355 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -125.65 -42.76 1.91 Allowed 'General case' 0 C--O 1.236 0.353 0 N-CA-C 108.906 -0.776 . . . . 74.22 108.906 170.059 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -161.84 161.47 33.33 Favored Glycine 0 N--CA 1.444 -0.801 0 N-CA-C 111.025 -0.83 . . . . 73.12 111.025 166.568 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.497 ' HA ' ' HA ' ' A' ' 29' ' ' LYS . 55.5 ttp180 -141.66 144.41 34.12 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 109.774 -0.454 . . . . 73.24 109.774 177.463 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.609 ' HB1' ' HB1' ' B' ' 52' ' ' ALA . . . -130.49 123.87 30.68 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.545 -0.539 . . . . 71.12 109.545 178.936 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.436 HG23 ' HB2' ' A' ' 27' ' ' ASP . 24.5 m -137.5 111.35 8.24 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.185 -0.461 . . . . 63.53 110.701 -175.457 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.54 ' HA ' ' HA ' ' A' ' 9' ' ' ALA . 46.1 t -72.3 109.03 5.75 Favored 'General case' 0 C--O 1.244 0.792 0 N-CA-C 107.64 -1.244 . . . . 62.3 107.64 175.717 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.401 ' C ' ' H ' ' A' ' 24' ' ' GLN . 85.0 t60 -54.1 -20.18 6.16 Favored 'General case' 0 N--CA 1.467 0.412 0 O-C-N 125.94 2.025 . . . . 71.44 112.636 -169.036 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.536 ' HB2' ' HE2' ' A' ' 25' ' ' LYS . 4.5 m-20 -80.28 16.08 1.39 Allowed 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.784 -0.45 . . . . 73.43 109.784 177.798 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.401 ' H ' ' C ' ' A' ' 22' ' ' HIS . 32.5 mm-40 64.86 16.01 10.22 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 115.395 -0.821 . . . . 72.53 110.321 -179.252 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.536 ' HE2' ' HB2' ' A' ' 23' ' ' ASP . 55.8 mtmt -84.33 -18.66 35.55 Favored 'General case' 0 N--CA 1.451 -0.425 0 CA-C-N 115.639 -0.71 . . . . 73.44 110.605 -179.488 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.54 ' N ' ' HB3' ' A' ' 21' ' ' SER . 55.7 tp -150.13 145.29 26.23 Favored 'General case' 0 C--N 1.342 0.258 0 C-N-CA 120.181 -0.608 . . . . 74.42 111.113 175.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.436 ' HB2' HG23 ' A' ' 20' ' ' THR . 18.7 t70 -162.85 95.39 0.88 Allowed 'General case' 0 C--O 1.233 0.232 0 O-C-N 123.636 0.585 . . . . 74.13 110.152 174.417 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.493 ' O ' ' HG3' ' A' ' 18' ' ' ARG . 3.4 m -145.35 176.59 1.96 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.504 0 CA-C-N 116.035 -0.529 . . . . 62.12 111.018 178.077 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.497 ' HA ' ' HA ' ' A' ' 18' ' ' ARG . 0.8 OUTLIER -125.86 144.16 50.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.809 -0.632 . . . . 62.42 110.314 -177.876 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.878 ' HA ' ' H ' ' A' ' 44' ' ' THR . 0.0 OUTLIER -128.55 167.65 16.82 Favored 'General case' 0 C--O 1.252 1.189 0 CA-C-O 121.065 0.459 . . . . 64.12 110.777 177.993 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.427 ' OG ' ' HB3' ' A' ' 41' ' ' ALA . 34.7 m -149.62 137.98 20.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.253 -0.885 . . . . 75.34 110.82 -175.406 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -76.1 131.31 75.91 Favored Pre-proline 0 C--O 1.24 0.588 0 CA-C-N 116.052 -0.522 . . . . 52.21 110.468 176.637 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.465 ' HG3' ' ND2' ' A' ' 45' ' ' ASN . 54.3 Cg_exo -52.14 119.58 5.99 Favored 'Trans proline' 0 C--N 1.35 0.646 0 C-N-CA 122.885 2.39 . . . . 73.33 111.835 178.752 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.593 ' HB2' ' N ' ' A' ' 40' ' ' GLY . 39.4 ttt85 -67.71 -16.0 63.92 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.821 0.343 . . . . 50.12 110.604 -176.2 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 51.2 mm-40 -49.73 -34.7 19.72 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 115.677 -0.692 . . . . 75.14 110.54 173.587 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 26.8 mt -101.05 11.68 39.11 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.176 -0.92 . . . . 63.44 110.816 -172.411 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 90.61 55.67 1.88 Allowed Glycine 0 C--N 1.332 0.328 0 CA-C-N 115.907 -0.588 . . . . 72.22 112.626 178.523 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.485 ' H ' ' HA ' ' A' ' 34' ' ' ARG . . . -133.34 -136.97 3.8 Favored Glycine 0 N--CA 1.452 -0.258 0 N-CA-C 111.884 -0.486 . . . . 73.44 111.884 -178.766 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -105.25 -29.74 10.12 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 111.626 0.232 . . . . 63.22 111.626 -175.613 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.593 ' N ' ' HB2' ' A' ' 34' ' ' ARG . . . 53.06 39.66 57.72 Favored Glycine 0 CA--C 1.521 0.418 0 C-N-CA 121.32 -0.466 . . . . 45.53 113.198 -175.517 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.427 ' HB3' ' OG ' ' A' ' 31' ' ' SER . . . -78.52 163.15 25.8 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 110.152 -0.314 . . . . 44.21 110.152 178.12 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -75.22 67.98 1.91 Allowed 'General case' 0 C--O 1.234 0.266 0 CA-C-O 121.444 0.64 . . . . 71.23 111.096 -178.872 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -125.62 -165.71 12.13 Favored Glycine 0 N--CA 1.448 -0.511 0 CA-C-N 115.753 -0.658 . . . . 55.55 112.186 179.366 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.878 ' H ' ' HA ' ' A' ' 30' ' ' LEU . 40.1 m -91.83 146.06 24.06 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.989 -0.375 . . . . 74.01 109.989 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.554 ' HB2' ' HB3' ' A' ' 48' ' ' GLN . 12.7 m120 -77.83 117.85 68.41 Favored Pre-proline 0 C--N 1.328 -0.336 0 N-CA-C 109.951 -0.389 . . . . 72.33 109.951 176.178 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 86.6 Cg_exo -47.17 -42.93 26.4 Favored 'Trans proline' 0 C--N 1.348 0.542 0 C-N-CA 122.516 2.144 . . . . 63.04 111.823 174.464 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.467 ' CD ' ' H ' ' A' ' 47' ' ' GLU . 1.9 mp0 -59.41 -50.44 73.94 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 115.599 -0.728 . . . . 62.13 109.523 178.334 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.554 ' HB3' ' HB2' ' A' ' 45' ' ' ASN . 0.9 OUTLIER -63.4 -34.31 77.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 114.989 -1.005 . . . . 72.35 110.967 -178.037 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.601 HD12 ' HA3' ' B' ' 53' ' ' GLY . 2.8 tm? -67.67 -52.76 34.22 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.528 -0.545 . . . . 71.11 109.528 -178.531 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 53.6 t80 -59.81 -45.69 91.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.027 -0.533 . . . . 64.45 110.611 178.01 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.418 ' HB2' HG11 ' A' ' 83' ' ' VAL . . . -51.7 -53.05 43.33 Favored 'General case' 0 C--O 1.238 0.474 0 CA-C-N 115.964 -0.562 . . . . 52.03 111.316 176.476 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.47 ' HB1' ' HB1' ' B' ' 19' ' ' ALA . . . -59.82 -48.13 82.94 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.576 -0.738 . . . . 51.43 111.174 -179.04 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.405 ' HA3' HD12 ' B' ' 49' ' ' LEU . . . -65.63 -38.05 94.21 Favored Glycine 0 CA--C 1.518 0.241 0 C-N-CA 121.061 -0.59 . . . . 45.35 112.708 -178.906 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.588 ' HA ' ' SG ' ' A' ' 57' ' ' CYS . 1.7 t80 -66.59 -45.01 80.61 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.215 0.531 . . . . 71.4 110.253 -178.795 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.678 ' OG ' ' HB2' ' A' ' 81' ' ' ALA . 24.0 m -68.52 -47.78 66.06 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.211 -0.449 . . . . 50.31 109.918 178.405 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.427 ' HB2' ' HB2' ' B' ' 19' ' ' ALA . . . -56.52 -38.53 71.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.986 -0.552 . . . . 72.41 110.81 179.458 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.588 ' SG ' ' HA ' ' A' ' 54' ' ' TYR . 29.7 p -73.59 -35.87 65.47 Favored 'General case' 0 N--CA 1.453 -0.317 0 N-CA-C 109.808 -0.442 . . . . 74.4 109.808 177.644 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 12.0 t80 -60.0 -35.57 75.33 Favored 'General case' 0 CA--C 1.533 0.32 0 N-CA-C 110.022 -0.362 . . . . 64.12 110.022 -179.435 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -62.26 -59.0 5.65 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 116.292 -0.413 . . . . 74.12 110.556 175.163 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.515 ' HA ' ' HD3' ' A' ' 63' ' ' LYS . 18.0 t -60.05 -32.97 71.43 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-O 121.007 0.432 . . . . 74.4 110.362 -178.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.427 ' O ' HG23 ' A' ' 65' ' ' VAL . . . -65.29 -44.72 87.05 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.03 -0.532 . . . . 64.15 109.905 177.475 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.45 -33.33 74.62 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.973 -0.558 . . . . 61.32 110.498 176.527 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.515 ' HD3' ' HA ' ' A' ' 60' ' ' SER . 9.3 mtpm? -66.09 -48.19 71.77 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.23 -0.441 . . . . 62.32 110.266 177.393 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 57.2 t80 -62.93 -45.88 90.39 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 116.146 -0.479 . . . . 70.35 110.289 177.806 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.427 HG23 ' O ' ' A' ' 61' ' ' ALA . 47.1 t -56.63 -50.74 72.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.887 -0.597 . . . . 51.41 110.34 177.17 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -57.37 -34.43 68.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.159 0.504 . . . . 55.45 110.167 179.075 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -67.23 -33.92 84.22 Favored Glycine 0 N--CA 1.448 -0.562 0 CA-C-N 115.093 -0.958 . . . . 65.01 111.951 -177.687 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -96.28 -11.64 25.66 Favored 'General case' 0 C--O 1.224 -0.268 0 N-CA-C 109.473 -0.565 . . . . 73.33 109.473 -179.012 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -96.26 0.15 50.52 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.686 -0.688 . . . . 73.35 111.053 178.896 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 22.9 mmtm 61.13 31.5 19.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.371 -0.831 . . . . 70.5 110.619 174.311 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -122.97 167.69 13.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.485 . . . . 65.11 110.704 -178.181 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 36.3 p -119.69 142.28 48.63 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.793 -0.64 . . . . 71.13 110.292 178.171 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 98.1 mt -109.28 143.91 28.68 Favored Pre-proline 0 C--N 1.326 -0.439 0 CA-C-N 116.282 -0.417 . . . . 63.13 110.375 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.509 ' O ' HG22 ' A' ' 77' ' ' THR . 43.5 Cg_exo -58.56 134.76 63.07 Favored 'Trans proline' 0 C--N 1.348 0.505 0 C-N-CA 123.027 2.484 . . . . 75.32 112.092 178.593 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -77.19 -1.93 31.96 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.692 0.627 . . . . 74.43 112.692 -176.57 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -106.54 8.02 31.12 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-O 121.216 0.532 . . . . 72.44 111.133 -177.785 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.509 HG22 ' O ' ' A' ' 74' ' ' PRO . 9.9 t -74.76 153.76 38.65 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-O 121.259 0.552 . . . . 73.42 111.454 -176.689 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 26.9 m -151.96 150.59 30.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.823 -0.626 . . . . 65.01 110.306 -177.16 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 82.0 t -125.94 128.16 71.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 N-CA-C 109.887 -0.412 . . . . 73.54 109.887 176.191 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 87.0 m -112.6 117.17 31.55 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 110.205 -0.295 . . . . 61.0 110.205 177.002 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.678 ' HB2' ' OG ' ' A' ' 55' ' ' SER . . . -93.22 117.21 29.81 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.173 -0.467 . . . . 75.0 109.984 178.037 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.6 ' HG2' ' HD3' ' B' ' 6' ' ' LYS . 30.9 tt0 -112.71 107.34 15.97 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 107.76 -1.2 . . . . 74.0 107.76 178.139 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.418 HG11 ' HB2' ' A' ' 51' ' ' ALA . 14.4 m -109.8 139.27 33.67 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-N 116.095 -0.502 . . . . 74.25 111.186 -171.679 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.425 ' HA2' ' HA ' ' B' ' 6' ' ' LYS . . . -138.32 161.8 25.68 Favored Glycine 0 N--CA 1.437 -1.3 0 CA-C-N 115.526 -0.761 . . . . 64.22 111.663 179.286 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -134.13 129.88 54.25 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.914 0 N-CA-C 108.832 -0.803 . . . . 71.32 108.832 178.037 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' GLY . . . . . 0.408 ' HA2' ' HG ' ' B' ' 4' ' ' LEU . . . -144.59 169.65 26.44 Favored Glycine 0 N--CA 1.453 -0.178 0 CA-C-N 115.495 -0.775 . . . . 64.2 111.366 179.7 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.701 ' HD3' ' HG ' ' B' ' 4' ' ' LEU . 61.8 Cg_endo -90.31 138.36 2.72 Favored 'Trans proline' 0 N--CA 1.452 -0.97 0 C-N-CA 122.827 2.351 . . . . 75.13 112.342 -178.648 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -94.74 147.87 22.87 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.789 -0.641 . . . . 63.43 109.569 178.205 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -63.37 -15.04 56.29 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.0 0.37 . . . . 74.31 112.0 -177.05 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -70.14 -21.46 63.08 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-O 121.034 0.445 . . . . 62.35 110.721 175.197 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.35 35.42 3.36 Favored Glycine 0 CA--C 1.518 0.257 0 CA-C-N 116.124 -0.489 . . . . 52.42 112.966 178.308 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -141.06 -172.62 13.15 Favored Glycine 0 C--N 1.33 0.217 0 N-CA-C 111.173 -0.771 . . . . 74.12 111.173 176.853 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 29.4 m-85 -97.9 155.85 16.88 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 117.25 0.525 . . . . 72.25 110.243 176.543 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.446 ' HB3' ' HE1' ' B' ' 1' ' ' MET . . . -139.48 127.47 22.27 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.003 -0.544 . . . . 73.43 109.876 -177.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -97.27 125.33 41.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.995 -0.548 . . . . 75.45 110.418 -179.601 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -110.11 113.1 25.53 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.097 -0.956 . . . . 62.1 109.613 178.606 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 60.4 t -107.79 110.58 32.42 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.107 0 N-CA-C 109.542 -0.54 . . . . 41.42 109.542 177.619 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -98.7 102.28 13.96 Favored 'General case' 0 C--N 1.315 -0.899 0 N-CA-C 109.506 -0.553 . . . . 51.52 109.506 -177.775 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.435 ' HB2' HD23 ' A' ' 136' ' ' LEU . 88.9 mt -93.81 107.83 19.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.268 -0.423 . . . . 73.33 110.063 -177.696 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.552 ' HA ' ' O ' ' A' ' 137' ' ' VAL . 98.1 mtt180 -99.2 118.23 35.44 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.887 -0.597 . . . . 73.43 109.87 179.633 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.681 ' HB ' HG13 ' A' ' 138' ' ' VAL . 43.7 t -111.75 105.31 18.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 116.332 -0.395 . . . . 72.23 110.32 -173.428 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.551 ' HA ' ' HB3' ' A' ' 139' ' ' ALA . . . -91.79 101.33 13.93 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.71 -0.478 . . . . 73.1 109.71 177.798 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 19.1 mt -109.67 104.03 54.43 Favored Pre-proline 0 C--O 1.233 0.188 0 CA-C-N 115.247 -0.888 . . . . 73.31 109.617 178.253 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' PRO . . . . . 0.411 ' HG2' ' CB ' ' A' ' 74' ' ' PRO . 61.1 Cg_endo -70.68 151.28 63.72 Favored 'Trans proline' 0 N--CA 1.463 -0.298 0 C-N-CA 122.559 2.173 . . . . 73.52 112.269 -177.449 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 69.9 15.2 71.35 Favored Glycine 0 CA--C 1.52 0.401 0 CA-C-N 115.793 -0.64 . . . . 54.45 112.866 -179.181 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.484 HD21 ' HA ' ' A' ' 111' ' ' ALA . 21.9 tp -130.9 140.78 50.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.811 0.339 . . . . 65.03 110.739 -177.606 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -77.1 136.74 38.65 Favored 'General case' 0 CA--C 1.521 -0.146 0 CA-C-N 115.975 -0.557 . . . . 72.42 110.661 176.46 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -53.73 -38.8 64.7 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.079 -0.51 . . . . 74.35 111.421 179.177 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -56.26 -51.71 67.15 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 115.992 -0.549 . . . . 64.13 110.989 -179.327 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 0.54 ' O ' HG22 ' A' ' 113' ' ' THR . . . -74.28 -34.62 63.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.683 0.754 . . . . 73.25 109.781 179.803 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 111' ' ' ALA . . . . . 0.484 ' HA ' HD21 ' A' ' 106' ' ' LEU . . . -55.8 -37.3 68.43 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 114.918 -1.037 . . . . 54.13 111.084 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -57.15 -49.32 76.31 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.069 -0.514 . . . . 74.23 110.919 176.849 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 113' ' ' THR . . . . . 0.54 HG22 ' O ' ' A' ' 110' ' ' ALA . 1.2 t -71.07 -34.98 71.7 Favored 'General case' 0 C--N 1.332 -0.154 0 C-N-CA 121.025 -0.27 . . . . 74.22 110.466 -175.541 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.464 ' HG ' ' O ' ' A' ' 110' ' ' ALA . 45.2 mt -63.68 -51.59 64.43 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 120.849 0.357 . . . . 61.01 110.442 179.453 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 97.6 t -66.83 -32.5 58.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.1 -0.5 . . . . 72.22 110.707 178.865 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -62.61 -58.72 6.52 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 120.681 0.277 . . . . 63.5 110.375 178.309 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 117' ' ' ARG . . . . . 0.501 ' HG2' ' O ' ' A' ' 113' ' ' THR . 14.7 ptm180 -60.01 -38.89 83.98 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-O 121.01 0.433 . . . . 65.24 110.215 -179.151 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -61.39 -40.04 92.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.815 -0.63 . . . . 63.41 110.368 175.631 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 119' ' ' HIS . . . . . 0.467 ' CG ' HD11 ' A' ' 136' ' ' LEU . 7.8 t-80 -71.31 -4.35 25.52 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 115.604 -0.725 . . . . 74.13 110.741 179.356 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 36.6 m170 -100.21 -51.68 3.59 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 120.989 0.424 . . . . 75.14 110.327 176.383 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 35.4 m -69.89 -38.72 76.4 Favored 'Isoleucine or valine' 0 C--O 1.233 0.208 0 CA-C-N 115.502 -0.772 . . . . 74.54 113.0 -169.326 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 122' ' ' CYS . . . . . 0.418 ' N ' ' HD3' ' A' ' 123' ' ' PRO . 79.8 m -143.8 67.65 15.94 Favored Pre-proline 0 CA--C 1.534 0.33 0 N-CA-C 112.349 0.5 . . . . 72.12 112.349 -176.523 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 123' ' ' PRO . . . . . 0.418 ' HD3' ' N ' ' A' ' 122' ' ' CYS . 62.8 Cg_endo -101.71 -165.49 0.05 OUTLIER 'Trans proline' 0 N--CA 1.452 -0.957 0 C-N-CA 123.614 2.876 . . . . 74.45 111.213 169.758 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 124' ' ' TYR . . . . . 0.53 ' CE2' ' SG ' ' A' ' 57' ' ' CYS . 4.4 m-30 -81.22 -19.2 43.73 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 120.891 0.377 . . . . 65.44 110.141 173.924 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 125' ' ' SER . . . . . 0.425 ' O ' HG22 ' A' ' 128' ' ' THR . 38.5 t 176.9 165.04 0.5 Allowed 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 115.499 -0.773 . . . . 62.44 109.137 177.613 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 126' ' ' ASN . . . . . 0.52 ' O ' ' HG2' ' A' ' 129' ' ' ARG . 27.1 t-20 -66.99 -31.4 71.95 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.705 0.764 . . . . 73.42 109.146 172.657 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 127' ' ' ALA . . . . . 0.516 ' O ' ' HB3' ' A' ' 131' ' ' ASN . . . -65.07 6.54 0.24 Allowed 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 114.794 -1.093 . . . . 54.1 112.423 179.085 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 128' ' ' THR . . . . . 0.44 HG23 ' CE1' ' A' ' 119' ' ' HIS . 13.0 t -88.34 -2.65 58.72 Favored 'General case' 0 CA--C 1.51 -0.571 0 N-CA-C 108.191 -1.041 . . . . 73.21 108.191 -173.592 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 129' ' ' ARG . . . . . 0.52 ' HG2' ' O ' ' A' ' 126' ' ' ASN . 2.6 ptm180 -127.71 -48.19 1.39 Allowed 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 114.937 -1.029 . . . . 72.04 112.06 -177.798 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 130' ' ' ASN . . . . . 0.428 ' ND2' ' H ' ' A' ' 130' ' ' ASN . 0.4 OUTLIER -78.4 -51.93 9.32 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-O 121.269 0.557 . . . . 71.52 110.893 178.384 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 131' ' ' ASN . . . . . 0.516 ' HB3' ' O ' ' A' ' 127' ' ' ALA . 65.1 t30 -71.55 -44.04 65.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.285 -0.87 . . . . 72.12 111.207 -175.592 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 41.1 t -113.68 133.3 60.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.737 -0.665 . . . . 70.22 110.225 -170.781 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -73.6 89.68 1.74 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.734 0.778 . . . . 45.42 111.259 -177.809 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 65.5 t -112.32 105.14 18.22 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.67 0 CA-C-N 115.129 -0.942 . . . . 75.02 109.887 174.199 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 73.0 ttt180 -76.06 103.07 5.94 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.123 -0.944 . . . . 72.41 110.308 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.467 HD11 ' CG ' ' A' ' 119' ' ' HIS . 30.7 mt -80.26 120.0 23.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.302 -0.408 . . . . 50.04 110.06 176.091 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 137' ' ' VAL . . . . . 0.552 ' O ' ' HA ' ' A' ' 100' ' ' ARG . 0.1 OUTLIER -129.63 114.63 31.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 N-CA-C 108.855 -0.794 . . . . 74.42 108.855 177.929 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 138' ' ' VAL . . . . . 0.681 HG13 ' HB ' ' A' ' 101' ' ' VAL . 2.4 t -112.22 133.73 57.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-O 120.976 0.417 . . . . 53.11 110.077 -175.09 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 139' ' ' ALA . . . . . 0.551 ' HB3' ' HA ' ' A' ' 102' ' ' ALA . . . . . . . . 0 C--N 1.322 -0.608 0 CA-C-N 115.604 -0.726 . . . . 73.13 111.01 -175.034 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 1' ' ' MET . . . . . 0.576 ' HE3' HD13 ' B' ' 3' ' ' ILE . 20.5 ptt? . . . . . 0 C--O 1.233 0.216 0 CA-C-O 120.688 0.28 . . . . 72.42 110.915 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 50.9 t30 -77.39 73.13 3.96 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 121.478 0.656 . . . . 61.35 110.521 178.912 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 3' ' ' ILE . . . . . 0.576 HD13 ' HE3' ' B' ' 1' ' ' MET . 25.7 mm -60.17 132.09 25.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.259 -0.882 . . . . 72.42 111.314 175.125 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.701 ' HG ' ' HD3' ' A' ' 87' ' ' PRO . 93.8 mt -83.62 -48.19 10.47 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.663 -0.699 . . . . 75.25 110.197 176.457 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 5' ' ' TYR . . . . . . . . . . . . . 35.5 t80 -135.54 126.47 27.66 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 116.333 -0.394 . . . . 75.45 110.704 -179.323 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 6' ' ' LYS . . . . . 0.6 ' HD3' ' HG2' ' A' ' 82' ' ' GLU . 28.7 ttmt -134.43 135.72 42.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.998 0.428 . . . . 65.01 110.936 177.026 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 10.9 t -134.01 150.34 51.23 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 115.593 -0.731 . . . . 72.52 109.058 177.546 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 8' ' ' ALA . . . . . 0.451 ' HB2' ' HG3' ' A' ' 82' ' ' GLU . . . -121.82 143.51 49.36 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-O 121.193 0.52 . . . . 64.22 111.81 -173.782 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 9' ' ' ALA . . . . . 0.608 ' HA ' ' H ' ' B' ' 22' ' ' HIS . . . -139.16 130.95 27.54 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.735 -0.666 . . . . 31.45 110.352 178.512 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 90.2 m -103.02 124.04 47.75 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.103 -0.499 . . . . 64.31 110.732 -178.059 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 73.9 p -114.94 118.9 34.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.836 0.351 . . . . 74.14 110.409 177.19 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 3.1 m -101.02 155.65 17.86 Favored 'General case' 0 C--O 1.238 0.452 0 CA-C-N 116.289 -0.414 . . . . 53.42 110.585 -179.753 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -83.62 74.79 2.47 Favored Glycine 0 N--CA 1.449 -0.47 0 N-CA-C 111.535 -0.626 . . . . 71.12 111.535 176.205 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -63.33 -100.29 0.01 OUTLIER Glycine 0 C--N 1.335 0.494 0 N-CA-C 111.998 -0.441 . . . . 73.4 111.998 178.662 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 16.7 mmt180 -88.83 -55.53 3.66 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.852 0.358 . . . . 65.14 110.079 172.453 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 16' ' ' ASP . . . . . 0.548 ' HB3' ' HA ' ' B' ' 31' ' ' SER . 37.0 t70 -126.2 -42.81 1.83 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.067 -0.515 . . . . 65.33 109.727 173.611 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -160.3 146.68 12.93 Favored Glycine 0 C--N 1.342 0.872 0 C-N-CA 120.491 -0.861 . . . . 74.22 111.724 166.68 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 18' ' ' ARG . . . . . 0.465 ' HA ' ' HA ' ' B' ' 29' ' ' LYS . 3.1 tmm_? -135.52 105.68 6.31 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 108.768 -0.827 . . . . 74.4 108.768 178.233 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 19' ' ' ALA . . . . . 0.47 ' HB1' ' HB1' ' A' ' 52' ' ' ALA . . . -101.28 123.93 46.17 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.41 -0.359 . . . . 64.21 110.757 -174.63 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 20' ' ' THR . . . . . 0.424 HG23 ' O ' ' B' ' 26' ' ' LEU . 50.1 m -132.51 117.49 18.07 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.201 -0.454 . . . . 75.11 110.659 -176.474 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 21' ' ' SER . . . . . 0.54 ' HB3' ' N ' ' B' ' 26' ' ' LEU . 27.4 t -67.2 110.39 3.46 Favored 'General case' 0 C--O 1.248 0.983 0 N-CA-C 106.858 -1.534 . . . . 74.21 106.858 174.212 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 22' ' ' HIS . . . . . 0.608 ' H ' ' HA ' ' B' ' 9' ' ' ALA . 22.8 t60 -50.43 -38.44 43.25 Favored 'General case' 0 N--CA 1.471 0.583 0 O-C-N 126.506 2.379 . . . . 73.12 112.682 -162.634 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 23' ' ' ASP . . . . . 0.472 ' OD2' ' HE2' ' B' ' 25' ' ' LYS . 12.6 p30 -80.41 23.82 0.48 Allowed 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 115.898 -0.592 . . . . 63.54 110.679 -177.698 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 24' ' ' GLN . . . . . 0.407 ' H ' ' C ' ' B' ' 22' ' ' HIS . 31.3 mm-40 68.54 22.34 7.72 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 115.153 -0.93 . . . . 71.43 111.281 174.396 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 25' ' ' LYS . . . . . 0.472 ' HE2' ' OD2' ' B' ' 23' ' ' ASP . 44.8 mtmt -79.84 -25.25 40.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.321 -0.4 . . . . 41.25 110.685 174.486 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 26' ' ' LEU . . . . . 0.54 ' N ' ' HB3' ' B' ' 21' ' ' SER . 27.7 tp -154.35 148.88 26.28 Favored 'General case' 0 CA--C 1.505 -0.776 0 C-N-CA 119.542 -0.863 . . . . 71.52 112.243 -178.16 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -154.59 101.72 2.35 Favored 'General case' 0 N--CA 1.444 -0.734 0 CA-C-N 114.743 -1.117 . . . . 53.33 109.942 178.304 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 3.6 m -145.14 176.36 2.15 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.643 0 CA-C-O 121.557 0.694 . . . . 74.12 112.267 178.556 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 29' ' ' LYS . . . . . 0.465 ' HA ' ' HA ' ' B' ' 18' ' ' ARG . 19.5 ttmt -135.35 144.57 46.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 114.808 -1.087 . . . . 64.31 109.982 -178.546 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 30' ' ' LEU . . . . . 0.734 ' HA ' ' H ' ' B' ' 44' ' ' THR . 0.0 OUTLIER -129.83 159.74 35.63 Favored 'General case' 0 C--O 1.253 1.275 0 CA-C-N 116.256 -0.429 . . . . 72.32 110.123 173.114 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 31' ' ' SER . . . . . 0.548 ' HA ' ' HB3' ' B' ' 16' ' ' ASP . 50.0 m -157.07 137.87 13.32 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 115.41 -0.814 . . . . 62.35 110.724 -177.16 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 32' ' ' ALA . . . . . 0.409 ' HA ' ' HD2' ' B' ' 33' ' ' PRO . . . -51.41 113.58 4.12 Favored Pre-proline 0 C--O 1.24 0.566 0 CA-C-N 115.876 -0.602 . . . . 75.13 110.511 175.882 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 33' ' ' PRO . . . . . 0.609 ' HG2' HD23 ' B' ' 36' ' ' LEU . 9.6 Cg_endo -51.95 136.91 52.78 Favored 'Trans proline' 0 C--N 1.352 0.743 0 C-N-CA 123.005 2.47 . . . . 71.3 112.025 -177.5 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.38 -12.83 61.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 71.43 110.565 -175.893 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 35' ' ' GLU . . . . . 0.439 ' HB3' HD22 ' B' ' 36' ' ' LEU . 23.3 tp10 -55.7 -35.44 66.08 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-O 121.342 0.591 . . . . 72.42 110.077 175.914 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.609 HD23 ' HG2' ' B' ' 33' ' ' PRO . 2.4 mm? -96.56 14.7 23.83 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 115.664 -0.698 . . . . 63.52 110.581 179.203 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 74.42 25.64 69.95 Favored Glycine 0 N--CA 1.453 -0.213 0 N-CA-C 111.703 -0.559 . . . . 51.22 111.703 -177.688 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -72.4 -127.73 0.09 OUTLIER Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 121.265 -0.493 . . . . 64.12 112.749 -178.294 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -103.11 -21.42 13.9 Favored 'General case' 0 C--N 1.328 -0.343 0 O-C-N 122.72 -0.283 . . . . 71.25 111.47 -176.121 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 53.97 46.64 68.64 Favored Glycine 0 C--N 1.331 0.262 0 CA-C-N 116.136 -0.484 . . . . 53.13 113.42 -176.669 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -101.55 171.28 7.66 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.685 0.279 . . . . 45.11 110.26 177.797 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -85.33 69.64 10.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.784 0.802 . . . . 74.14 110.233 -174.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -138.4 -158.47 7.76 Favored Glycine 0 C--N 1.317 -0.507 0 CA-C-N 114.162 -1.381 . . . . 72.12 111.689 177.421 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 44' ' ' THR . . . . . 0.734 ' H ' ' HA ' ' B' ' 30' ' ' LEU . 14.9 t -123.43 177.78 5.47 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.767 -0.457 . . . . 35.03 109.767 179.38 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 45' ' ' ASN . . . . . 0.644 HD21 HG21 ' A' ' 7' ' ' THR . 8.2 p-10 -103.34 132.66 20.89 Favored Pre-proline 0 CA--C 1.538 0.495 0 N-CA-C 110.135 -0.32 . . . . 71.14 110.135 -178.135 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 46' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -56.02 -50.02 13.62 Favored 'Trans proline' 0 C--N 1.353 0.795 0 C-N-CA 123.587 2.858 . . . . 54.41 114.428 -168.809 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 47' ' ' GLU . . . . . 0.424 ' CD ' HD22 ' B' ' 45' ' ' ASN . 0.0 OUTLIER -60.72 -30.7 70.13 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 121.298 -0.161 . . . . 73.03 110.648 -175.41 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 48' ' ' GLN . . . . . 0.618 ' HB2' HD21 ' B' ' 45' ' ' ASN . 0.7 OUTLIER -63.92 -48.85 74.96 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 121.031 0.444 . . . . 65.22 109.867 175.833 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 49' ' ' LEU . . . . . 0.405 HD12 ' HA3' ' A' ' 53' ' ' GLY . 3.3 tm? -58.33 -50.85 72.18 Favored 'General case' 0 C--O 1.238 0.468 0 CA-C-N 115.317 -0.856 . . . . 73.15 110.095 -178.359 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 25.8 t80 -62.84 -43.14 99.6 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.002 -0.545 . . . . 74.53 110.911 178.242 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.23 -53.03 61.14 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-O 120.876 0.369 . . . . 63.22 111.231 178.146 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 52' ' ' ALA . . . . . 0.609 ' HB1' ' HB1' ' A' ' 19' ' ' ALA . . . -59.95 -45.55 92.28 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 115.871 -0.604 . . . . 74.31 110.54 -179.317 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 53' ' ' GLY . . . . . 0.601 ' HA3' HD12 ' A' ' 49' ' ' LEU . . . -65.21 -36.45 92.86 Favored Glycine 0 N--CA 1.451 -0.366 0 CA-C-N 115.7 -0.682 . . . . 73.22 112.702 179.326 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 4.9 t80 -69.93 -45.08 68.27 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 122.41 0.284 . . . . 73.14 110.36 -177.398 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 55' ' ' SER . . . . . 0.41 ' HB3' ' HB2' ' B' ' 81' ' ' ALA . 15.1 p -64.5 -47.93 77.06 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.174 -0.466 . . . . 71.55 110.161 178.518 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 56' ' ' ALA . . . . . 0.519 ' HB1' HD21 ' A' ' 30' ' ' LEU . . . -61.64 -35.08 76.89 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-O 121.283 0.563 . . . . 72.32 110.641 176.385 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 57' ' ' CYS . . . . . . . . . . . . . 41.9 t -68.62 -36.44 78.64 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 109.467 -0.568 . . . . 72.4 109.467 176.825 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -70.21 -30.45 67.55 Favored 'General case' 0 N--CA 1.454 -0.275 0 CA-C-N 116.062 -0.517 . . . . 52.32 109.777 -178.729 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 59' ' ' LEU . . . . . 0.462 ' O ' ' HG3' ' B' ' 63' ' ' LYS . 92.8 mt -64.6 -41.52 96.17 Favored 'General case' 0 C--N 1.333 -0.11 0 CA-C-O 121.111 0.481 . . . . 64.41 109.775 173.54 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 60' ' ' SER . . . . . 0.447 ' HA ' ' HZ3' ' B' ' 63' ' ' LYS . 22.1 m -66.12 -44.59 83.83 Favored 'General case' 0 C--O 1.238 0.464 0 CA-C-N 115.867 -0.606 . . . . 73.23 110.401 177.939 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 61' ' ' ALA . . . . . 0.42 ' O ' HG23 ' B' ' 65' ' ' VAL . . . -63.16 -37.14 86.04 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.988 -0.551 . . . . 44.1 109.864 176.504 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 62' ' ' MET . . . . . . . . . . . . . 4.7 tpt -62.96 -38.32 90.6 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 115.51 -0.768 . . . . 71.0 109.842 177.838 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 63' ' ' LYS . . . . . 0.462 ' HG3' ' O ' ' B' ' 59' ' ' LEU . 29.6 mtmm -63.02 -48.56 78.26 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 116.007 -0.542 . . . . 72.03 109.92 175.739 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 34.9 t80 -55.63 -48.93 74.13 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 116.205 -0.452 . . . . 73.11 110.753 177.439 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 65' ' ' VAL . . . . . 0.42 HG23 ' O ' ' B' ' 61' ' ' ALA . 55.0 t -55.43 -47.16 78.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.989 -0.551 . . . . 75.05 110.685 179.14 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -56.98 -32.24 65.88 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.096 0.474 . . . . 74.13 110.543 177.754 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -69.54 -31.42 70.93 Favored Glycine 0 C--N 1.33 0.22 0 CA-C-N 115.411 -0.813 . . . . 75.04 112.43 -177.106 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -94.35 -19.74 20.38 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.452 0.644 . . . . 64.5 109.487 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 20.2 m-80 -91.81 -0.08 57.51 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 114.998 -1.001 . . . . 65.21 110.664 177.54 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 3.2 mptp? 56.23 23.9 7.59 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 115.671 -0.695 . . . . 73.12 111.401 174.288 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -110.88 160.58 16.65 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.521 -0.763 . . . . 74.24 109.785 179.071 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 8.5 p -118.45 132.87 56.23 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 116.064 -0.516 . . . . 74.12 110.202 -179.5 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 73' ' ' LEU . . . . . 0.435 ' HA ' ' HD3' ' B' ' 74' ' ' PRO . 0.3 OUTLIER -109.25 140.87 22.42 Favored Pre-proline 0 CA--C 1.534 0.333 0 CA-C-N 116.172 -0.467 . . . . 75.15 110.848 -177.575 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 74' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' B' ' 73' ' ' LEU . 31.2 Cg_exo -61.53 136.75 65.08 Favored 'Trans proline' 0 C--N 1.35 0.628 0 C-N-CA 122.974 2.449 . . . . 62.01 111.959 177.843 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -77.02 -15.94 59.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.921 0.391 . . . . 71.53 111.179 -179.025 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -80.73 6.66 12.22 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-O 121.364 0.602 . . . . 60.22 110.775 -178.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 77' ' ' THR . . . . . 0.408 HG22 ' O ' ' B' ' 74' ' ' PRO . 12.6 t -75.97 166.27 23.74 Favored 'General case' 0 C--O 1.238 0.453 0 CA-C-N 115.939 -0.573 . . . . 73.25 110.719 178.435 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 12.9 t -158.46 158.12 33.51 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-O 121.454 0.645 . . . . 71.23 111.778 179.694 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 79' ' ' VAL . . . . . 0.403 HG23 HD21 ' B' ' 59' ' ' LEU . 69.9 t -132.81 117.21 29.25 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-N 114.791 -1.095 . . . . 54.24 109.098 175.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 80' ' ' THR . . . . . 0.538 ' HA ' ' HA ' ' A' ' 10' ' ' THR . 12.9 m -98.06 108.46 21.18 Favored 'General case' 0 C--N 1.314 -0.948 0 CA-C-N 116.077 -0.51 . . . . 72.42 110.068 -178.662 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 81' ' ' ALA . . . . . 0.41 ' HB2' ' HB3' ' B' ' 55' ' ' SER . . . -93.08 104.61 16.8 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.525 -0.546 . . . . 73.43 109.525 178.609 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 82' ' ' GLU . . . . . 0.534 ' HB3' ' HB3' ' B' ' 98' ' ' GLU . 42.1 tt0 -107.71 107.89 18.87 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.271 -0.877 . . . . 71.23 109.281 -178.021 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 17.6 m -106.52 145.92 13.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 120.928 0.394 . . . . 71.44 110.904 -175.774 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 84' ' ' GLY . . . . . 0.421 ' HA2' ' HA ' ' A' ' 6' ' ' LYS . . . -135.87 159.61 24.31 Favored Glycine 0 N--CA 1.445 -0.763 0 CA-C-N 115.725 -0.671 . . . . 52.45 111.616 178.637 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 85' ' ' ILE . . . . . 0.493 HD11 ' CD2' ' B' ' 93' ' ' PHE . 0.0 OUTLIER -136.37 132.86 49.43 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 N-CA-C 109.231 -0.655 . . . . 73.1 109.231 -179.729 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 86' ' ' GLY . . . . . 0.406 ' HA2' ' HG ' ' A' ' 4' ' ' LEU . . . -145.84 169.94 27.18 Favored Glycine 0 N--CA 1.451 -0.354 0 CA-C-N 115.043 -0.98 . . . . 52.3 110.738 178.793 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 87' ' ' PRO . . . . . 0.662 ' HD3' ' HG ' ' A' ' 4' ' ' LEU . 95.0 Cg_endo -82.49 151.95 15.37 Favored 'Trans proline' 0 N--CA 1.458 -0.591 0 C-N-CA 122.479 2.119 . . . . 61.3 112.385 -177.155 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 88' ' ' ASN . . . . . . . . . . . . . 24.0 t-20 -107.29 151.8 24.98 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 108.927 -0.768 . . . . 72.3 108.927 174.814 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -58.2 -25.56 61.74 Favored 'General case' 0 C--N 1.33 -0.27 0 O-C-N 123.135 0.272 . . . . 65.22 111.177 -178.104 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -67.42 -26.67 66.54 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 121.178 0.513 . . . . 74.05 110.875 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.09 35.04 3.52 Favored Glycine 0 N--CA 1.453 -0.197 0 CA-C-N 115.934 -0.575 . . . . 72.2 111.722 -176.71 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . -133.85 -174.75 13.63 Favored Glycine 0 N--CA 1.45 -0.379 0 N-CA-C 110.866 -0.894 . . . . 70.13 110.866 178.166 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 93' ' ' PHE . . . . . 0.493 ' CD2' HD11 ' B' ' 85' ' ' ILE . 47.4 m-85 -98.01 149.8 22.07 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.98 0.419 . . . . 73.12 110.468 179.629 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -136.2 134.64 38.38 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.739 -0.664 . . . . 62.21 109.482 -179.37 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -102.02 137.14 40.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.148 0.499 . . . . 74.21 111.268 -174.732 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 96' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -120.69 110.42 16.38 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 114.948 -1.024 . . . . 73.53 108.825 178.212 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 97' ' ' VAL . . . . . 0.434 ' HB ' HG22 ' B' ' 134' ' ' VAL . 51.9 t -105.27 129.69 57.67 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.777 0 CA-C-O 120.863 0.363 . . . . 65.34 110.732 -176.035 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 98' ' ' GLU . . . . . 0.534 ' HB3' ' HB3' ' B' ' 82' ' ' GLU . 1.7 tp10 -119.76 104.74 10.49 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.772 -0.649 . . . . 74.42 109.41 179.62 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 83.4 mt -99.36 106.71 18.82 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 110.34 -0.244 . . . . 61.12 110.34 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 100' ' ' ARG . . . . . 0.568 ' HA ' ' O ' ' B' ' 137' ' ' VAL . 52.6 mtt180 -98.92 115.42 28.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.104 -0.498 . . . . 64.11 110.253 -177.459 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 101' ' ' VAL . . . . . 0.43 HG11 HG22 ' B' ' 115' ' ' VAL . 78.9 t -98.87 113.44 33.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.942 -0.572 . . . . 60.12 110.949 -176.686 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -110.91 101.67 10.23 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.991 -0.374 . . . . 53.32 109.991 176.344 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 103' ' ' LEU . . . . . 0.777 HD23 HD22 ' B' ' 106' ' ' LEU . 34.2 tp -113.53 116.12 46.27 Favored Pre-proline 0 C--N 1.331 -0.214 0 N-CA-C 109.127 -0.694 . . . . 72.24 109.127 178.371 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 104' ' ' PRO . . . . . 0.562 ' HD2' HD12 ' B' ' 103' ' ' LEU . 41.9 Cg_endo -68.9 147.03 67.51 Favored 'Trans proline' 0 N--CA 1.46 -0.449 0 C-N-CA 122.568 2.179 . . . . 74.24 112.195 -175.486 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 105' ' ' GLY . . . . . . . . . . . . . . . 74.42 15.05 80.48 Favored Glycine 0 N--CA 1.45 -0.404 0 CA-C-N 115.646 -0.706 . . . . 72.34 112.07 -177.674 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 106' ' ' LEU . . . . . 0.777 HD22 HD23 ' B' ' 103' ' ' LEU . 39.7 tp -129.72 143.91 51.04 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 122.708 0.403 . . . . 60.53 110.673 -177.436 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -82.55 164.85 20.59 Favored 'General case' 0 CA--C 1.513 -0.448 0 CA-C-N 116.223 -0.444 . . . . 63.12 110.505 177.606 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 108' ' ' ALA . . . . . 0.574 ' O ' ' HG2' ' B' ' 112' ' ' LYS . . . -68.63 -45.51 71.67 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.632 -0.713 . . . . 34.32 109.87 168.802 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -58.26 -47.68 82.81 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 115.713 -0.676 . . . . 64.51 110.812 -177.241 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -70.59 -42.91 70.41 Favored 'General case' 0 C--O 1.237 0.432 0 CA-C-N 116.057 -0.519 . . . . 72.03 109.948 177.419 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -55.12 -33.1 62.58 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 115.655 -0.702 . . . . 64.14 111.623 177.855 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 112' ' ' LYS . . . . . 0.574 ' HG2' ' O ' ' B' ' 108' ' ' ALA . 73.9 mmtt -51.04 -48.04 61.59 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 120.782 0.325 . . . . 74.45 110.74 178.265 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 113' ' ' THR . . . . . . . . . . . . . 1.6 t -82.08 -39.72 23.01 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 116.314 -0.403 . . . . 72.03 110.992 -177.437 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 45.6 mt -63.74 -48.47 76.89 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.443 -0.344 . . . . 70.23 110.79 -177.256 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 115' ' ' VAL . . . . . 0.525 HG13 ' CD2' ' B' ' 119' ' ' HIS . 54.6 t -61.38 -40.65 86.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.181 -0.463 . . . . 63.55 110.328 177.516 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 116' ' ' ASP . . . . . 0.555 ' O ' ' HB2' ' B' ' 120' ' ' HIS . 10.8 t70 -55.47 -61.24 2.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.526 -0.761 . . . . 75.43 110.136 -179.309 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 117' ' ' ARG . . . . . . . . . . . . . 9.6 ptm85 -66.32 -41.95 88.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.724 -0.671 . . . . 70.2 111.445 -176.273 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -73.02 -21.18 60.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.176 -0.465 . . . . 61.11 112.012 -175.423 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 119' ' ' HIS . . . . . 0.525 ' CD2' HG13 ' B' ' 115' ' ' VAL . 3.7 m-70 -116.46 13.84 15.5 Favored 'General case' 0 N--CA 1.463 0.206 0 O-C-N 122.009 -0.432 . . . . 74.31 111.456 178.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 120' ' ' HIS . . . . . 0.555 ' HB2' ' O ' ' B' ' 116' ' ' ASP . 0.8 OUTLIER -83.75 -18.08 39.02 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 120.886 0.374 . . . . 61.52 110.205 -179.938 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 30.1 m -113.0 45.68 0.29 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.38 0 CA-C-N 115.74 -0.663 . . . . 63.42 111.283 -175.351 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 122' ' ' CYS . . . . . 0.6 ' SG ' ' NE ' ' B' ' 129' ' ' ARG . 25.6 p -68.9 128.54 92.78 Favored Pre-proline 0 CA--C 1.536 0.409 0 CA-C-N 116.273 -0.421 . . . . 74.53 111.152 -177.839 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 123' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -71.11 -29.45 17.62 Favored 'Trans proline' 0 C--N 1.352 0.739 0 C-N-CA 122.527 2.152 . . . . 65.25 112.146 178.548 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 124' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 . . . . . 0 N--CA 1.463 0.206 0 CA-C-N 116.303 -0.408 . . . . 65.35 110.291 178.103 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 128' ' ' THR . . . . . 0.428 ' O ' ' HB ' ' B' ' 132' ' ' VAL . 3.3 t . . . . . 0 CA--C 1.514 -0.421 0 N-CA-C 108.275 -1.009 . . . . 55.14 108.275 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 129' ' ' ARG . . . . . 0.6 ' NE ' ' SG ' ' B' ' 122' ' ' CYS . 10.2 ptp180 -126.69 -35.36 2.33 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 114.421 -1.263 . . . . 75.21 110.413 -176.809 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 130' ' ' ASN . . . . . . . . . . . . . 54.7 m-80 -78.43 -51.87 9.4 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.877 -0.601 . . . . 74.14 111.009 173.4 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 131' ' ' ASN . . . . . . . . . . . . . 66.1 t30 -77.36 -43.74 31.81 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 121.227 0.537 . . . . 75.43 109.98 -178.873 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 132' ' ' VAL . . . . . 0.428 ' HB ' ' O ' ' B' ' 128' ' ' THR . 17.4 t -99.82 145.32 10.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.379 -0.828 . . . . 52.13 109.475 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 133' ' ' ALA . . . . . . . . . . . . . . . -76.07 101.28 5.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.274 0.559 . . . . 72.23 112.247 -174.015 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 134' ' ' VAL . . . . . 0.434 HG22 ' HB ' ' B' ' 97' ' ' VAL . 96.1 t -120.19 140.44 44.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.496 -0.774 . . . . 61.1 110.019 172.465 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 82.9 mtt-85 -115.64 110.26 18.93 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.724 -0.671 . . . . 74.32 109.488 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 21.1 mt -82.59 100.7 10.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.54 0.686 . . . . 72.41 109.846 176.486 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 137' ' ' VAL . . . . . 0.568 ' O ' ' HA ' ' B' ' 100' ' ' ARG . 0.2 OUTLIER -112.4 116.11 51.69 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 114.819 -1.082 . . . . 72.22 109.819 -176.242 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 138' ' ' VAL . . . . . 0.41 HG12 HG21 ' B' ' 115' ' ' VAL . 2.8 m -90.67 138.44 19.52 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 CA-C-N 115.679 -0.691 . . . . 70.52 109.959 -178.906 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 139' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.226 0 CA-C-O 118.505 -0.759 . . . . 71.35 110.695 -176.314 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.5 ptt? . . . . . 0 N--CA 1.485 1.284 0 CA-C-O 120.732 0.301 . . . . 71.43 110.858 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 33.3 t30 -73.46 74.63 1.42 Allowed 'General case' 0 CA--C 1.533 0.312 0 CA-C-O 121.244 0.545 . . . . 75.52 110.936 177.366 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.527 HG21 ' HB2' ' A' ' 6' ' ' LYS . 30.5 mm -72.48 125.0 30.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.957 -0.565 . . . . 51.02 111.511 174.615 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.739 ' HG ' ' HD3' ' B' ' 87' ' ' PRO . 89.4 mt -82.21 -45.07 15.56 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.347 -0.842 . . . . 74.21 110.134 176.309 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 39.3 t80 -137.34 127.11 25.49 Favored 'General case' 0 C--O 1.222 -0.364 0 CA-C-N 116.02 -0.536 . . . . 54.43 110.437 -178.084 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.527 ' HB2' HG21 ' A' ' 3' ' ' ILE . 31.9 ttmt -136.71 128.38 28.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.906 0.384 . . . . 62.42 110.121 175.16 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 15.2 t -133.3 154.15 50.95 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.808 -0.633 . . . . 73.02 109.662 -178.749 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.423 ' HA ' ' HA ' ' B' ' 82' ' ' GLU . . . -114.28 140.5 48.55 Favored 'General case' 0 C--O 1.237 0.431 0 CA-C-O 121.318 0.58 . . . . 64.34 112.542 -171.126 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -124.99 135.32 52.68 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.156 -0.929 . . . . 65.14 109.148 173.089 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.403 HG22 ' HB2' ' A' ' 22' ' ' HIS . 14.5 t -123.26 128.98 50.74 Favored 'General case' 0 N--CA 1.445 -0.687 0 N-CA-C 108.648 -0.871 . . . . 73.43 108.648 -178.436 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 71.0 m -125.34 114.61 19.12 Favored 'General case' 0 C--N 1.314 -0.943 0 CA-C-N 115.623 -0.717 . . . . 71.32 110.757 -175.189 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.1 m -101.37 157.79 16.54 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 115.586 -0.733 . . . . 72.12 110.831 -176.749 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -81.19 69.57 3.24 Favored Glycine 0 N--CA 1.451 -0.345 0 N-CA-C 111.247 -0.741 . . . . 62.44 111.247 174.691 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -57.71 -98.9 0.01 OUTLIER Glycine 0 C--N 1.336 0.57 0 C-N-CA 121.722 -0.275 . . . . 62.02 113.171 -176.473 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 17.0 mtp180 -88.71 -53.4 4.64 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.052 -0.722 . . . . 73.04 109.052 174.493 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -125.78 -42.48 1.91 Allowed 'General case' 0 C--O 1.235 0.292 0 N-CA-C 109.208 -0.664 . . . . 74.22 109.208 168.237 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.499 ' O ' ' HG3' ' A' ' 29' ' ' LYS . . . -156.56 151.98 23.38 Favored Glycine 0 C--N 1.336 0.568 0 N-CA-C 110.792 -0.923 . . . . 73.12 110.792 167.016 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.518 ' HA ' ' HA ' ' A' ' 29' ' ' LYS . 3.5 tmt_? -142.91 113.44 7.39 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 117.268 0.534 . . . . 73.24 109.668 -178.784 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -110.12 123.98 50.7 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.188 -0.46 . . . . 71.12 110.653 -175.157 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.503 HG23 ' O ' ' A' ' 26' ' ' LEU . 88.6 m -136.39 121.26 18.67 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.188 -0.46 . . . . 63.53 110.937 -175.662 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.675 ' HB3' ' N ' ' A' ' 26' ' ' LEU . 2.9 t -68.75 106.84 2.8 Favored 'General case' 0 C--O 1.248 1.008 0 N-CA-C 106.183 -1.784 . . . . 62.3 106.183 170.547 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.419 ' C ' ' H ' ' A' ' 24' ' ' GLN . 75.5 t60 -66.31 -14.63 62.32 Favored 'General case' 0 C--N 1.346 0.441 0 O-C-N 125.713 1.883 . . . . 71.44 110.505 -170.788 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.508 ' HB3' ' HE2' ' A' ' 25' ' ' LYS . 36.6 t0 -80.46 14.28 2.09 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.212 -0.904 . . . . 73.43 108.851 175.29 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.419 ' H ' ' C ' ' A' ' 22' ' ' HIS . 31.2 mm-40 69.69 30.08 3.99 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-N 114.518 -1.219 . . . . 72.53 111.213 173.006 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.508 ' HE2' ' HB3' ' A' ' 23' ' ' ASP . 51.0 mtmt -111.46 -9.58 14.21 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.939 -0.573 . . . . 73.44 111.986 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.675 ' N ' ' HB3' ' A' ' 21' ' ' SER . 41.0 tp -152.51 145.77 24.71 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 119.726 -0.79 . . . . 74.42 110.681 174.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -158.67 95.66 1.33 Allowed 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 121.012 0.434 . . . . 74.13 110.349 175.611 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 4.4 m -139.91 177.85 4.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 121.535 0.683 . . . . 62.12 111.359 178.85 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.518 ' HA ' ' HA ' ' A' ' 18' ' ' ARG . 16.7 ttpp -137.01 139.14 41.2 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.068 -0.969 . . . . 62.42 110.277 -177.919 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.613 ' HA ' ' H ' ' A' ' 44' ' ' THR . 0.0 OUTLIER -127.25 170.99 11.85 Favored 'General case' 0 C--O 1.249 1.036 0 CA-C-N 116.038 -0.528 . . . . 64.12 110.189 179.317 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 12.6 p -159.34 147.57 17.7 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.799 -0.637 . . . . 75.34 111.285 -178.189 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.422 ' HA ' ' HD2' ' A' ' 33' ' ' PRO . . . -66.77 113.14 11.75 Favored Pre-proline 0 C--O 1.238 0.472 0 CA-C-N 115.772 -0.649 . . . . 52.21 110.066 175.489 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.537 ' HG3' ' ND2' ' A' ' 45' ' ' ASN . 15.5 Cg_endo -55.32 113.39 1.39 Allowed 'Trans proline' 0 C--N 1.348 0.542 0 C-N-CA 122.614 2.209 . . . . 73.33 111.497 -177.031 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.687 ' HD2' ' HA2' ' A' ' 40' ' ' GLY . 50.5 ttt180 -66.88 -6.84 18.03 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 116.308 -0.405 . . . . 50.12 111.453 -176.487 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -50.93 -21.85 1.95 Allowed 'General case' 0 N--CA 1.465 0.281 0 C-N-CA 123.483 0.713 . . . . 75.14 112.716 179.309 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 60.3 mt -117.78 35.3 4.76 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.898 0.38 . . . . 63.44 110.12 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 66.51 43.91 91.29 Favored Glycine 0 C--N 1.333 0.395 0 N-CA-C 110.955 -0.858 . . . . 72.22 110.955 -175.891 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.481 ' H ' ' HA ' ' A' ' 34' ' ' ARG . . . -81.24 -110.55 0.34 Allowed Glycine 0 C--N 1.33 0.225 0 CA-C-N 115.115 -0.543 . . . . 73.44 113.068 -171.86 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -123.9 -57.54 1.61 Allowed 'General case' 0 C--O 1.234 0.247 0 CA-C-N 116.905 0.353 . . . . 63.22 111.289 -174.515 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.687 ' HA2' ' HD2' ' A' ' 34' ' ' ARG . . . -173.94 -80.07 0.05 OUTLIER Glycine 0 N--CA 1.447 -0.57 0 C-N-CA 119.411 -1.376 . . . . 45.53 114.29 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -72.64 -178.4 2.63 Favored 'General case' 0 C--O 1.235 0.33 0 N-CA-C 112.967 0.729 . . . . 44.21 112.967 -169.88 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -95.59 -53.51 3.7 Favored 'General case' 0 CA--C 1.498 -1.03 0 CA-C-O 123.021 1.391 . . . . 71.23 109.973 179.001 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.414 ' O ' ' HD2' ' B' ' 25' ' ' LYS . . . 40.56 -127.11 2.98 Favored Glycine 0 C--N 1.291 -1.955 0 CA-C-N 110.854 -2.885 . . . . 55.55 111.972 -177.387 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.613 ' H ' ' HA ' ' A' ' 30' ' ' LEU . 32.8 p -129.01 156.82 43.2 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 108.707 -0.849 . . . . 74.01 108.707 170.294 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.537 ' ND2' ' HG3' ' A' ' 33' ' ' PRO . 1.1 m-20 -92.12 129.21 42.35 Favored Pre-proline 0 C--N 1.323 -0.572 0 N-CA-C 109.196 -0.668 . . . . 72.33 109.196 -179.363 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_endo -53.1 -35.62 73.4 Favored 'Trans proline' 0 CA--C 1.534 0.492 0 C-N-CA 122.578 2.185 . . . . 63.04 112.111 178.508 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.48 ' HG2' HD11 ' A' ' 95' ' ' LEU . 23.5 mp0 -71.51 -37.45 71.21 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-O 121.792 0.805 . . . . 62.13 109.092 179.611 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.514 ' HB3' ' HB2' ' A' ' 45' ' ' ASN . 29.9 tt0 -66.89 -39.8 87.56 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 114.34 -1.3 . . . . 72.35 110.572 178.595 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.483 HD12 ' HA3' ' B' ' 53' ' ' GLY . 3.3 tm? -66.98 -47.49 71.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.695 -0.684 . . . . 71.11 109.397 179.083 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 46.3 t80 -59.44 -43.03 93.21 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.774 -0.648 . . . . 64.45 110.571 176.712 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.56 ' HB2' HG11 ' A' ' 83' ' ' VAL . . . -57.43 -53.31 59.54 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 116.174 -0.466 . . . . 52.03 111.434 177.151 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.457 ' HB1' ' HB1' ' B' ' 19' ' ' ALA . . . -59.7 -44.77 93.53 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 115.903 -0.589 . . . . 51.43 110.318 -179.615 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.493 ' O ' ' SG ' ' A' ' 57' ' ' CYS . . . -60.33 -52.12 54.58 Favored Glycine 0 C--O 1.223 -0.566 0 CA-C-N 115.533 -0.758 . . . . 45.35 112.114 178.853 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -57.11 -51.28 69.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.86 0.362 . . . . 71.4 110.449 -178.103 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.557 ' HB3' ' HB2' ' A' ' 81' ' ' ALA . 51.9 p -60.48 -52.15 66.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.457 . . . . 50.31 110.826 -177.227 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.53 ' HB1' HD21 ' B' ' 30' ' ' LEU . . . -61.47 -41.22 96.91 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-O 121.002 0.429 . . . . 72.41 110.997 179.848 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.565 ' SG ' ' HB3' ' B' ' 46' ' ' PRO . 96.2 m -63.34 -35.99 82.21 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.933 -0.576 . . . . 74.4 110.643 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 38.5 t80 -55.01 -31.82 61.34 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 116.305 -0.407 . . . . 64.12 110.345 -177.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 9.1 mp -64.21 -51.63 62.79 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.157 -0.474 . . . . 74.12 109.931 176.082 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 10.8 m -60.41 -37.72 81.73 Favored 'General case' 0 C--O 1.238 0.474 0 CA-C-O 121.214 0.53 . . . . 74.4 110.53 178.913 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -61.26 -49.28 77.69 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 116.0 -0.545 . . . . 64.15 109.931 177.46 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 18.3 mtp -69.97 -20.43 63.31 Favored 'General case' 0 C--O 1.227 -0.128 0 CA-C-N 115.81 -0.632 . . . . 61.32 110.912 177.314 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 25.5 tptp -67.39 -44.84 77.89 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.159 -0.682 . . . . 62.32 109.159 174.888 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 33.5 t80 -63.89 -45.43 89.41 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 115.854 -0.612 . . . . 70.35 110.226 175.269 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 71.1 t -57.55 -51.37 70.79 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.17 0 CA-C-N 116.16 -0.473 . . . . 51.41 110.661 178.092 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -60.84 -29.3 69.42 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.852 -0.613 . . . . 55.45 110.172 179.236 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -71.52 -30.67 66.34 Favored Glycine 0 N--CA 1.45 -0.429 0 CA-C-N 115.547 -0.752 . . . . 65.01 112.2 -178.68 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -92.93 -22.47 19.2 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-O 121.245 0.545 . . . . 73.33 109.548 -178.821 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.419 ' HB3' ' HG2' ' A' ' 71' ' ' GLN . 16.6 m-80 -86.88 -1.85 58.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.04 -0.982 . . . . 73.35 110.701 176.849 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 9.6 mptt 60.93 26.47 16.39 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 115.919 -0.582 . . . . 70.5 111.18 177.091 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.419 ' HG2' ' HB3' ' A' ' 69' ' ' ASN . 1.5 pt20 -113.44 168.09 10.04 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.086 0.469 . . . . 65.11 110.834 -178.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 33.1 p -120.94 145.65 47.48 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.661 -0.7 . . . . 71.13 109.955 178.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.412 ' HA ' ' HD3' ' A' ' 74' ' ' PRO . 96.5 mt -109.28 145.78 32.55 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.47 -0.332 . . . . 63.13 110.526 -179.587 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.479 ' HG2' HD11 ' A' ' 103' ' ' LEU . 37.9 Cg_exo -63.07 113.79 2.18 Favored 'Trans proline' 0 C--N 1.348 0.504 0 C-N-CA 122.708 2.272 . . . . 75.32 111.659 174.802 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -74.77 2.02 11.08 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.879 0.371 . . . . 74.43 111.832 -177.486 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.505 ' HB3' ' HG3' ' A' ' 104' ' ' PRO . 38.8 t70 -93.09 5.27 52.09 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.339 0.59 . . . . 72.44 110.752 -178.657 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.595 ' HB ' HD22 ' A' ' 103' ' ' LEU . 5.5 t -77.29 163.35 26.56 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-N 115.824 -0.625 . . . . 73.42 111.339 -179.351 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 9.2 m -148.24 149.03 31.18 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.008 -0.738 . . . . 65.01 109.008 177.555 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 93.1 t -127.05 129.85 71.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 N-CA-C 109.709 -0.478 . . . . 73.54 109.709 176.258 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.404 ' HB ' ' HB3' ' A' ' 100' ' ' ARG . 6.7 m -108.54 111.79 23.83 Favored 'General case' 0 C--N 1.318 -0.779 0 C-N-CA 120.863 -0.335 . . . . 61.0 110.434 176.439 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.557 ' HB2' ' HB3' ' A' ' 55' ' ' SER . . . -93.22 104.31 16.5 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.552 -0.536 . . . . 75.0 109.552 176.744 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.491 ' HG2' ' HD3' ' B' ' 6' ' ' LYS . 36.5 tt0 -109.0 107.58 17.99 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.347 -0.612 . . . . 74.0 109.347 -178.447 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.56 HG11 ' HB2' ' A' ' 51' ' ' ALA . 31.1 m -108.68 144.64 16.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-O 120.929 0.395 . . . . 74.25 111.111 -174.093 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.42 ' HA2' ' HA ' ' B' ' 6' ' ' LYS . . . -137.77 163.67 25.53 Favored Glycine 0 N--CA 1.442 -0.929 0 CA-C-N 115.647 -0.706 . . . . 64.22 111.853 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -135.31 130.15 50.67 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.847 0 N-CA-C 108.869 -0.789 . . . . 71.32 108.869 178.217 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -150.41 169.78 30.34 Favored Glycine 0 N--CA 1.451 -0.307 0 CA-C-N 115.161 -0.927 . . . . 64.2 111.12 178.127 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.443 ' HD3' ' HG ' ' B' ' 4' ' ' LEU . 57.3 Cg_endo -71.47 134.72 25.01 Favored 'Trans proline' 0 C--O 1.235 0.371 0 C-N-CA 122.334 2.022 . . . . 75.13 112.116 -179.343 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' ASN . . . . . 0.493 ' HB2' ' HB2' ' A' ' 94' ' ' ALA . 5.4 t-20 -91.92 150.21 21.15 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.574 -0.739 . . . . 63.43 110.456 -177.676 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -57.58 -27.04 62.34 Favored 'General case' 0 CA--C 1.533 0.304 0 O-C-N 123.562 0.539 . . . . 74.31 111.567 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -69.53 -21.87 63.61 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 116.075 -0.511 . . . . 62.35 111.395 -179.553 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.27 35.32 3.41 Favored Glycine 0 CA--C 1.517 0.203 0 CA-C-N 116.276 -0.42 . . . . 52.42 112.238 -179.485 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -141.65 -152.2 5.68 Favored Glycine 0 C--O 1.23 -0.121 0 N-CA-C 110.931 -0.868 . . . . 74.12 110.931 176.603 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 54.0 m-85 -103.84 155.57 18.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 117.115 0.457 . . . . 72.25 109.915 176.399 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.493 ' HB2' ' HB2' ' A' ' 88' ' ' ASN . . . -141.17 130.1 23.14 Favored 'General case' 0 C--O 1.239 0.513 0 CA-C-N 116.294 -0.412 . . . . 73.43 110.146 179.742 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.48 HD11 ' HG2' ' A' ' 47' ' ' GLU . 4.3 mm? -98.05 123.47 42.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.601 -0.727 . . . . 75.45 109.941 178.284 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -110.0 110.48 21.41 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.449 -0.796 . . . . 62.1 109.46 -179.456 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.507 HG22 HG12 ' A' ' 83' ' ' VAL . 60.6 t -106.8 110.48 31.85 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.807 0 CA-C-N 115.893 -0.594 . . . . 41.42 110.741 -176.052 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.472 ' HG2' ' HB3' ' A' ' 135' ' ' ARG . 43.6 mt-10 -98.78 110.03 22.7 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.891 0.377 . . . . 51.52 110.234 179.081 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 87.2 mt -95.59 108.41 20.67 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.074 -0.512 . . . . 73.33 110.109 179.118 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.553 ' HA ' ' O ' ' A' ' 137' ' ' VAL . 61.8 ttp180 -99.11 110.4 22.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.013 -0.54 . . . . 73.43 109.808 -179.407 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 46.9 t -103.38 98.59 7.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.482 -0.326 . . . . 72.23 110.369 -174.168 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -91.89 101.49 14.06 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.92 0.391 . . . . 73.1 110.169 -179.446 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.595 HD22 ' HB ' ' A' ' 77' ' ' THR . 0.3 OUTLIER -108.81 117.69 53.4 Favored Pre-proline 0 C--N 1.326 -0.442 0 N-CA-C 109.237 -0.653 . . . . 73.31 109.237 -177.743 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 104' ' ' PRO . . . . . 0.514 ' HD3' ' HA ' ' A' ' 77' ' ' THR . 61.1 Cg_endo -70.43 150.53 64.26 Favored 'Trans proline' 0 C--O 1.234 0.303 0 C-N-CA 122.85 2.367 . . . . 73.52 112.961 -177.857 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 64.31 15.43 58.93 Favored Glycine 0 CA--C 1.52 0.344 0 CA-C-N 115.536 -0.756 . . . . 54.45 113.282 178.109 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.589 HD23 ' HB3' ' A' ' 103' ' ' LEU . 27.0 tp -120.44 139.94 52.11 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.089 0.471 . . . . 65.03 110.854 -176.915 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -78.08 141.54 38.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.719 -0.673 . . . . 72.42 110.181 175.528 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -59.78 -40.65 88.98 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.395 -0.366 . . . . 74.35 110.953 178.84 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -57.0 -43.15 81.49 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 115.881 -0.6 . . . . 64.13 110.988 -179.332 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 0.514 ' O ' HG22 ' A' ' 113' ' ' THR . . . -77.81 -38.14 47.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.043 -0.526 . . . . 73.25 110.237 178.697 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -55.89 -34.6 65.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.703 -0.68 . . . . 54.13 110.62 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 112' ' ' LYS . . . . . 0.446 ' O ' ' HB2' ' A' ' 116' ' ' ASP . 30.0 mmtp -54.11 -48.47 70.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.871 -0.604 . . . . 74.23 111.01 175.396 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 113' ' ' THR . . . . . 0.514 HG22 ' O ' ' A' ' 110' ' ' ALA . 1.2 t -74.89 -35.3 62.27 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.727 -0.215 . . . . 74.22 110.74 -177.011 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 57.8 mt -66.89 -49.5 65.4 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.899 0.381 . . . . 61.01 110.506 -178.838 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 73.0 t -64.57 -36.17 76.66 Favored 'Isoleucine or valine' 0 C--O 1.238 0.499 0 CA-C-N 116.056 -0.52 . . . . 72.22 110.213 178.454 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 116' ' ' ASP . . . . . 0.446 ' HB2' ' O ' ' A' ' 112' ' ' LYS . 8.9 t70 -59.18 -61.39 2.67 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 115.65 -0.705 . . . . 63.5 110.008 179.493 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 117' ' ' ARG . . . . . 0.479 ' HG2' ' O ' ' A' ' 113' ' ' THR . 14.6 ptm180 -61.59 -36.3 80.29 Favored 'General case' 0 CA--C 1.523 -0.062 0 CA-C-N 116.102 -0.499 . . . . 65.24 110.359 -177.747 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -57.96 -44.82 87.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.839 -0.619 . . . . 63.41 110.841 177.805 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 59.8 m80 -80.37 -0.13 35.6 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 116.492 -0.322 . . . . 74.13 111.654 -179.631 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 10.6 m170 -97.49 -44.53 6.8 Favored 'General case' 0 N--CA 1.464 0.256 0 N-CA-C 109.923 -0.399 . . . . 75.14 109.923 173.269 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 28.9 m -79.44 -30.49 13.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.051 -0.522 . . . . 74.54 111.077 -177.373 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 71.4 m -140.69 70.35 30.84 Favored Pre-proline 0 CA--C 1.533 0.319 0 N-CA-C 112.235 0.457 . . . . 72.12 112.235 -178.789 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_endo -89.79 147.61 4.87 Favored 'Trans proline' 0 N--CA 1.453 -0.877 0 C-N-CA 122.46 2.107 . . . . 74.45 109.675 164.706 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 124' ' ' TYR . . . . . 0.444 ' OH ' ' HA ' ' B' ' 47' ' ' GLU . 0.7 OUTLIER -59.04 -30.9 68.37 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-O 121.7 0.762 . . . . 65.44 109.375 -178.829 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 125' ' ' SER . . . . . 0.572 ' O ' HG22 ' A' ' 128' ' ' THR . 50.2 m -158.31 140.76 14.36 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 107.291 -1.374 . . . . 62.44 107.291 170.842 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 42.3 m-80 -58.62 -31.91 68.52 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 118.585 0.629 . . . . 73.42 110.433 -179.078 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 127' ' ' ALA . . . . . 0.635 ' O ' ' HB3' ' A' ' 131' ' ' ASN . . . -84.21 6.68 21.73 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.068 -0.515 . . . . 54.1 111.958 -179.317 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 128' ' ' THR . . . . . 0.572 HG22 ' O ' ' A' ' 125' ' ' SER . 1.7 t -93.82 -5.39 48.25 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.223 -0.658 . . . . 73.21 109.223 -172.947 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 3.1 ptm180 -117.94 -45.47 2.67 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.298 -0.865 . . . . 72.04 111.207 -176.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -78.46 -55.48 5.18 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-O 120.904 0.383 . . . . 71.52 110.608 175.663 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 131' ' ' ASN . . . . . 0.635 ' HB3' ' O ' ' A' ' 127' ' ' ALA . 64.5 t30 -67.41 -43.87 80.17 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 115.803 -0.635 . . . . 72.12 110.168 -177.165 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 35.1 t -96.28 135.45 30.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.795 -0.639 . . . . 70.22 109.464 178.719 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 133' ' ' ALA . . . . . 0.409 ' HB3' ' O ' ' A' ' 95' ' ' LEU . . . -73.6 101.31 3.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.307 0.575 . . . . 45.42 111.836 -173.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 134' ' ' VAL . . . . . 0.423 HG22 ' HB ' ' A' ' 97' ' ' VAL . 50.1 t -124.05 125.0 70.13 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.348 0 CA-C-N 115.416 -0.811 . . . . 75.02 110.22 175.881 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 135' ' ' ARG . . . . . 0.472 ' HB3' ' HG2' ' A' ' 98' ' ' GLU . 21.4 ttt180 -100.78 119.68 38.99 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.448 -0.797 . . . . 72.41 109.718 179.576 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 41.0 mt -91.23 119.69 31.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.156 0.503 . . . . 50.04 111.265 -178.692 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 137' ' ' VAL . . . . . 0.553 ' O ' ' HA ' ' A' ' 100' ' ' ARG . 0.2 OUTLIER -126.65 115.1 40.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 115.526 -0.761 . . . . 74.42 109.878 178.585 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 2.9 m -91.92 138.9 18.81 Favored 'Isoleucine or valine' 0 C--O 1.238 0.486 0 CA-C-O 121.091 0.472 . . . . 53.11 110.05 -179.253 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.319 -0.737 0 CA-C-N 115.69 -0.686 . . . . 73.13 110.759 -176.915 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 1' ' ' MET . . . . . 0.548 ' HE3' HD13 ' B' ' 3' ' ' ILE . 18.7 ptt? . . . . . 0 C--O 1.234 0.26 0 CA-C-O 120.669 0.271 . . . . 72.42 111.059 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 43.5 t30 -77.55 74.17 4.12 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-O 121.57 0.7 . . . . 61.35 110.698 179.022 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 3' ' ' ILE . . . . . 0.577 HG21 ' HB2' ' B' ' 6' ' ' LYS . 30.1 mm -64.42 128.33 26.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.312 -0.858 . . . . 72.42 111.009 175.291 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.443 ' HG ' ' HD3' ' A' ' 87' ' ' PRO . 94.1 mt -81.31 -43.48 19.06 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.82 -0.627 . . . . 75.25 110.253 177.706 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 5' ' ' TYR . . . . . . . . . . . . . 22.8 t80 -140.66 129.81 23.54 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 116.268 -0.424 . . . . 75.45 110.615 -179.681 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 6' ' ' LYS . . . . . 0.577 ' HB2' HG21 ' B' ' 3' ' ' ILE . 31.0 ttmt -138.04 135.94 36.36 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.89 0.376 . . . . 65.01 110.946 177.638 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 7' ' ' THR . . . . . 0.487 HG21 ' HB2' ' A' ' 48' ' ' GLN . 9.8 t -127.86 145.67 50.87 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-N 115.885 -0.598 . . . . 72.52 109.901 178.256 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 8' ' ' ALA . . . . . 0.446 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . . . -110.48 134.76 52.05 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 116.35 -0.386 . . . . 64.22 110.596 -179.637 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -125.84 128.7 48.05 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.982 -0.377 . . . . 31.45 109.982 177.013 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 5.7 t -100.98 125.81 47.61 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.175 0.512 . . . . 64.31 110.135 -178.294 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 15.3 p -116.74 113.32 22.42 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.747 -0.66 . . . . 74.14 109.778 177.235 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 3.1 m -102.52 161.58 13.61 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.797 -0.638 . . . . 53.42 111.192 -175.457 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -76.06 75.48 1.52 Allowed Glycine 0 N--CA 1.449 -0.494 0 N-CA-C 111.641 -0.584 . . . . 71.12 111.641 172.711 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -69.89 -128.6 0.06 OUTLIER Glycine 0 CA--C 1.523 0.547 0 C-N-CA 121.576 -0.345 . . . . 73.4 112.507 175.247 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 2.2 tpm_? -64.0 -55.03 25.31 Favored 'General case' 0 N--CA 1.465 0.291 0 N-CA-C 109.726 -0.472 . . . . 65.14 109.726 176.58 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 16' ' ' ASP . . . . . 0.538 ' HB3' ' HA ' ' B' ' 31' ' ' SER . 37.4 t70 -126.5 -42.32 1.82 Allowed 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 108.822 -0.807 . . . . 65.33 108.822 170.109 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -155.45 152.96 24.41 Favored Glycine 0 N--CA 1.448 -0.549 0 CA-C-N 115.496 -0.775 . . . . 74.22 111.636 169.818 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 18' ' ' ARG . . . . . 0.439 ' HD3' ' O ' ' B' ' 28' ' ' VAL . 3.6 tpp180 -122.57 145.64 48.16 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 108.757 -0.831 . . . . 74.4 108.757 176.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 19' ' ' ALA . . . . . 0.457 ' HB1' ' HB1' ' A' ' 52' ' ' ALA . . . -134.15 123.34 24.22 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.46 -0.57 . . . . 64.21 109.46 172.416 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 38.1 m -140.61 112.15 7.41 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.928 -0.578 . . . . 75.11 110.149 -177.487 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 21' ' ' SER . . . . . 0.497 ' CB ' ' HB3' ' B' ' 26' ' ' LEU . 20.7 t -74.74 115.45 14.34 Favored 'General case' 0 C--O 1.249 1.027 0 N-CA-C 107.531 -1.285 . . . . 74.21 107.531 176.71 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 22' ' ' HIS . . . . . . . . . . . . . 74.0 t60 -68.19 -12.95 61.82 Favored 'General case' 0 C--N 1.343 0.305 0 O-C-N 125.929 2.018 . . . . 73.12 112.182 -164.548 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 23' ' ' ASP . . . . . 0.468 ' OD1' ' HE2' ' B' ' 25' ' ' LYS . 23.4 p30 -80.51 11.8 3.48 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 121.683 0.754 . . . . 63.54 109.325 172.758 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 32.2 mm-40 72.0 22.54 3.73 Favored 'General case' 0 CA--C 1.51 -0.558 0 CA-C-N 113.941 -1.481 . . . . 71.43 111.25 170.876 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 25' ' ' LYS . . . . . 0.468 ' HE2' ' OD1' ' B' ' 23' ' ' ASP . 48.7 mtmt -99.23 -13.63 19.63 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-N 115.81 -0.632 . . . . 41.25 111.625 177.79 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 26' ' ' LEU . . . . . 0.497 ' HB3' ' CB ' ' B' ' 21' ' ' SER . 62.6 tp -140.66 138.02 34.01 Favored 'General case' 0 C--N 1.347 0.476 0 C-N-CA 119.237 -0.985 . . . . 71.52 110.899 176.221 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -158.49 94.08 1.24 Allowed 'General case' 0 N--CA 1.463 0.202 0 O-C-N 123.508 0.505 . . . . 53.33 110.484 175.583 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 28' ' ' VAL . . . . . 0.439 ' O ' ' HD3' ' B' ' 18' ' ' ARG . 4.0 m -146.71 177.89 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.728 -0.669 . . . . 74.12 110.483 178.118 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 29' ' ' LYS . . . . . 0.467 ' HE2' ' HB3' ' B' ' 29' ' ' LYS . 0.6 OUTLIER -131.74 144.19 50.79 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.868 -0.606 . . . . 64.31 110.193 -177.974 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 30' ' ' LEU . . . . . 0.62 ' HA ' ' H ' ' B' ' 44' ' ' THR . 0.0 OUTLIER -125.06 167.04 15.31 Favored 'General case' 0 C--O 1.249 1.027 0 CA-C-N 116.329 -0.396 . . . . 72.32 110.227 178.463 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 31' ' ' SER . . . . . 0.538 ' HA ' ' HB3' ' B' ' 16' ' ' ASP . 50.6 m -160.58 133.58 6.54 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 115.892 -0.595 . . . . 62.35 111.431 -173.351 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -73.63 116.52 52.47 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 115.784 -0.644 . . . . 75.13 109.454 172.269 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 33' ' ' PRO . . . . . 0.642 ' HB2' ' HG2' ' B' ' 35' ' ' GLU . 25.3 Cg_endo -61.46 153.95 62.64 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.251 1.967 . . . . 71.3 112.042 -177.695 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 4.8 mmt180 -70.56 -11.16 60.75 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.075 -0.511 . . . . 71.43 110.616 -179.653 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 35' ' ' GLU . . . . . 0.642 ' HG2' ' HB2' ' B' ' 33' ' ' PRO . 6.2 mm-40 -48.83 -46.01 41.43 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 121.541 0.686 . . . . 72.42 110.647 177.513 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 27.0 mt -103.94 17.61 23.75 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.213 -0.903 . . . . 63.52 110.728 -175.089 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 80.87 37.99 17.47 Favored Glycine 0 N--CA 1.452 -0.3 0 CA-C-N 115.964 -0.562 . . . . 51.22 112.157 -178.277 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -88.07 -133.54 4.3 Favored Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 120.973 -0.632 . . . . 64.12 112.28 178.904 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -103.56 -29.13 11.32 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.976 0.417 . . . . 71.25 110.924 -175.615 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 81.86 83.99 0.79 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.905 -0.664 . . . . 53.13 112.075 -179.088 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -164.11 147.25 9.48 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.934 -0.395 . . . . 45.11 109.934 -179.453 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -88.94 76.56 7.86 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.81 0.814 . . . . 74.14 110.671 -178.152 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -112.54 -124.87 4.37 Favored Glycine 0 N--CA 1.452 -0.277 0 CA-C-N 114.93 -1.032 . . . . 72.12 111.288 175.598 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 44' ' ' THR . . . . . 0.62 ' H ' ' HA ' ' B' ' 30' ' ' LEU . 77.3 m -127.78 144.91 51.06 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.94 -0.393 . . . . 35.03 109.94 175.433 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 45' ' ' ASN . . . . . 0.444 ' HB2' ' HB3' ' B' ' 48' ' ' GLN . 14.3 m120 -79.88 143.0 57.07 Favored Pre-proline 0 CA--C 1.534 0.351 0 CA-C-N 116.214 -0.448 . . . . 71.14 110.238 178.78 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 46' ' ' PRO . . . . . 0.565 ' HB3' ' SG ' ' A' ' 57' ' ' CYS . 38.0 Cg_exo -61.32 -64.15 0.09 OUTLIER 'Trans proline' 0 C--N 1.35 0.633 0 C-N-CA 123.18 2.587 . . . . 54.41 113.116 -176.526 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 47' ' ' GLU . . . . . 0.477 ' HG2' HG21 ' B' ' 83' ' ' VAL . 0.0 OUTLIER -63.11 -30.25 71.44 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.009 -0.541 . . . . 73.03 110.311 -175.904 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 48' ' ' GLN . . . . . 0.444 ' HB3' ' HB2' ' B' ' 45' ' ' ASN . 7.7 tt0 -65.01 -42.95 93.97 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.581 -0.736 . . . . 65.22 110.395 175.058 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 49' ' ' LEU . . . . . 0.458 HD12 ' HA3' ' A' ' 53' ' ' GLY . 3.3 tm? -61.09 -47.77 84.76 Favored 'General case' 0 C--O 1.235 0.333 0 N-CA-C 109.074 -0.713 . . . . 73.15 109.074 179.366 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 46.0 t80 -58.78 -46.09 88.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.695 -0.684 . . . . 74.53 110.785 175.568 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 51' ' ' ALA . . . . . 0.416 ' HB2' ' CG1' ' B' ' 83' ' ' VAL . . . -52.45 -53.02 50.94 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.064 -0.516 . . . . 63.22 111.302 178.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.22 -46.87 88.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.054 -0.521 . . . . 74.31 110.896 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 53' ' ' GLY . . . . . 0.483 ' HA3' HD12 ' A' ' 49' ' ' LEU . . . -62.34 -42.06 99.73 Favored Glycine 0 N--CA 1.451 -0.309 0 CA-C-N 115.803 -0.635 . . . . 73.22 112.495 -179.322 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 8.7 t80 -75.49 -34.85 60.88 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 122.11 0.164 . . . . 73.14 110.923 -176.835 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 19.9 p -67.07 -44.66 79.51 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 109.881 -0.415 . . . . 71.55 109.881 178.093 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 56' ' ' ALA . . . . . 0.534 ' HB1' HD21 ' A' ' 30' ' ' LEU . . . -65.01 -43.38 92.7 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.913 -0.585 . . . . 72.32 110.361 175.72 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 57' ' ' CYS . . . . . 0.442 ' SG ' ' HE2' ' B' ' 124' ' ' TYR . 42.1 t -61.83 -36.22 80.53 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.686 -0.688 . . . . 72.4 110.627 178.363 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 11.9 t80 -60.64 -35.37 76.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.91 -0.586 . . . . 52.32 109.697 -179.043 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 96.8 mt -67.25 -41.25 85.91 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.637 -0.71 . . . . 64.41 110.121 175.861 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 21.2 m -64.76 -40.41 95.24 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 116.055 -0.521 . . . . 73.23 110.87 178.728 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.68 -50.71 56.31 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.009 0.433 . . . . 44.1 110.174 178.71 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 62' ' ' MET . . . . . 0.622 ' HG3' HD11 ' B' ' 73' ' ' LEU . 3.2 tpt -58.04 -30.78 66.42 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 115.714 -0.675 . . . . 71.0 109.876 176.647 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 38.9 ttmt -70.39 -48.13 57.62 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.646 -0.706 . . . . 72.03 110.482 177.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 66.7 t80 -59.75 -36.81 77.4 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 121.118 0.485 . . . . 73.11 109.779 178.584 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 52.9 t -63.45 -49.27 83.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.643 -0.708 . . . . 75.05 109.952 173.183 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 66' ' ' ALA . . . . . 0.461 ' HA ' ' HG3' ' B' ' 71' ' ' GLN . . . -56.26 -32.55 64.63 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.116 -0.493 . . . . 74.13 111.07 -179.785 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -70.12 -30.49 69.71 Favored Glycine 0 N--CA 1.453 -0.194 0 CA-C-N 115.699 -0.682 . . . . 75.04 112.003 -177.128 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 68' ' ' GLN . . . . . 0.401 ' HG3' HD22 ' B' ' 69' ' ' ASN . 11.2 pt20 -99.15 -15.13 19.06 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.221 0.534 . . . . 64.5 109.957 -179.077 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 69' ' ' ASN . . . . . 0.401 HD22 ' HG3' ' B' ' 68' ' ' GLN . 1.0 OUTLIER -92.9 -2.54 55.75 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.482 -0.781 . . . . 65.21 110.51 177.289 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 60.61 22.73 12.52 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 115.683 -0.69 . . . . 73.12 111.489 176.482 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 71' ' ' GLN . . . . . 0.461 ' HG3' ' HA ' ' B' ' 66' ' ' ALA . 1.6 pt20 -104.75 165.04 11.34 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.223 -0.899 . . . . 74.24 109.199 175.81 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 29.1 p -126.23 138.16 53.6 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.425 -0.352 . . . . 74.12 110.16 -177.601 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 73' ' ' LEU . . . . . 0.622 HD11 ' HG3' ' B' ' 62' ' ' MET . 95.8 mt -106.97 137.88 19.65 Favored Pre-proline 0 C--N 1.324 -0.506 0 CA-C-N 116.146 -0.479 . . . . 75.15 110.294 -179.067 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 74' ' ' PRO . . . . . 0.466 ' O ' HG22 ' B' ' 77' ' ' THR . 37.9 Cg_endo -66.4 139.25 53.57 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 123.012 2.474 . . . . 62.01 112.039 177.574 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -76.76 -7.76 56.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.325 0.583 . . . . 71.53 110.577 178.934 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -87.82 2.79 50.47 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 115.769 -0.651 . . . . 60.22 111.093 -179.365 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 77' ' ' THR . . . . . 0.466 HG22 ' O ' ' B' ' 74' ' ' PRO . 13.0 t -77.76 157.35 30.06 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.141 -0.481 . . . . 73.25 111.236 -177.223 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 8.4 m -148.49 149.08 31.03 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.167 -0.469 . . . . 71.23 110.428 -179.714 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 74.0 t -129.77 119.52 47.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 N-CA-C 109.115 -0.698 . . . . 54.24 109.115 173.066 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 80' ' ' THR . . . . . 0.401 ' HA ' ' HA ' ' A' ' 10' ' ' THR . 24.5 m -105.7 110.59 22.96 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.06 0.457 . . . . 72.42 110.566 -177.238 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -96.61 107.73 20.22 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.823 -0.626 . . . . 73.43 109.643 178.307 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 82' ' ' GLU . . . . . 0.423 ' HA ' ' HA ' ' A' ' 8' ' ' ALA . 35.8 tt0 -103.91 116.78 32.89 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.033 -0.728 . . . . 71.23 109.033 179.264 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 83' ' ' VAL . . . . . 0.477 HG21 ' HG2' ' B' ' 47' ' ' GLU . 14.2 m -105.51 146.83 11.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.959 -0.564 . . . . 71.44 111.17 -174.546 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 84' ' ' GLY . . . . . 0.445 ' HA2' ' HA ' ' A' ' 6' ' ' LYS . . . -141.94 158.64 26.79 Favored Glycine 0 N--CA 1.44 -1.073 0 CA-C-N 115.525 -0.761 . . . . 52.45 111.308 178.344 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -140.65 133.26 31.8 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 N-CA-C 109.238 -0.652 . . . . 73.1 109.238 -178.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 86' ' ' GLY . . . . . 0.403 ' HA2' ' HG ' ' A' ' 4' ' ' LEU . . . -149.63 169.65 29.83 Favored Glycine 0 CA--C 1.517 0.212 0 O-C-N 123.875 0.734 . . . . 52.3 111.448 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 87' ' ' PRO . . . . . 0.739 ' HD3' ' HG ' ' A' ' 4' ' ' LEU . 9.3 Cg_exo -71.13 127.29 13.33 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.743 2.295 . . . . 61.3 111.714 -178.589 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 88' ' ' ASN . . . . . 0.511 ' HB2' ' HB2' ' B' ' 94' ' ' ALA . 24.6 t-20 -73.56 160.08 32.18 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.605 -0.517 . . . . 72.3 109.605 179.26 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -65.09 -16.83 63.9 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-O 120.85 0.357 . . . . 65.22 110.997 -179.376 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -74.05 -21.32 59.99 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-O 121.202 0.525 . . . . 74.05 110.619 174.129 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.24 3.07 44.8 Favored Glycine 0 CA--C 1.519 0.322 0 CA-C-N 115.953 -0.567 . . . . 72.2 112.521 -177.467 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . -98.53 -152.21 27.64 Favored Glycine 0 C--N 1.329 0.194 0 N-CA-C 111.004 -0.838 . . . . 70.13 111.004 176.593 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 93' ' ' PHE . . . . . . . . . . . . . 9.7 m-85 -102.37 155.39 18.27 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 117.299 0.55 . . . . 73.12 110.727 174.793 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 94' ' ' ALA . . . . . 0.511 ' HB2' ' HB2' ' B' ' 88' ' ' ASN . . . -144.59 139.43 28.12 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.396 -0.82 . . . . 62.21 109.312 178.362 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -100.8 149.34 23.94 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.159 0.504 . . . . 74.21 110.858 -178.078 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 96' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -137.72 110.53 7.64 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 114.92 -1.036 . . . . 73.53 108.514 178.837 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 97' ' ' VAL . . . . . 0.495 ' O ' ' HA ' ' B' ' 134' ' ' VAL . 2.4 p -122.92 117.44 51.8 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.082 0 CA-C-O 121.15 0.5 . . . . 65.34 111.253 -176.032 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -106.14 118.59 37.03 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.817 -0.629 . . . . 74.42 110.298 179.826 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 82.8 mt -95.89 111.81 23.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.576 -0.738 . . . . 61.12 109.572 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 100' ' ' ARG . . . . . 0.586 ' HA ' ' O ' ' B' ' 137' ' ' VAL . 86.7 mtt180 -99.04 113.35 25.5 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 110.056 -0.349 . . . . 64.11 110.056 -177.14 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 101' ' ' VAL . . . . . . . . . . . . . 82.5 t -98.21 111.64 28.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.889 -0.596 . . . . 60.12 110.559 -176.624 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -114.14 101.56 9.32 Favored 'General case' 0 C--O 1.236 0.358 0 O-C-N 123.353 0.408 . . . . 53.32 110.028 177.365 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 103' ' ' LEU . . . . . 0.708 HD23 HD22 ' B' ' 106' ' ' LEU . 31.8 tp -113.85 120.4 39.14 Favored Pre-proline 0 C--N 1.324 -0.523 0 N-CA-C 108.687 -0.856 . . . . 72.24 108.687 178.754 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 104' ' ' PRO . . . . . 0.481 ' HD2' HD12 ' B' ' 103' ' ' LEU . 39.2 Cg_endo -69.91 144.27 52.74 Favored 'Trans proline' 0 N--CA 1.459 -0.52 0 C-N-CA 122.083 1.855 . . . . 74.24 111.978 -175.878 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 105' ' ' GLY . . . . . . . . . . . . . . . 72.0 15.17 76.26 Favored Glycine 0 CA--C 1.521 0.439 0 CA-C-N 115.38 -0.827 . . . . 72.34 112.622 -176.815 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 106' ' ' LEU . . . . . 0.708 HD22 HD23 ' B' ' 103' ' ' LEU . 36.2 tp -118.47 139.5 51.32 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 120.913 0.387 . . . . 60.53 111.121 -179.128 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -86.13 148.36 25.72 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.605 -0.725 . . . . 63.12 110.318 174.027 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 108' ' ' ALA . . . . . 0.5 ' O ' ' HG2' ' B' ' 112' ' ' LYS . . . -61.46 -38.88 88.84 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.851 0.357 . . . . 34.32 110.695 178.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -55.59 -42.37 74.71 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 115.946 -0.57 . . . . 64.51 111.379 -179.549 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 110' ' ' ALA . . . . . 0.489 ' O ' HG22 ' B' ' 113' ' ' THR . . . -77.8 -38.08 47.3 Favored 'General case' 0 C--O 1.239 0.539 0 CA-C-O 121.402 0.62 . . . . 72.03 110.173 177.342 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 111' ' ' ALA . . . . . 0.479 ' O ' HG23 ' B' ' 115' ' ' VAL . . . -56.14 -34.91 66.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.395 -0.821 . . . . 64.14 110.809 179.248 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 112' ' ' LYS . . . . . 0.5 ' HG2' ' O ' ' B' ' 108' ' ' ALA . 29.7 mmmt -53.74 -49.37 68.3 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-N 116.29 -0.414 . . . . 74.45 110.691 177.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 113' ' ' THR . . . . . 0.489 HG22 ' O ' ' B' ' 110' ' ' ALA . 1.3 t -74.73 -36.2 62.67 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.399 -0.364 . . . . 72.03 110.364 -177.352 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 114' ' ' LEU . . . . . 0.451 ' HG ' ' O ' ' B' ' 110' ' ' ALA . 51.9 mt -63.16 -46.09 88.78 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-O 120.876 0.369 . . . . 70.23 110.645 -178.857 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 115' ' ' VAL . . . . . 0.532 HG21 HG12 ' B' ' 138' ' ' VAL . 58.3 t -68.69 -36.7 75.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.992 -0.549 . . . . 63.55 110.251 178.595 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -58.87 -51.93 67.93 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-N 116.11 -0.496 . . . . 75.43 110.648 179.535 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 117' ' ' ARG . . . . . 0.471 ' HG2' ' O ' ' B' ' 113' ' ' THR . 5.9 ptm180 -69.98 -46.79 64.43 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-N 115.892 -0.595 . . . . 70.2 110.805 -177.371 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -60.71 -45.33 94.66 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 121.18 0.514 . . . . 61.11 110.983 -176.934 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 119' ' ' HIS . . . . . 0.545 ' CD2' ' HB3' ' B' ' 129' ' ' ARG . 46.3 t60 -75.0 -1.16 21.4 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 115.753 -0.658 . . . . 74.31 110.683 -177.928 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 120' ' ' HIS . . . . . 0.525 ' HB2' ' NH1' ' B' ' 129' ' ' ARG . 42.3 t-80 -108.58 -40.94 4.95 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 116.152 -0.476 . . . . 61.52 111.16 178.837 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 121' ' ' VAL . . . . . 0.427 HG22 ' O ' ' B' ' 117' ' ' ARG . 24.4 m -92.45 -26.58 4.84 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.428 0 N-CA-C 112.373 0.508 . . . . 63.42 112.373 -172.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 122' ' ' CYS . . . . . 0.542 ' N ' ' HD3' ' B' ' 123' ' ' PRO . 66.6 m -139.45 58.01 11.33 Favored Pre-proline 0 CA--C 1.534 0.342 0 CA-C-O 120.8 0.333 . . . . 74.53 111.815 -178.66 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 123' ' ' PRO . . . . . 0.542 ' HD3' ' N ' ' B' ' 122' ' ' CYS . 53.7 Cg_endo -101.0 -170.3 0.09 OUTLIER 'Trans proline' 0 N--CA 1.452 -0.952 0 C-N-CA 123.274 2.649 . . . . 65.25 111.668 174.072 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 124' ' ' TYR . . . . . 0.442 ' HE2' ' SG ' ' B' ' 57' ' ' CYS . 4.3 m-30 . . . . . 0 C--N 1.328 -0.34 0 N-CA-C 109.795 -0.446 . . . . 65.35 109.795 172.513 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 128' ' ' THR . . . . . 0.518 HG23 ' NE2' ' B' ' 119' ' ' HIS . 4.5 t . . . . . 0 CA--C 1.516 -0.356 0 N-CA-C 108.418 -0.956 . . . . 55.14 108.418 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 129' ' ' ARG . . . . . 0.545 ' HB3' ' CD2' ' B' ' 119' ' ' HIS . 15.7 ptm180 -135.45 -52.46 0.76 Allowed 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 114.829 -1.078 . . . . 75.21 111.005 178.291 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 130' ' ' ASN . . . . . . . . . . . . . 83.9 m-20 -78.91 -28.1 43.89 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.788 -0.642 . . . . 74.14 112.217 -175.28 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 131' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -98.62 -42.31 7.32 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.999 0.428 . . . . 75.43 111.025 -175.609 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 132' ' ' VAL . . . . . . . . . . . . . 67.5 t -100.31 139.37 21.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.862 -0.608 . . . . 52.13 110.487 -173.796 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 133' ' ' ALA . . . . . . . . . . . . . . . -69.26 83.33 0.36 Allowed 'General case' 0 C--O 1.241 0.62 0 CA-C-O 121.89 0.852 . . . . 72.23 111.023 -178.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 134' ' ' VAL . . . . . 0.495 ' HA ' ' O ' ' B' ' 97' ' ' VAL . 22.1 t -114.26 122.87 69.25 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.801 0 CA-C-N 114.29 -1.323 . . . . 61.1 110.07 177.459 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 135' ' ' ARG . . . . . 0.408 HH11 ' HD2' ' B' ' 135' ' ' ARG . 2.5 tpm_? -94.03 105.47 17.48 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.652 -0.499 . . . . 74.32 109.652 176.449 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 80.7 mt -77.29 101.96 6.51 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-O 121.339 0.59 . . . . 72.41 109.657 175.767 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 137' ' ' VAL . . . . . 0.586 ' O ' ' HA ' ' B' ' 100' ' ' ARG . 0.2 OUTLIER -112.99 114.59 47.41 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 CA-C-N 114.707 -1.133 . . . . 72.22 110.062 -176.979 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 138' ' ' VAL . . . . . 0.532 HG12 HG21 ' B' ' 115' ' ' VAL . 3.5 m -96.81 138.61 21.44 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-N 115.172 -0.922 . . . . 70.52 109.302 -179.035 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 139' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.219 0 CA-C-O 118.548 -0.739 . . . . 71.35 110.87 -175.174 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.4 ptt? . . . . . 0 N--CA 1.485 1.32 0 N-CA-C 110.629 -0.137 . . . . 71.43 110.629 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 55.9 t30 -73.39 77.95 1.38 Allowed 'General case' 0 CA--C 1.532 0.269 0 CA-C-O 121.429 0.633 . . . . 75.52 110.696 176.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.523 HG21 ' HB2' ' A' ' 6' ' ' LYS . 38.2 mm -71.33 136.74 25.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.382 -0.826 . . . . 51.02 111.346 175.916 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.599 ' HG ' ' HD3' ' B' ' 87' ' ' PRO . 89.9 mt -90.5 -47.36 7.75 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.558 -0.746 . . . . 74.21 110.208 175.397 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 50.8 t80 -136.2 130.73 33.6 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.39 -0.368 . . . . 54.43 110.144 178.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.523 ' HB2' HG21 ' A' ' 3' ' ' ILE . 37.6 ttmt -130.02 132.49 46.25 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.939 0.4 . . . . 62.42 110.804 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 10.1 t -124.17 174.02 7.94 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.695 -0.684 . . . . 73.02 109.458 177.681 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -145.6 134.67 22.69 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-O 120.701 0.286 . . . . 64.34 110.998 -177.83 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -130.78 120.36 23.65 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.889 -0.596 . . . . 65.14 109.807 178.655 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.55 ' HA ' ' HA ' ' B' ' 80' ' ' THR . 13.7 t -98.31 146.85 25.26 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.953 -0.388 . . . . 73.43 109.953 -177.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 41.4 p -144.53 114.4 7.31 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.894 0.378 . . . . 71.32 111.551 -177.505 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 6.8 m -89.94 159.22 17.03 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.07 -0.514 . . . . 72.12 110.451 178.674 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -92.27 47.85 2.64 Favored Glycine 0 N--CA 1.454 -0.119 0 N-CA-C 110.985 -0.846 . . . . 62.44 110.985 174.497 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -44.04 -98.27 0.01 OUTLIER Glycine 0 C--N 1.341 0.815 0 N-CA-C 114.973 0.749 . . . . 62.02 114.973 -169.271 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.527 ' HA ' ' NE ' ' A' ' 15' ' ' ARG . 4.2 mmp_? -89.17 -54.87 3.91 Favored 'General case' 0 N--CA 1.464 0.243 0 O-C-N 122.481 -0.423 . . . . 73.04 110.085 178.852 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -123.2 -43.28 2.21 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 108.026 -1.102 . . . . 74.22 108.026 171.472 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.418 ' O ' ' HG3' ' A' ' 29' ' ' LYS . . . -164.78 164.41 36.93 Favored Glycine 0 C--N 1.338 0.671 0 N-CA-C 111.36 -0.696 . . . . 73.12 111.36 163.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.497 ' HA ' ' HA ' ' A' ' 29' ' ' LYS . 38.3 ttm180 -140.04 145.85 38.24 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 109.383 -0.599 . . . . 73.24 109.383 177.34 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.493 ' HB2' ' HB2' ' B' ' 56' ' ' ALA . . . -144.43 123.88 13.14 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.988 0.423 . . . . 71.12 110.22 178.219 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 31.9 m -138.28 111.58 8.01 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.845 -0.616 . . . . 63.53 110.598 -178.335 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.576 ' HB3' ' N ' ' A' ' 26' ' ' LEU . 29.0 t -70.58 107.81 4.05 Favored 'General case' 0 C--O 1.245 0.849 0 N-CA-C 107.138 -1.43 . . . . 62.3 107.138 173.023 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.427 ' C ' ' H ' ' A' ' 24' ' ' GLN . 0.0 OUTLIER -58.52 -21.07 51.07 Favored 'General case' 0 N--CA 1.468 0.446 0 O-C-N 125.359 1.662 . . . . 71.44 112.465 -163.785 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -80.45 16.46 1.32 Allowed 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.672 -0.492 . . . . 73.43 109.672 177.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.427 ' H ' ' C ' ' A' ' 22' ' ' HIS . 30.0 mm-40 65.29 22.05 12.05 Favored 'General case' 0 CA--C 1.521 -0.166 0 CA-C-N 115.186 -0.915 . . . . 72.53 110.292 -179.63 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.543 ' HE2' ' HA ' ' A' ' 25' ' ' LYS . 11.5 mmpt? -81.11 -22.82 38.83 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.439 -0.801 . . . . 73.44 109.9 177.154 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.576 ' N ' ' HB3' ' A' ' 21' ' ' SER . 45.9 tp -154.09 142.93 21.03 Favored 'General case' 0 C--O 1.225 -0.234 0 C-N-CA 120.625 -0.43 . . . . 74.42 110.712 177.642 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -155.88 96.8 1.77 Allowed 'General case' 0 C--N 1.327 -0.373 0 O-C-N 123.312 0.383 . . . . 74.13 110.777 174.795 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.409 HG22 HD11 ' A' ' 26' ' ' LEU . 2.6 m -147.75 166.15 5.44 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.226 0 CA-C-O 121.608 0.718 . . . . 62.12 111.577 176.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.497 ' HA ' ' HA ' ' A' ' 18' ' ' ARG . 10.9 ttpp -110.67 137.23 48.61 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 114.707 -1.133 . . . . 62.42 109.068 172.641 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.626 ' HB2' ' O ' ' A' ' 44' ' ' THR . 0.0 OUTLIER -123.92 177.25 5.85 Favored 'General case' 0 C--O 1.249 1.07 0 CA-C-O 120.997 0.427 . . . . 64.12 110.796 -178.493 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.522 ' HB3' ' HB3' ' A' ' 41' ' ' ALA . 34.0 p -152.84 130.24 11.36 Favored 'General case' 0 N--CA 1.446 -0.66 0 CA-C-N 115.391 -0.822 . . . . 75.34 111.338 -173.535 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.439 ' HB2' ' HB3' ' B' ' 60' ' ' SER . . . -68.59 162.64 61.15 Favored Pre-proline 0 C--N 1.326 -0.448 0 N-CA-C 109.079 -0.711 . . . . 52.21 109.079 171.517 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_exo -59.09 82.79 0.05 OUTLIER 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 121.56 1.507 . . . . 73.33 111.47 175.458 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.514 ' HG3' ' N ' ' A' ' 40' ' ' GLY . 4.0 tmt_? -56.26 -21.5 24.15 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-O 121.21 0.528 . . . . 50.12 110.109 177.667 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 36.7 mm-40 -54.31 -26.6 30.37 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.171 -0.922 . . . . 75.14 111.654 176.747 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 61.0 mt -113.21 -39.42 4.17 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.115 -0.493 . . . . 63.44 110.585 -173.501 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 172.97 65.22 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 121.155 -0.545 . . . . 72.22 112.125 178.445 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.503 ' N ' ' HA ' ' A' ' 34' ' ' ARG . . . -111.37 -132.69 6.08 Favored Glycine 0 N--CA 1.46 0.292 0 C-N-CA 120.738 -0.744 . . . . 73.44 112.578 178.905 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -134.6 -28.05 1.28 Allowed 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 122.521 0.329 . . . . 63.22 111.178 179.57 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.514 ' N ' ' HG3' ' A' ' 34' ' ' ARG . . . 107.34 96.2 2.44 Favored Glycine 0 C--N 1.336 0.538 0 C-N-CA 120.858 -0.687 . . . . 45.53 113.325 176.79 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.522 ' HB3' ' HB3' ' A' ' 31' ' ' SER . . . -164.62 161.27 20.84 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.698 -0.482 . . . . 44.21 109.698 174.351 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -103.43 66.12 0.87 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.36 0.6 . . . . 71.23 110.452 -178.354 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.451 ' HA3' ' HA ' ' A' ' 30' ' ' LEU . . . -120.15 -152.37 8.95 Favored Glycine 0 N--CA 1.452 -0.274 0 CA-C-N 115.974 -0.557 . . . . 55.55 112.598 -177.632 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.626 ' O ' ' HB2' ' A' ' 30' ' ' LEU . 62.3 m -98.62 140.77 32.34 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 122.562 0.345 . . . . 74.01 110.422 -177.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 19.2 m120 -80.39 131.62 61.32 Favored Pre-proline 0 C--N 1.325 -0.49 0 N-CA-C 110.653 -0.128 . . . . 72.33 110.653 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.808 ' HB3' ' SG ' ' B' ' 57' ' ' CYS . 90.7 Cg_exo -47.62 -45.65 22.98 Favored 'Trans proline' 0 C--N 1.351 0.671 0 C-N-CA 123.605 2.87 . . . . 63.04 112.705 178.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.566 ' HG2' HD11 ' A' ' 95' ' ' LEU . 3.7 mp0 -56.29 -50.74 70.53 Favored 'General case' 0 C--O 1.238 0.466 0 CA-C-N 115.458 -0.792 . . . . 62.13 109.78 -178.531 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -65.7 -38.44 89.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 114.844 -1.071 . . . . 72.35 110.122 -178.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.531 HD12 ' HA3' ' B' ' 53' ' ' GLY . 1.9 tm? -60.25 -51.42 69.64 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.226 -0.443 . . . . 71.11 109.884 -177.04 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 55.8 t80 -62.54 -47.82 82.2 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.153 -0.476 . . . . 64.45 110.44 178.082 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.544 ' HB1' ' HB1' ' A' ' 81' ' ' ALA . . . -55.03 -53.25 58.19 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 116.321 -0.4 . . . . 52.03 111.756 -179.314 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.51 -47.07 77.23 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.214 -0.448 . . . . 51.43 110.672 -178.207 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.404 ' HA3' HD12 ' B' ' 49' ' ' LEU . . . -58.57 -38.45 91.33 Favored Glycine 0 C--O 1.227 -0.288 0 CA-C-N 115.857 -0.61 . . . . 45.35 111.89 177.856 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -68.3 -42.09 79.95 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 122.595 0.358 . . . . 71.4 110.139 178.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 50.8 m -61.74 -52.27 64.94 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-O 121.123 0.487 . . . . 50.31 110.208 178.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.523 ' HB1' HD21 ' B' ' 30' ' ' LEU . . . -60.79 -42.51 97.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.771 -0.65 . . . . 72.41 110.582 177.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 50.8 t -61.97 -36.5 81.63 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.048 -0.523 . . . . 74.4 110.257 178.426 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 21.9 t80 -66.91 -34.87 78.72 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 109.697 -0.483 . . . . 64.12 109.697 -179.376 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.462 HD21 HG23 ' A' ' 79' ' ' VAL . 96.0 mt -70.78 -34.85 72.23 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 115.964 -0.562 . . . . 74.12 110.594 176.695 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 33.2 t -68.71 -44.61 73.55 Favored 'General case' 0 C--O 1.236 0.362 0 N-CA-C 109.523 -0.547 . . . . 74.4 109.523 175.658 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.443 ' O ' HG23 ' A' ' 65' ' ' VAL . . . -60.08 -50.43 73.73 Favored 'General case' 0 C--O 1.223 -0.324 0 CA-C-N 115.622 -0.717 . . . . 64.15 110.169 178.093 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.94 -32.09 69.29 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 116.233 -0.439 . . . . 61.32 110.968 177.64 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.54 ' HB2' ' HZ2' ' A' ' 63' ' ' LYS . 4.4 ttmp? -65.0 -49.4 70.39 Favored 'General case' 0 C--O 1.235 0.322 0 N-CA-C 109.814 -0.439 . . . . 62.32 109.814 177.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 84.4 t80 -64.31 -43.84 93.43 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 115.812 -0.631 . . . . 70.35 110.729 178.287 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.443 HG23 ' O ' ' A' ' 61' ' ' ALA . 54.3 t -54.7 -49.71 65.97 Favored 'Isoleucine or valine' 0 C--O 1.235 0.298 0 CA-C-N 116.138 -0.483 . . . . 51.41 110.167 177.567 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.501 ' HA ' ' HG3' ' A' ' 71' ' ' GLN . . . -56.29 -32.78 64.9 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.962 -0.563 . . . . 55.45 109.881 176.472 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -71.91 -29.45 67.1 Favored Glycine 0 CA--C 1.518 0.234 0 CA-C-N 115.219 -0.9 . . . . 65.01 112.585 -177.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -99.05 -9.54 23.77 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 121.282 0.563 . . . . 73.33 109.858 -179.491 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 24.1 m-80 -103.2 3.02 35.2 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.357 -0.838 . . . . 73.35 110.113 175.424 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.438 ' N ' ' HD3' ' A' ' 70' ' ' LYS . 17.7 mmtp 64.6 19.64 11.88 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 114.868 -1.06 . . . . 70.5 111.422 171.082 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.501 ' HG3' ' HA ' ' A' ' 66' ' ' ALA . 2.9 pt20 -110.68 168.44 9.47 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.11 -0.95 . . . . 65.11 110.063 -179.213 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 3.6 p -127.93 138.05 52.5 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.346 -0.388 . . . . 71.13 110.43 178.14 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.402 ' HA ' ' HD3' ' A' ' 74' ' ' PRO . 94.7 mt -109.12 143.42 27.62 Favored Pre-proline 0 CA--C 1.533 0.323 0 CA-C-N 116.086 -0.507 . . . . 63.13 110.01 -178.787 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.506 ' HB2' ' HG2' ' A' ' 104' ' ' PRO . 31.5 Cg_exo -59.69 131.66 41.29 Favored 'Trans proline' 0 C--N 1.352 0.711 0 C-N-CA 123.048 2.498 . . . . 75.32 112.564 -178.222 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -77.28 0.38 22.3 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 112.054 0.39 . . . . 74.43 112.054 -177.749 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -90.96 1.29 57.16 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.21 0.529 . . . . 72.44 111.172 -178.622 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.411 ' HB ' HD12 ' A' ' 103' ' ' LEU . 9.9 t -74.21 152.55 39.75 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.732 -0.667 . . . . 73.42 112.092 -173.803 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 14.4 m -146.77 149.32 33.15 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 115.577 -0.738 . . . . 65.01 110.164 179.505 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.462 HG23 HD21 ' A' ' 59' ' ' LEU . 69.8 t -126.55 121.65 59.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 N-CA-C 109.564 -0.532 . . . . 73.54 109.564 175.122 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 18.4 m -104.79 111.81 24.69 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.946 0.403 . . . . 61.0 110.626 -178.289 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.544 ' HB1' ' HB1' ' A' ' 51' ' ' ALA . . . -96.37 108.81 21.38 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.913 -0.585 . . . . 75.0 110.07 -179.055 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.434 ' HA ' ' HA ' ' B' ' 8' ' ' ALA . 41.7 tt0 -105.47 107.86 19.07 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.171 -0.468 . . . . 74.0 109.998 -177.351 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.472 HG12 ' HB ' ' A' ' 97' ' ' VAL . 24.7 m -104.85 137.67 33.06 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.329 0 CA-C-O 121.079 0.466 . . . . 74.25 111.642 -174.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -133.85 154.38 21.3 Favored Glycine 0 N--CA 1.444 -0.815 0 N-CA-C 110.78 -0.928 . . . . 64.22 110.78 174.342 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.429 ' CG2' ' HB3' ' B' ' 5' ' ' TYR . 0.0 OUTLIER -137.37 132.54 45.85 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 N-CA-C 109.603 -0.517 . . . . 71.32 109.603 -179.826 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -150.74 169.55 30.56 Favored Glycine 0 CA--C 1.517 0.195 0 CA-C-N 115.635 -0.711 . . . . 64.2 111.496 178.203 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.656 ' HD3' ' HG ' ' B' ' 4' ' ' LEU . 3.4 Cg_exo -78.97 120.16 4.55 Favored 'Trans proline' 0 N--CA 1.46 -0.498 0 C-N-CA 122.757 2.305 . . . . 75.13 111.181 -178.403 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ASN . . . . . 0.471 ' HB3' ' HB2' ' A' ' 94' ' ' ALA . 32.7 p30 -84.87 168.92 14.62 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.997 0.427 . . . . 63.43 111.131 -177.617 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -55.74 -27.74 52.2 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 115.346 -0.843 . . . . 74.31 111.131 178.407 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -69.34 -27.42 65.33 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 116.05 -0.523 . . . . 62.35 110.832 -177.374 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.12 15.84 20.56 Favored Glycine 0 C--O 1.233 0.078 0 C-N-CA 121.125 -0.56 . . . . 52.42 112.298 179.197 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -121.92 -165.39 12.52 Favored Glycine 0 N--CA 1.452 -0.278 0 N-CA-C 111.254 -0.739 . . . . 74.12 111.254 176.766 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 41.4 m-85 -98.05 129.38 44.9 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.905 0.383 . . . . 72.25 110.07 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.471 ' HB2' ' HB3' ' A' ' 88' ' ' ASN . . . -116.95 134.38 54.83 Favored 'General case' 0 C--O 1.238 0.496 0 CA-C-N 115.827 -0.624 . . . . 73.43 110.252 -178.435 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.566 HD11 ' HG2' ' A' ' 47' ' ' GLU . 4.4 mm? -100.95 120.36 40.06 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.572 -0.74 . . . . 75.45 110.685 -179.335 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -110.03 110.34 21.22 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 108.406 -0.961 . . . . 62.1 108.406 175.314 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.472 ' HB ' HG12 ' A' ' 83' ' ' VAL . 2.1 p -119.97 111.95 34.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 121.47 0.652 . . . . 41.42 111.648 -175.743 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.468 ' HA ' ' HB2' ' A' ' 135' ' ' ARG . 51.0 mt-10 -84.99 105.97 16.14 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.333 -0.849 . . . . 51.52 109.205 176.462 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 23.9 tp -93.65 109.47 21.11 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.562 -0.533 . . . . 73.33 109.562 -177.561 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.597 ' HA ' ' O ' ' A' ' 137' ' ' VAL . 49.6 mtt-85 -99.46 116.72 32.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.034 -0.53 . . . . 73.43 110.726 -173.335 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 41.9 t -103.72 99.77 9.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 115.938 -0.573 . . . . 72.23 110.339 -176.839 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -99.12 101.66 13.08 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-O 120.876 0.369 . . . . 73.1 110.411 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.797 HD23 HD22 ' A' ' 106' ' ' LEU . 32.7 tp -115.71 117.46 40.04 Favored Pre-proline 0 C--N 1.328 -0.368 0 N-CA-C 109.3 -0.63 . . . . 73.31 109.3 179.131 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' PRO . . . . . 0.555 ' HD2' HD12 ' A' ' 103' ' ' LEU . 57.4 Cg_endo -71.79 150.7 56.39 Favored 'Trans proline' 0 C--O 1.235 0.327 0 C-N-CA 122.764 2.309 . . . . 73.52 112.075 -177.303 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 73.56 15.13 79.28 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.688 -0.767 . . . . 54.45 111.94 -177.824 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.797 HD22 HD23 ' A' ' 103' ' ' LEU . 41.8 tp -129.9 143.04 50.6 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 122.706 0.402 . . . . 65.03 110.919 -176.798 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' ASP . . . . . 0.427 ' HB3' ' H ' ' A' ' 110' ' ' ALA . 1.6 t70 -81.06 165.54 21.56 Favored 'General case' 0 CA--C 1.511 -0.522 0 CA-C-N 116.08 -0.509 . . . . 72.42 110.835 177.474 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.454 ' O ' ' HG3' ' A' ' 112' ' ' LYS . . . -68.77 -46.47 68.69 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.723 -0.671 . . . . 74.35 109.763 168.463 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -59.41 -41.5 89.64 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-N 115.251 -0.886 . . . . 64.13 111.019 -176.609 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.554 ' O ' HG22 ' A' ' 113' ' ' THR . . . -76.64 -43.44 38.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.135 -0.484 . . . . 73.25 109.986 177.691 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -54.53 -34.9 62.57 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 116.054 -0.521 . . . . 54.13 111.369 178.421 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.454 ' HG3' ' O ' ' A' ' 108' ' ' ALA . 10.5 mtpm? -54.63 -49.57 70.2 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.392 -0.367 . . . . 74.23 111.031 179.58 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' THR . . . . . 0.554 HG22 ' O ' ' A' ' 110' ' ' ALA . 5.8 t -74.71 -40.07 61.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.851 0.357 . . . . 74.22 110.308 -178.516 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.445 ' HG ' ' O ' ' A' ' 110' ' ' ALA . 42.6 mt -61.97 -49.05 77.66 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.211 -0.45 . . . . 61.01 111.123 -176.836 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 93.7 t -66.11 -35.68 75.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 121.018 0.437 . . . . 72.22 110.074 178.818 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -60.41 -60.54 3.65 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 115.636 -0.711 . . . . 63.5 110.401 179.446 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' ARG . . . . . 0.528 ' HG2' ' O ' ' A' ' 113' ' ' THR . 12.1 ptm180 -62.91 -38.05 89.41 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.955 -0.566 . . . . 65.24 110.829 -177.552 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -59.34 -51.11 71.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.994 -0.548 . . . . 63.41 110.675 178.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 37.0 t-80 -68.13 -21.56 64.92 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 116.37 -0.377 . . . . 74.13 110.512 -179.262 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 17.3 m170 -71.53 -54.57 10.11 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 120.948 0.404 . . . . 75.14 110.653 177.293 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 34.3 m -75.04 -29.51 22.15 Favored 'Isoleucine or valine' 0 C--O 1.235 0.306 0 CA-C-N 115.872 -0.604 . . . . 74.54 111.743 -173.516 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 14.1 p -145.82 88.89 6.3 Favored Pre-proline 0 CA--C 1.532 0.264 0 CA-C-O 120.836 0.351 . . . . 72.12 111.044 -179.743 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' PRO . . . . . 0.499 ' O ' ' HB2' ' A' ' 124' ' ' TYR . 17.6 Cg_endo -91.83 -78.19 0.0 OUTLIER 'Trans proline' 0 N--CA 1.453 -0.868 0 C-N-CA 122.888 2.392 . . . . 74.45 111.798 174.427 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 124' ' ' TYR . . . . . 0.499 ' HB2' ' O ' ' A' ' 123' ' ' PRO . 0.3 OUTLIER 165.14 -34.44 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 106.609 -1.626 . . . . 65.44 106.609 177.658 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 125' ' ' SER . . . . . 0.54 ' O ' HG22 ' A' ' 128' ' ' THR . 42.1 p -166.1 155.08 11.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 113.722 -1.581 . . . . 62.44 107.901 171.847 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 16.1 m120 -63.73 -31.98 73.32 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.867 0.842 . . . . 73.42 109.417 178.238 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' ALA . . . . . 0.529 ' O ' ' HB3' ' A' ' 131' ' ' ASN . . . -80.54 6.7 11.74 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 114.859 -1.064 . . . . 54.1 112.279 -176.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 128' ' ' THR . . . . . 0.54 HG22 ' O ' ' A' ' 125' ' ' SER . 5.1 t -89.06 -5.0 58.19 Favored 'General case' 0 CA--C 1.514 -0.414 0 N-CA-C 107.807 -1.183 . . . . 73.21 107.807 -175.848 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 7.4 ptm180 -129.94 -40.08 1.36 Allowed 'General case' 0 N--CA 1.444 -0.766 0 CA-C-N 114.066 -1.424 . . . . 72.04 109.622 179.276 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 88.3 m-20 -78.71 -26.16 44.79 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.336 -0.847 . . . . 71.52 111.592 -177.366 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 131' ' ' ASN . . . . . 0.529 ' HB3' ' O ' ' A' ' 127' ' ' ALA . 67.0 t30 -103.97 -40.09 6.34 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 121.269 0.557 . . . . 72.12 109.563 178.871 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 20.9 t -98.16 121.52 48.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 115.306 -0.861 . . . . 70.22 109.876 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -76.16 98.65 4.45 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.086 0.469 . . . . 45.42 111.012 -176.765 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 134' ' ' VAL . . . . . 0.403 HG22 ' CG1' ' A' ' 97' ' ' VAL . 9.8 t -110.39 133.52 55.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.834 -0.621 . . . . 75.02 111.014 -179.718 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 135' ' ' ARG . . . . . 0.468 ' HB2' ' HA ' ' A' ' 98' ' ' GLU . 18.7 mmt180 -96.47 106.84 19.15 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.645 -0.872 . . . . 72.41 108.645 173.734 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 28.4 mt -77.27 101.56 6.31 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-O 121.445 0.641 . . . . 50.04 110.192 177.387 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 137' ' ' VAL . . . . . 0.597 ' O ' ' HA ' ' A' ' 100' ' ' ARG . 0.2 OUTLIER -113.69 116.22 51.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.1 -0.955 . . . . 74.42 109.925 -177.901 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 4.0 m -92.67 139.09 18.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.712 -0.676 . . . . 53.11 110.493 -177.637 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.316 -0.886 0 CA-C-N 115.452 -0.795 . . . . 73.13 110.566 -176.34 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 28.1 ptm . . . . . 0 C--O 1.233 0.218 0 CA-C-O 120.889 0.376 . . . . 72.42 110.69 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 42.1 t30 -97.72 86.01 3.7 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.885 -0.598 . . . . 61.35 109.862 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 3' ' ' ILE . . . . . 0.516 HG21 ' HB2' ' B' ' 6' ' ' LYS . 32.1 mm -67.43 112.29 2.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.055 -0.52 . . . . 72.42 111.319 177.728 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.656 ' HG ' ' HD3' ' A' ' 87' ' ' PRO . 80.7 mt -76.99 -45.42 27.44 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.173 -0.921 . . . . 75.25 110.324 179.235 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 5' ' ' TYR . . . . . 0.429 ' HB3' ' CG2' ' A' ' 85' ' ' ILE . 2.6 t80 -132.12 125.48 31.42 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.616 -0.72 . . . . 75.45 109.57 -176.529 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 6' ' ' LYS . . . . . 0.516 ' HB2' HG21 ' B' ' 3' ' ' ILE . 34.0 ttmt -136.8 142.45 42.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.924 0.392 . . . . 65.01 110.771 176.226 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 7' ' ' THR . . . . . 0.402 ' CB ' ' HZ1' ' B' ' 25' ' ' LYS . 8.5 t -144.85 140.65 28.52 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.587 -0.733 . . . . 72.52 109.372 177.112 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 8' ' ' ALA . . . . . 0.434 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . . . -107.26 135.23 49.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.882 0.373 . . . . 64.22 110.429 -178.658 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 9' ' ' ALA . . . . . 0.433 ' HA ' ' H ' ' B' ' 22' ' ' HIS . . . -123.19 148.08 46.17 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.98 -0.554 . . . . 31.45 109.757 178.544 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 9.3 t -124.49 129.76 51.23 Favored 'General case' 0 N--CA 1.44 -0.936 0 N-CA-C 107.894 -1.15 . . . . 64.31 107.894 -177.3 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 50.2 m -126.47 113.26 16.59 Favored 'General case' 0 C--N 1.311 -1.1 0 CA-C-N 115.815 -0.629 . . . . 74.14 110.134 -175.487 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 3.4 m -99.07 158.15 15.86 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.827 -0.624 . . . . 53.42 111.19 -175.093 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -85.51 76.58 2.17 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.883 -0.675 . . . . 71.12 111.616 175.42 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.48 -130.22 0.01 OUTLIER Glycine 0 C--N 1.337 0.584 0 C-N-CA 121.364 -0.446 . . . . 73.4 112.433 175.757 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 68.2 mtp85 -60.4 -54.3 47.21 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 117.333 0.567 . . . . 65.14 109.544 174.408 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 16' ' ' ASP . . . . . 0.531 ' HB3' ' HA ' ' B' ' 31' ' ' SER . 21.6 t0 -125.7 -42.94 1.89 Allowed 'General case' 0 C--O 1.237 0.426 0 CA-C-N 115.946 -0.57 . . . . 65.33 109.839 172.188 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -160.5 157.46 28.86 Favored Glycine 0 N--CA 1.446 -0.649 0 C-N-CA 120.013 -1.089 . . . . 74.22 112.855 171.595 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 18' ' ' ARG . . . . . 0.495 ' HA ' ' HA ' ' B' ' 29' ' ' LYS . 17.0 ttt85 -135.25 147.02 49.14 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 108.815 -0.809 . . . . 74.4 108.815 175.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -143.66 123.8 13.69 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.897 -0.409 . . . . 64.21 109.897 -177.553 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 20' ' ' THR . . . . . 0.451 HG23 ' O ' ' B' ' 26' ' ' LEU . 66.8 m -140.75 119.88 12.86 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.384 -0.371 . . . . 75.11 111.042 -178.283 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 21' ' ' SER . . . . . 0.521 ' HB2' ' HB3' ' B' ' 26' ' ' LEU . 11.0 t -71.08 107.03 3.94 Favored 'General case' 0 C--O 1.246 0.871 0 N-CA-C 105.417 -2.068 . . . . 74.21 105.417 171.794 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 22' ' ' HIS . . . . . 0.433 ' H ' ' HA ' ' B' ' 9' ' ' ALA . 20.6 t-80 -61.57 -26.17 67.78 Favored 'General case' 0 CA--C 1.517 -0.293 0 O-C-N 125.529 1.768 . . . . 73.12 112.11 -161.001 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 34.7 p-10 -80.77 21.43 0.67 Allowed 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.41 0.624 . . . . 63.54 110.141 176.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 24' ' ' GLN . . . . . 0.402 ' H ' ' C ' ' B' ' 22' ' ' HIS . 36.3 mm-40 72.04 25.21 3.06 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 114.712 -1.131 . . . . 71.43 111.911 170.23 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 25' ' ' LYS . . . . . 0.402 ' HZ1' ' CB ' ' B' ' 7' ' ' THR . 50.2 mtmt -90.27 -22.46 21.59 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.465 -0.334 . . . . 41.25 111.118 175.508 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 26' ' ' LEU . . . . . 0.521 ' HB3' ' HB2' ' B' ' 21' ' ' SER . 38.8 tp -148.95 143.67 26.32 Favored 'General case' 0 C--O 1.221 -0.43 0 C-N-CA 120.455 -0.498 . . . . 71.52 110.566 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -157.95 99.89 1.7 Allowed 'General case' 0 C--N 1.33 -0.27 0 O-C-N 123.59 0.556 . . . . 53.33 110.542 178.094 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 2.7 m -149.68 177.95 0.72 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.376 0 CA-C-O 121.374 0.606 . . . . 74.12 111.629 176.662 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.495 ' HA ' ' HA ' ' B' ' 18' ' ' ARG . 10.2 ttpt -133.25 146.65 51.62 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 114.932 -1.031 . . . . 64.31 109.204 176.249 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 30' ' ' LEU . . . . . 0.601 ' HB2' ' O ' ' B' ' 44' ' ' THR . 0.0 OUTLIER -129.59 163.66 25.53 Favored 'General case' 0 C--O 1.251 1.14 0 CA-C-O 121.023 0.439 . . . . 72.32 110.506 178.722 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 31' ' ' SER . . . . . 0.531 ' HA ' ' HB3' ' B' ' 16' ' ' ASP . 57.8 p -170.89 128.27 0.75 Allowed 'General case' 0 N--CA 1.448 -0.534 0 CA-C-N 115.547 -0.752 . . . . 62.35 111.365 -174.237 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 32' ' ' ALA . . . . . 0.404 ' HA ' ' HD2' ' B' ' 33' ' ' PRO . . . -74.12 117.52 62.18 Favored Pre-proline 0 C--O 1.238 0.466 0 CA-C-N 116.221 -0.445 . . . . 75.13 110.007 173.562 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 33' ' ' PRO . . . . . 0.404 ' HD2' ' HA ' ' B' ' 32' ' ' ALA . 22.4 Cg_endo -60.74 149.18 89.09 Favored 'Trans proline' 0 C--N 1.348 0.518 0 C-N-CA 122.537 2.158 . . . . 71.3 111.688 179.367 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 16.2 mtm180 -75.06 67.83 1.79 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.129 0.49 . . . . 71.43 111.454 -178.773 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 68.7 mm-40 -100.05 -46.7 5.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.841 -0.618 . . . . 72.42 110.277 177.042 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 65.3 mt -115.52 5.35 14.41 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 115.917 -0.583 . . . . 63.52 111.09 -176.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 114.52 59.26 0.37 Allowed Glycine 0 N--CA 1.454 -0.133 0 N-CA-C 111.18 -0.768 . . . . 51.22 111.18 -172.452 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -100.21 -136.17 9.23 Favored Glycine 0 C--N 1.335 0.522 0 C-N-CA 121.159 -0.543 . . . . 64.12 112.077 -177.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -110.36 -49.56 3.05 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.898 0.38 . . . . 71.25 111.269 -176.001 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 120.23 79.25 0.57 Allowed Glycine 0 C--N 1.332 0.353 0 C-N-CA 121.092 -0.575 . . . . 53.13 112.02 -178.171 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -177.67 172.76 1.71 Allowed 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 122.756 0.422 . . . . 45.11 110.067 178.651 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -116.41 26.1 10.14 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.387 -0.37 . . . . 74.14 111.318 -177.493 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 43' ' ' GLY . . . . . 0.44 ' O ' ' HD3' ' A' ' 25' ' ' LYS . . . -68.92 -138.89 0.08 OUTLIER Glycine 0 CA--C 1.523 0.567 0 C-N-CA 121.373 -0.441 . . . . 72.12 112.82 179.46 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 44' ' ' THR . . . . . 0.601 ' O ' ' HB2' ' B' ' 30' ' ' LEU . 25.5 m -109.06 139.89 43.33 Favored 'General case' 0 C--N 1.331 -0.229 0 O-C-N 122.412 -0.463 . . . . 35.03 109.89 178.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 45' ' ' ASN . . . . . 0.53 ' HB2' ' HB3' ' B' ' 48' ' ' GLN . 1.5 m-20 -76.74 144.78 73.65 Favored Pre-proline 0 C--N 1.324 -0.52 0 N-CA-C 109.833 -0.432 . . . . 71.14 109.833 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 46' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_exo -57.91 -61.31 0.29 Allowed 'Trans proline' 0 C--N 1.352 0.762 0 C-N-CA 123.03 2.487 . . . . 54.41 113.46 -174.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 47' ' ' GLU . . . . . 0.414 ' CD ' ' H ' ' B' ' 47' ' ' GLU . 0.0 OUTLIER -65.48 -30.74 71.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.31 0.576 . . . . 73.03 109.668 -177.394 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 48' ' ' GLN . . . . . 0.53 ' HB3' ' HB2' ' B' ' 45' ' ' ASN . 29.2 tt0 -63.33 -39.04 93.47 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.042 -0.981 . . . . 65.22 110.212 174.443 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 49' ' ' LEU . . . . . 0.459 HD23 HG21 ' B' ' 44' ' ' THR . 3.1 tm? -66.5 -48.93 68.25 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 115.935 -0.575 . . . . 73.15 109.501 179.471 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 42.0 t80 -57.72 -43.67 85.41 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 116.481 -0.327 . . . . 74.53 110.487 176.27 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.67 -53.13 61.19 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.358 -0.383 . . . . 63.22 111.108 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -57.95 -49.51 76.53 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-N 116.141 -0.481 . . . . 74.31 110.451 -179.518 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 53' ' ' GLY . . . . . 0.531 ' HA3' HD12 ' A' ' 49' ' ' LEU . . . -59.88 -56.07 26.86 Favored Glycine 0 N--CA 1.447 -0.593 0 CA-C-N 115.277 -0.874 . . . . 73.22 112.1 179.704 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 54' ' ' TYR . . . . . 0.408 ' CE2' HG21 ' B' ' 128' ' ' THR . 2.3 t80 -54.43 -48.11 72.05 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 122.73 0.412 . . . . 73.14 111.025 -179.48 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 55' ' ' SER . . . . . 0.526 ' OG ' ' HB2' ' B' ' 81' ' ' ALA . 48.9 m -58.18 -50.11 74.68 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 110.268 -0.271 . . . . 71.55 110.268 -179.872 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 56' ' ' ALA . . . . . 0.552 ' HB1' HD21 ' A' ' 30' ' ' LEU . . . -58.77 -39.73 81.88 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-O 121.223 0.535 . . . . 72.32 110.569 176.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 57' ' ' CYS . . . . . 0.808 ' SG ' ' HB3' ' A' ' 46' ' ' PRO . 65.7 m -62.94 -36.23 82.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.356 -0.838 . . . . 72.4 109.976 178.482 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 30.5 t80 -61.89 -34.07 75.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.83 -0.623 . . . . 52.32 110.243 -177.511 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -67.05 -44.27 80.6 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.187 -0.46 . . . . 64.41 110.64 177.354 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 60' ' ' SER . . . . . 0.439 ' HB3' ' HB2' ' A' ' 32' ' ' ALA . 27.2 m -66.51 -40.92 89.47 Favored 'General case' 0 C--O 1.237 0.419 0 CA-C-O 121.272 0.558 . . . . 73.23 110.278 177.552 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 61' ' ' ALA . . . . . 0.446 ' O ' HG23 ' B' ' 65' ' ' VAL . . . -58.61 -45.74 88.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.662 -0.699 . . . . 44.1 109.778 177.468 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 62' ' ' MET . . . . . 0.528 ' HA ' ' HB ' ' B' ' 65' ' ' VAL . 30.1 mtp -72.84 -25.88 61.28 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.123 -0.49 . . . . 71.0 110.866 177.166 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 11.9 tppt? -59.77 -40.4 88.06 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 108.416 -0.957 . . . . 72.03 108.416 174.834 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 69.2 t80 -75.7 -48.46 21.86 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 115.192 -0.913 . . . . 73.11 111.183 174.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 65' ' ' VAL . . . . . 0.528 ' HB ' ' HA ' ' B' ' 62' ' ' MET . 41.0 t -54.68 -47.06 73.57 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.466 0 CA-C-O 120.934 0.397 . . . . 75.05 111.209 -177.166 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -58.0 -32.45 67.92 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.289 -0.414 . . . . 74.13 110.184 179.056 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -70.99 -25.41 75.83 Favored Glycine 0 C--N 1.332 0.336 0 CA-C-N 115.589 -0.732 . . . . 75.04 112.337 -178.534 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 68' ' ' GLN . . . . . 0.403 ' HG3' HD22 ' B' ' 69' ' ' ASN . 3.2 pt20 -98.81 -15.16 19.36 Favored 'General case' 0 C--N 1.332 -0.174 0 N-CA-C 109.624 -0.51 . . . . 64.5 109.624 178.607 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 69' ' ' ASN . . . . . 0.403 HD22 ' HG3' ' B' ' 68' ' ' GLN . 0.9 OUTLIER -94.89 -1.05 53.4 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 115.631 -0.713 . . . . 65.21 110.783 178.168 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 70' ' ' LYS . . . . . 0.444 ' HD3' ' N ' ' B' ' 70' ' ' LYS . 21.3 mmtm 65.18 22.44 12.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.507 -0.77 . . . . 73.12 110.85 174.883 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -114.57 165.13 13.1 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.926 -0.579 . . . . 74.24 110.256 -178.782 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 17.5 p -124.92 130.41 52.31 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.968 0.413 . . . . 74.12 110.577 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -109.38 142.93 26.72 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.009 -0.541 . . . . 75.15 110.754 178.179 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 74' ' ' PRO . . . . . 0.519 ' O ' HG22 ' B' ' 77' ' ' THR . 26.4 Cg_endo -61.38 150.75 83.56 Favored 'Trans proline' 0 C--N 1.348 0.522 0 C-N-CA 123.287 2.658 . . . . 62.01 112.293 177.789 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -77.2 -21.47 53.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.143 0.497 . . . . 71.53 110.421 174.529 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -80.97 5.29 16.76 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 115.543 -0.753 . . . . 60.22 111.553 -176.111 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 77' ' ' THR . . . . . 0.519 HG22 ' O ' ' B' ' 74' ' ' PRO . 10.3 t -79.39 142.23 36.16 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 120.864 0.364 . . . . 73.25 110.44 179.425 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 33.4 m -140.53 149.77 42.86 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.119 -0.491 . . . . 71.23 110.783 -176.155 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 77.6 t -126.93 125.68 67.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 N-CA-C 109.225 -0.658 . . . . 54.24 109.225 176.649 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 80' ' ' THR . . . . . 0.55 ' HA ' ' HA ' ' A' ' 10' ' ' THR . 22.3 m -110.83 115.27 29.23 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.327 -0.397 . . . . 72.42 110.594 -178.598 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 81' ' ' ALA . . . . . 0.526 ' HB2' ' OG ' ' B' ' 55' ' ' SER . . . -93.24 107.72 19.48 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.09 -0.505 . . . . 73.43 110.293 179.029 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -100.43 109.35 21.5 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.6 -0.518 . . . . 71.23 109.6 178.014 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 45.1 t -104.05 138.77 27.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 71.44 110.957 -173.338 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 84' ' ' GLY . . . . . 0.433 ' HA2' ' HA ' ' A' ' 6' ' ' LYS . . . -129.09 147.3 17.65 Favored Glycine 0 N--CA 1.44 -1.034 0 N-CA-C 111.075 -0.81 . . . . 52.45 111.075 173.706 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -124.66 129.75 73.6 Favored 'Isoleucine or valine' 0 C--O 1.244 0.789 0 N-CA-C 108.852 -0.795 . . . . 73.1 108.852 179.396 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 86' ' ' GLY . . . . . 0.478 ' HA2' ' HG ' ' A' ' 4' ' ' LEU . . . -148.56 169.9 29.09 Favored Glycine 0 N--CA 1.45 -0.406 0 N-CA-C 110.674 -0.97 . . . . 52.3 110.674 -178.318 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 87' ' ' PRO . . . . . 0.599 ' HD3' ' HG ' ' A' ' 4' ' ' LEU . 84.9 Cg_endo -81.66 152.52 17.36 Favored 'Trans proline' 0 N--CA 1.457 -0.635 0 C-N-CA 122.305 2.003 . . . . 61.3 111.253 -177.927 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 88' ' ' ASN . . . . . . . . . . . . . 37.0 p30 -114.79 161.73 17.8 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.721 -0.474 . . . . 72.3 109.721 175.696 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -69.38 -10.1 56.45 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.415 -0.357 . . . . 65.22 111.158 -178.063 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -69.25 -22.5 63.84 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.054 0.454 . . . . 74.05 110.096 172.121 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.16 2.79 45.06 Favored Glycine 0 C--N 1.33 0.222 0 CA-C-N 115.964 -0.562 . . . . 72.2 112.591 177.338 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . -113.01 -160.24 14.23 Favored Glycine 0 N--CA 1.452 -0.237 0 N-CA-C 111.56 -0.616 . . . . 70.13 111.56 178.202 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 93' ' ' PHE . . . . . . . . . . . . . 35.7 m-85 -97.83 158.09 15.71 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-O 121.056 0.455 . . . . 73.12 110.208 177.858 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -141.65 133.38 27.15 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.614 -0.721 . . . . 62.21 109.46 -177.11 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -99.75 134.99 41.84 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.88 -0.6 . . . . 74.21 110.478 -179.167 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 96' ' ' ASP . . . . . 0.425 ' HB3' HD11 ' A' ' 3' ' ' ILE . 11.6 t70 -133.03 110.1 10.0 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 115.088 -0.96 . . . . 73.53 108.699 178.099 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 97' ' ' VAL . . . . . 0.812 HG13 HG22 ' B' ' 134' ' ' VAL . 0.9 OUTLIER -120.8 119.78 60.53 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-O 121.662 0.744 . . . . 65.34 111.358 -175.244 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -92.69 112.56 24.56 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 114.881 -1.054 . . . . 74.42 108.983 178.404 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 99' ' ' LEU . . . . . 0.4 ' HB3' HD23 ' B' ' 136' ' ' LEU . 15.8 tp -93.84 108.23 20.04 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.185 -0.672 . . . . 61.12 109.185 -176.646 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 100' ' ' ARG . . . . . 0.575 ' HA ' ' O ' ' B' ' 137' ' ' VAL . 0.1 OUTLIER -99.13 111.09 23.57 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.532 -0.544 . . . . 64.11 109.532 -171.183 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 101' ' ' VAL . . . . . 0.433 HG11 HG22 ' B' ' 115' ' ' VAL . 74.1 t -100.95 114.6 40.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 60.12 111.197 -171.56 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -109.24 101.42 10.44 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 120.893 0.377 . . . . 53.32 110.661 177.288 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 103' ' ' LEU . . . . . 0.862 HD23 HD22 ' B' ' 106' ' ' LEU . 41.0 tp -111.26 115.64 52.09 Favored Pre-proline 0 C--N 1.329 -0.299 0 N-CA-C 108.249 -1.019 . . . . 72.24 108.249 174.411 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 104' ' ' PRO . . . . . 0.562 ' HD2' HD12 ' B' ' 103' ' ' LEU . 40.9 Cg_endo -70.6 142.6 44.63 Favored 'Trans proline' 0 N--CA 1.461 -0.407 0 C-N-CA 122.311 2.007 . . . . 74.24 112.835 -172.469 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 105' ' ' GLY . . . . . . . . . . . . . . . 79.68 -0.21 82.46 Favored Glycine 0 CA--C 1.519 0.339 0 CA-C-N 115.114 -0.948 . . . . 72.34 112.559 -177.47 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 106' ' ' LEU . . . . . 0.862 HD22 HD23 ' B' ' 103' ' ' LEU . 29.3 tp -103.03 136.77 42.23 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.288 0.566 . . . . 60.53 111.377 -176.335 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -77.86 153.72 32.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 114.987 -1.006 . . . . 63.12 110.608 176.542 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -68.51 -43.56 76.56 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.788 0.327 . . . . 34.32 111.088 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -57.54 -42.7 83.47 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 121.156 0.503 . . . . 64.51 110.7 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -74.67 -38.94 62.29 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 115.714 -0.676 . . . . 72.03 110.341 177.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 111' ' ' ALA . . . . . 0.447 ' HA ' HD21 ' B' ' 106' ' ' LEU . . . -56.55 -37.31 70.36 Favored 'General case' 0 CA--C 1.519 -0.222 0 CA-C-N 115.641 -0.709 . . . . 64.14 110.745 -179.884 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 112' ' ' LYS . . . . . . . . . . . . . 56.2 mmtt -50.97 -46.94 61.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.956 -0.566 . . . . 74.45 111.003 177.554 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 113' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -82.16 -36.27 27.55 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 116.423 -0.353 . . . . 72.03 111.172 -175.05 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 52.3 mt -66.83 -46.15 76.02 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 120.828 0.347 . . . . 70.23 110.332 -178.829 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 115' ' ' VAL . . . . . 0.433 HG22 HG11 ' B' ' 101' ' ' VAL . 86.9 t -64.16 -38.66 83.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.963 -0.562 . . . . 63.55 110.122 176.926 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -59.38 -53.65 55.7 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 116.414 -0.357 . . . . 75.43 110.779 -179.158 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 117' ' ' ARG . . . . . . . . . . . . . 7.2 ptm180 -67.98 -41.92 81.59 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 116.093 -0.503 . . . . 70.2 110.771 -176.656 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -62.29 -39.06 91.73 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 121.425 0.631 . . . . 61.11 109.966 177.562 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 119' ' ' HIS . . . . . 0.601 ' HD1' ' HD2' ' B' ' 129' ' ' ARG . 20.9 t-80 -83.99 6.85 20.4 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 115.38 -0.827 . . . . 74.31 110.619 179.423 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 15.3 t-80 -108.87 -37.78 5.77 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 116.254 -0.43 . . . . 61.52 111.087 177.49 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 34.8 m -85.11 -33.75 8.24 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.282 0 N-CA-C 112.047 0.388 . . . . 63.42 112.047 -176.304 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 122' ' ' CYS . . . . . . . . . . . . . 63.8 m -77.13 142.82 68.95 Favored Pre-proline 0 C--O 1.239 0.508 0 CA-C-N 116.707 -0.224 . . . . 74.53 111.567 -176.532 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 123' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_exo -58.51 165.94 6.97 Favored 'Trans proline' 0 C--N 1.356 0.928 0 C-N-CA 122.891 2.394 . . . . 65.25 111.479 174.472 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 124' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 70.36 -56.59 0.59 Allowed 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 123.249 0.62 . . . . 65.35 110.313 -174.127 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 125' ' ' SER . . . . . 0.525 ' HA ' HG22 ' B' ' 128' ' ' THR . 49.5 m -46.98 -45.42 20.91 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 123.576 0.751 . . . . 64.23 112.827 -177.127 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 126' ' ' ASN . . . . . . . . . . . . . 37.7 m-80 -59.21 -52.05 67.35 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-O 121.339 0.59 . . . . 74.24 110.374 179.124 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 127' ' ' ALA . . . . . 0.69 ' O ' ' HB3' ' B' ' 131' ' ' ASN . . . -64.49 -23.39 67.26 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.114 -0.948 . . . . 65.3 111.915 -179.163 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 128' ' ' THR . . . . . 0.588 ' HA ' ' HB ' ' B' ' 132' ' ' VAL . 1.3 t -98.3 -4.82 34.27 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-O 121.375 0.607 . . . . 55.14 109.497 -167.23 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 129' ' ' ARG . . . . . 0.601 ' HD2' ' HD1' ' B' ' 119' ' ' HIS . 17.7 ptm180 -114.65 -55.07 2.52 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-N 115.715 -0.675 . . . . 75.21 110.126 -178.235 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 130' ' ' ASN . . . . . 0.425 ' N ' ' HG3' ' B' ' 129' ' ' ARG . 88.4 m-20 -79.36 -25.85 42.17 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.869 -0.605 . . . . 74.14 111.699 -177.786 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 131' ' ' ASN . . . . . 0.69 ' HB3' ' O ' ' B' ' 127' ' ' ALA . 2.2 t-20 -104.45 -41.79 5.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.249 -0.432 . . . . 75.43 110.632 -178.008 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 132' ' ' VAL . . . . . 0.588 ' HB ' ' HA ' ' B' ' 128' ' ' THR . 46.4 t -112.29 157.8 12.93 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.411 0 CA-C-N 115.838 -0.619 . . . . 52.13 110.486 -173.374 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 133' ' ' ALA . . . . . . . . . . . . . . . -87.83 81.61 7.53 Favored 'General case' 0 C--O 1.239 0.544 0 CA-C-O 121.753 0.787 . . . . 72.23 112.456 -176.378 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 134' ' ' VAL . . . . . 0.812 HG22 HG13 ' B' ' 97' ' ' VAL . 90.7 t -110.69 118.57 57.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 114.764 -1.107 . . . . 61.1 109.606 168.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 5.6 tmm_? -90.69 107.57 19.26 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.348 -0.612 . . . . 74.32 109.348 177.696 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 136' ' ' LEU . . . . . 0.433 HD11 ' CG ' ' B' ' 119' ' ' HIS . 38.6 mt -72.26 109.18 5.83 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.028 -0.533 . . . . 72.41 110.411 179.724 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 137' ' ' VAL . . . . . 0.575 ' O ' ' HA ' ' B' ' 100' ' ' ARG . 0.2 OUTLIER -116.02 114.63 46.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 115.319 -0.855 . . . . 72.22 109.879 -179.912 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 138' ' ' VAL . . . . . . . . . . . . . 4.2 m -89.31 138.52 19.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 115.582 -0.735 . . . . 70.52 109.518 -177.616 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 139' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.312 -1.059 0 CA-C-N 115.177 -0.919 . . . . 71.35 111.689 -174.165 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.444 ' HE3' HD13 ' A' ' 3' ' ' ILE . 15.5 ptt? . . . . . 0 N--CA 1.484 1.262 0 CA-C-O 120.495 0.188 . . . . 71.43 110.512 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.516 ' O ' ' HD2' ' B' ' 87' ' ' PRO . 38.5 t30 -73.29 79.46 1.33 Allowed 'General case' 0 CA--C 1.532 0.281 0 CA-C-O 121.254 0.55 . . . . 75.52 110.362 175.805 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.541 HG21 ' HB2' ' A' ' 6' ' ' LYS . 31.7 mm -74.61 137.9 22.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.629 -0.714 . . . . 51.02 111.523 176.152 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.646 ' HG ' ' HD3' ' B' ' 87' ' ' PRO . 83.4 mt -93.42 -44.9 8.04 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.716 -0.675 . . . . 74.21 109.94 173.911 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 33.2 t80 -136.65 131.06 33.13 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.003 -0.544 . . . . 54.43 109.819 -178.497 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.541 ' HB2' HG21 ' A' ' 3' ' ' ILE . 30.0 ttmt -138.66 138.73 38.06 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.878 0.37 . . . . 62.42 110.363 177.506 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.469 HG21 ' HB2' ' B' ' 48' ' ' GLN . 11.1 t -142.37 146.54 35.06 Favored 'General case' 0 C--O 1.237 0.444 0 N-CA-C 109.124 -0.695 . . . . 73.02 109.124 -179.592 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.493 ' HA ' ' HA ' ' B' ' 82' ' ' GLU . . . -117.01 154.36 31.06 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 121.012 0.434 . . . . 64.34 111.643 -174.82 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.513 ' HA ' ' HA ' ' A' ' 21' ' ' SER . . . -138.76 121.07 15.94 Favored 'General case' 0 C--O 1.226 -0.169 0 CA-C-N 116.048 -0.524 . . . . 65.14 110.693 177.097 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 7.7 t -98.97 115.83 29.81 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.241 0.543 . . . . 73.43 109.828 178.259 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.551 ' HA ' ' O ' ' A' ' 18' ' ' ARG . 17.7 p -107.37 116.97 32.87 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.042 -0.526 . . . . 71.32 111.135 179.171 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.579 ' HA ' HG22 ' B' ' 78' ' ' THR . 2.4 m -82.58 155.0 24.7 Favored 'General case' 0 C--O 1.238 0.485 0 CA-C-N 115.553 -0.749 . . . . 72.12 110.592 178.828 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -89.61 74.82 1.89 Allowed Glycine 0 CA--C 1.521 0.455 0 C-N-CA 121.147 -0.549 . . . . 62.44 112.974 179.549 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -73.47 -132.16 0.2 Allowed Glycine 0 CA--C 1.525 0.707 0 C-N-CA 121.102 -0.57 . . . . 62.02 112.171 173.099 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.42 ' HB3' ' HB1' ' A' ' 39' ' ' ALA . 9.8 mmt180 -60.9 -55.7 29.84 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 117.144 0.472 . . . . 73.04 110.508 176.676 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.581 ' HB3' ' HA ' ' A' ' 31' ' ' SER . 30.1 t0 -125.99 -42.42 1.89 Allowed 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.206 -0.452 . . . . 74.22 109.917 176.395 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -170.69 152.5 18.83 Favored Glycine 0 N--CA 1.446 -0.697 0 C-N-CA 120.456 -0.878 . . . . 73.12 111.786 171.682 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.551 ' O ' ' HA ' ' A' ' 11' ' ' SER . 3.3 tmt_? -135.2 101.32 4.81 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 108.49 -0.93 . . . . 73.24 108.49 178.195 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -102.38 123.79 46.79 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.907 0.384 . . . . 71.12 111.448 -170.064 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 45.6 m -128.56 111.99 13.83 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.178 -0.465 . . . . 63.53 110.002 176.626 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.513 ' HA ' ' HA ' ' A' ' 9' ' ' ALA . 43.4 t -67.23 107.77 2.48 Favored 'General case' 0 C--O 1.246 0.915 0 N-CA-C 107.858 -1.164 . . . . 62.3 107.858 175.689 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.483 ' H ' ' HA ' ' A' ' 9' ' ' ALA . 36.9 t-80 -48.76 -32.78 9.12 Favored 'General case' 0 C--N 1.348 0.538 0 O-C-N 126.205 2.19 . . . . 71.44 112.887 -167.846 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.439 ' HB2' ' HG2' ' A' ' 25' ' ' LYS . 2.1 m-20 -79.98 25.61 0.36 Allowed 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 120.993 0.425 . . . . 73.43 110.037 -175.91 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.46 ' H ' ' C ' ' A' ' 22' ' ' HIS . 26.6 mm-40 62.83 21.03 12.57 Favored 'General case' 0 CA--C 1.517 -0.298 0 CA-C-N 115.337 -0.847 . . . . 72.53 109.847 178.233 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.465 ' HB2' ' CB ' ' A' ' 21' ' ' SER . 32.2 mmtp -74.62 -42.23 58.98 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-N 115.227 -0.897 . . . . 73.44 109.057 178.055 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.452 ' N ' ' HB3' ' A' ' 21' ' ' SER . 39.8 tp -150.59 149.63 30.15 Favored 'General case' 0 C--O 1.221 -0.43 0 C-N-CA 120.009 -0.677 . . . . 74.42 111.872 -172.749 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -152.03 105.83 3.12 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-O 121.44 0.638 . . . . 74.13 109.317 172.353 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 3.1 m -151.09 178.02 0.58 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.524 0 CA-C-N 115.613 -0.721 . . . . 62.12 111.386 177.768 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.521 ' HA ' ' HA ' ' A' ' 18' ' ' ARG . 24.0 tttt -133.31 145.73 50.69 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.165 -0.925 . . . . 62.42 109.851 177.886 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.67 ' HB3' ' HB ' ' A' ' 44' ' ' THR . 0.0 OUTLIER -125.23 152.3 44.76 Favored 'General case' 0 C--O 1.247 0.931 0 CA-C-O 121.139 0.495 . . . . 64.12 109.979 174.316 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.581 ' HA ' ' HB3' ' A' ' 16' ' ' ASP . 73.1 m -168.04 101.58 0.46 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.051 -0.977 . . . . 75.34 109.607 -172.555 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.57 127.19 93.37 Favored Pre-proline 0 N--CA 1.447 -0.624 0 N-CA-C 109.622 -0.51 . . . . 52.21 109.622 178.192 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 5.5 Cg_endo -48.71 140.66 22.16 Favored 'Trans proline' 0 N--CA 1.461 -0.437 0 C-N-CA 122.363 2.042 . . . . 73.33 110.877 174.473 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.659 HH11 ' HA2' ' A' ' 37' ' ' GLY . 0.0 OUTLIER -43.39 -82.34 0.01 OUTLIER 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 123.461 0.705 . . . . 50.12 111.985 -175.516 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 46.39 -72.99 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.386 0 O-C-N 124.319 1.012 . . . . 75.14 113.569 179.559 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.556 ' N ' ' O ' ' A' ' 34' ' ' ARG . 7.1 mp -87.56 -47.85 8.39 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.859 0.838 . . . . 63.44 108.739 -177.335 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.659 ' HA2' HH11 ' A' ' 34' ' ' ARG . . . 166.84 39.12 0.02 OUTLIER Glycine 0 N--CA 1.44 -1.075 0 CA-C-N 114.183 -1.371 . . . . 72.22 110.606 -178.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -79.99 -134.84 1.29 Allowed Glycine 0 N--CA 1.444 -0.795 0 C-N-CA 120.313 -0.946 . . . . 73.44 112.424 -176.243 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.42 ' HB1' ' HB3' ' A' ' 15' ' ' ARG . . . -115.3 -8.74 12.28 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-O 120.833 0.349 . . . . 63.22 111.009 -175.653 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.461 ' HA2' ' H ' ' A' ' 34' ' ' ARG . . . 66.04 69.8 1.26 Allowed Glycine 0 C--N 1.331 0.294 0 CA-C-N 115.661 -0.699 . . . . 45.53 112.355 179.556 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -163.16 173.18 13.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.656 0.265 . . . . 44.21 110.357 -179.78 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -99.93 35.03 2.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.12 -0.491 . . . . 71.23 110.48 -179.005 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -82.06 -163.35 32.13 Favored Glycine 0 C--N 1.332 0.306 0 C-N-CA 121.19 -0.529 . . . . 55.55 112.079 -179.048 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.67 ' HB ' ' HB3' ' A' ' 30' ' ' LEU . 44.8 m -93.64 152.89 18.69 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.584 -0.525 . . . . 74.01 109.584 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -92.19 117.86 67.87 Favored Pre-proline 0 C--N 1.328 -0.368 0 N-CA-C 109.115 -0.698 . . . . 72.33 109.115 176.79 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.407 ' HB3' ' HB3' ' B' ' 57' ' ' CYS . 71.5 Cg_exo -43.31 -50.36 6.7 Favored 'Trans proline' 0 CA--C 1.536 0.606 0 C-N-CA 123.174 2.583 . . . . 63.04 113.154 178.64 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -59.09 -41.99 89.37 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-O 121.27 0.557 . . . . 62.13 110.55 -179.752 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -65.07 -37.82 88.8 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.657 -0.701 . . . . 72.35 110.026 178.706 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.515 HD12 ' HA3' ' B' ' 53' ' ' GLY . 2.7 tm? -62.74 -45.5 92.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.8 -0.636 . . . . 71.11 109.605 -179.793 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 63.8 t80 -64.45 -43.25 94.85 Favored 'General case' 0 C--O 1.224 -0.252 0 CA-C-N 115.994 -0.548 . . . . 64.45 110.67 177.281 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.613 ' HB2' HG11 ' A' ' 83' ' ' VAL . . . -57.17 -52.99 63.1 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.23 -0.441 . . . . 52.03 111.324 177.743 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.457 ' HB1' ' HB1' ' B' ' 19' ' ' ALA . . . -63.36 -42.91 98.9 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.084 -0.507 . . . . 51.43 110.405 -178.76 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.468 ' HA3' HD12 ' B' ' 49' ' ' LEU . . . -63.72 -44.41 96.37 Favored Glycine 0 C--O 1.224 -0.531 0 CA-C-N 115.609 -0.723 . . . . 45.35 112.402 178.891 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -65.06 -40.86 95.3 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 110.158 -0.312 . . . . 71.4 110.158 -179.641 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.424 ' OG ' ' HB2' ' A' ' 81' ' ' ALA . 49.7 m -62.71 -49.0 76.8 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.447 -0.342 . . . . 50.31 110.124 178.063 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.591 ' HB1' HD21 ' B' ' 30' ' ' LEU . . . -59.54 -47.56 85.05 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-O 121.095 0.474 . . . . 72.41 110.41 177.804 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 81.3 m -55.73 -36.27 67.06 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.456 -0.793 . . . . 74.4 110.628 175.758 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 10.9 t80 -60.59 -40.66 92.58 Favored 'General case' 0 CA--C 1.53 0.186 0 N-CA-C 109.744 -0.465 . . . . 64.12 109.744 -179.196 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.424 ' O ' ' HG3' ' A' ' 63' ' ' LYS . 4.0 mm? -68.29 -51.69 42.0 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.039 -0.528 . . . . 74.12 110.645 177.3 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 37.7 m -56.34 -42.07 77.1 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-O 120.856 0.36 . . . . 74.4 110.969 -179.29 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.19 -44.15 80.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 64.15 110.195 178.478 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' MET . . . . . 0.643 ' HG3' HD11 ' A' ' 73' ' ' LEU . 4.3 tpt -59.82 -32.07 70.31 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 115.592 -0.731 . . . . 61.32 110.093 177.642 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.424 ' HG3' ' O ' ' A' ' 59' ' ' LEU . 98.7 mttt -70.79 -48.99 51.29 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 116.26 -0.427 . . . . 62.32 110.49 177.344 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 71.0 t80 -55.37 -41.55 72.75 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 121.248 0.547 . . . . 70.35 109.947 177.318 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 49.2 t -62.83 -47.42 92.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.577 -0.738 . . . . 51.41 110.382 175.188 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -56.19 -34.56 66.36 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.979 -0.555 . . . . 55.45 110.753 -179.658 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -68.64 -31.56 73.59 Favored Glycine 0 N--CA 1.453 -0.182 0 CA-C-N 115.3 -0.864 . . . . 65.01 112.347 -176.257 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -96.69 -15.76 21.28 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.525 -0.546 . . . . 73.33 109.525 -178.55 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 13.7 m-80 -94.17 -1.11 54.69 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.525 -0.762 . . . . 73.35 110.726 176.719 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 20.9 mmtm 62.34 24.55 14.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.467 -0.788 . . . . 70.5 110.81 172.654 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -109.97 168.22 9.58 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.628 -0.714 . . . . 65.11 109.675 177.894 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 29.7 p -123.51 142.33 51.12 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.983 0.42 . . . . 71.13 110.841 -178.16 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.643 HD11 ' HG3' ' A' ' 62' ' ' MET . 96.2 mt -109.31 138.16 20.42 Favored Pre-proline 0 C--N 1.324 -0.513 0 CA-C-N 115.806 -0.634 . . . . 63.13 110.31 178.913 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.487 ' O ' HG22 ' A' ' 77' ' ' THR . 30.6 Cg_endo -64.88 139.07 60.57 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.611 2.207 . . . . 75.32 111.44 175.112 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -76.89 -10.15 59.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.206 0.527 . . . . 74.43 111.219 -179.134 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -89.89 5.23 47.23 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.596 -0.729 . . . . 72.44 111.442 -176.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.487 HG22 ' O ' ' A' ' 74' ' ' PRO . 9.7 t -78.64 146.51 34.05 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.2 -0.454 . . . . 73.42 111.265 -177.439 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 75.6 m -148.13 149.68 32.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.282 0.563 . . . . 65.01 110.554 -179.037 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 56.4 t -125.03 121.56 61.25 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-N 115.298 -0.865 . . . . 73.54 108.896 178.22 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 10.0 m -98.21 115.36 28.18 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.457 -0.338 . . . . 61.0 110.333 -179.042 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.526 ' HB1' ' HB1' ' A' ' 51' ' ' ALA . . . -96.03 104.63 16.59 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.87 -0.604 . . . . 75.0 110.622 179.43 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -98.28 110.09 22.74 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.337 -0.616 . . . . 74.0 109.337 176.117 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.613 HG11 ' HB2' ' A' ' 51' ' ' ALA . 16.7 m -114.2 135.59 53.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 121.391 0.615 . . . . 74.25 111.432 -178.126 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.411 ' HA2' ' HA ' ' B' ' 6' ' ' LYS . . . -136.36 162.66 25.12 Favored Glycine 0 N--CA 1.442 -0.944 0 CA-C-N 115.227 -0.897 . . . . 64.22 111.322 177.596 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -138.57 131.93 40.19 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 N-CA-C 109.257 -0.646 . . . . 71.32 109.257 -177.906 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -149.39 169.77 29.67 Favored Glycine 0 CA--C 1.517 0.181 0 O-C-N 124.143 0.902 . . . . 64.2 111.355 -179.63 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.707 ' HD3' ' HG ' ' B' ' 4' ' ' LEU . 4.7 Cg_exo -72.69 125.07 10.24 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.789 2.326 . . . . 75.13 111.719 -177.59 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ASN . . . . . 0.474 ' HB2' ' HB2' ' A' ' 94' ' ' ALA . 25.2 t-20 -73.57 158.6 34.53 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.336 -0.616 . . . . 63.43 109.336 176.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -61.12 -23.95 65.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.787 0.327 . . . . 74.31 111.063 -177.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -69.65 -21.83 63.5 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-O 121.426 0.631 . . . . 62.35 110.587 177.001 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.31 6.61 41.63 Favored Glycine 0 N--CA 1.452 -0.282 0 CA-C-N 115.521 -0.763 . . . . 52.42 111.786 -176.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -97.12 -150.04 26.24 Favored Glycine 0 N--CA 1.45 -0.401 0 N-CA-C 110.854 -0.898 . . . . 74.12 110.854 177.535 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 32.9 m-85 -112.22 150.71 30.51 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 117.0 0.4 . . . . 72.25 110.023 175.823 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.474 ' HB2' ' HB2' ' A' ' 88' ' ' ASN . . . -139.31 136.65 35.07 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.811 -0.631 . . . . 73.43 109.821 -179.07 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -99.73 127.3 45.87 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.963 -0.562 . . . . 75.45 111.006 -177.53 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -110.01 110.89 21.95 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.122 -0.944 . . . . 62.1 108.793 177.538 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.561 HG22 HG12 ' A' ' 83' ' ' VAL . 49.0 t -119.73 110.82 30.42 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.86 0 CA-C-N 116.017 -0.538 . . . . 41.42 110.813 -175.005 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -101.47 113.37 26.41 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.136 -0.691 . . . . 51.52 109.136 175.625 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 13.6 tp -105.46 108.3 19.75 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.556 -0.535 . . . . 73.33 109.556 -174.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.547 ' HA ' ' O ' ' A' ' 137' ' ' VAL . 41.7 ttt180 -99.15 112.5 24.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.46 . . . . 73.43 109.84 -176.148 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 48.6 t -100.67 99.54 8.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.582 -0.281 . . . . 72.23 110.407 -172.789 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -93.14 101.58 13.88 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-O 120.968 0.414 . . . . 73.1 110.344 179.608 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.949 HD23 HD22 ' A' ' 106' ' ' LEU . 30.5 tp -114.7 111.59 45.88 Favored Pre-proline 0 C--N 1.326 -0.447 0 N-CA-C 108.304 -0.999 . . . . 73.31 108.304 176.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' PRO . . . . . 0.537 ' HD2' HD12 ' A' ' 103' ' ' LEU . 60.4 Cg_endo -73.12 148.5 44.59 Favored 'Trans proline' 0 N--CA 1.462 -0.358 0 C-N-CA 122.718 2.278 . . . . 73.52 112.868 -171.789 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 72.33 15.27 77.02 Favored Glycine 0 CA--C 1.519 0.333 0 CA-C-N 115.545 -0.752 . . . . 54.45 112.503 -178.194 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.949 HD22 HD23 ' A' ' 103' ' ' LEU . 22.7 tp -115.77 143.68 45.05 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 122.579 0.352 . . . . 65.03 110.759 -175.869 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -75.9 163.41 27.23 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 116.132 -0.485 . . . . 72.42 110.808 178.864 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -68.62 -44.57 73.97 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.309 -0.859 . . . . 74.35 109.833 171.179 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -62.43 -48.92 77.56 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 115.316 -0.856 . . . . 64.13 110.369 -177.062 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.524 ' O ' ' HG ' ' A' ' 114' ' ' LEU . . . -68.64 -41.42 79.44 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.94 -0.573 . . . . 73.25 110.035 179.663 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 111' ' ' ALA . . . . . 0.534 ' HA ' HD21 ' A' ' 106' ' ' LEU . . . -54.46 -44.94 73.0 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.175 -0.466 . . . . 54.13 111.503 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 59.0 mmtt -51.62 -47.84 63.52 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.251 -0.431 . . . . 74.23 110.975 177.568 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' THR . . . . . 0.502 HG22 ' O ' ' A' ' 110' ' ' ALA . 1.2 t -76.65 -34.96 58.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.471 -0.331 . . . . 74.22 111.27 -174.127 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.524 ' HG ' ' O ' ' A' ' 110' ' ' ALA . 42.0 mt -64.56 -51.8 60.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.782 0.325 . . . . 61.01 110.351 -179.113 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 59.2 t -63.5 -34.62 68.58 Favored 'Isoleucine or valine' 0 C--O 1.24 0.602 0 CA-C-O 121.376 0.608 . . . . 72.22 109.626 178.894 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' ASP . . . . . 0.65 ' HA ' ' CD2' ' A' ' 119' ' ' HIS . 24.2 t70 -64.45 -58.72 5.65 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-N 115.636 -0.711 . . . . 63.5 110.694 -179.38 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 117' ' ' ARG . . . . . 0.438 ' O ' HG22 ' A' ' 121' ' ' VAL . 10.4 ptm180 -60.33 -32.76 71.55 Favored 'General case' 0 N--CA 1.455 -0.188 0 CA-C-N 116.186 -0.461 . . . . 65.24 109.957 -178.69 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -59.17 -56.3 23.99 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-N 115.577 -0.738 . . . . 63.41 110.966 177.13 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' HIS . . . . . 0.65 ' CD2' ' HA ' ' A' ' 116' ' ' ASP . 16.7 p80 -72.29 -13.58 61.54 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 120.83 0.348 . . . . 74.13 110.565 179.732 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 11.8 t60 -76.23 -51.54 11.87 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.755 -0.657 . . . . 75.14 110.342 -178.546 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.438 HG22 ' O ' ' A' ' 117' ' ' ARG . 25.8 m -100.21 -18.4 6.35 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.325 0 N-CA-C 112.236 0.458 . . . . 74.54 112.236 -174.568 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 47.3 t -121.82 82.71 42.47 Favored Pre-proline 0 N--CA 1.465 0.317 0 CA-C-O 121.023 0.44 . . . . 72.12 110.902 -178.475 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_endo -99.68 134.74 0.23 Allowed 'Trans proline' 0 N--CA 1.453 -0.872 0 C-N-CA 123.198 2.599 . . . . 74.45 112.525 175.807 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -65.98 -20.72 66.29 Favored 'General case' 0 N--CA 1.468 0.471 0 N-CA-C 108.463 -0.94 . . . . 65.44 108.463 170.914 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 125' ' ' SER . . . . . 0.62 ' O ' HG22 ' A' ' 128' ' ' THR . 29.8 t -176.59 145.67 0.56 Allowed 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 113.647 -1.615 . . . . 62.44 106.894 174.689 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 126' ' ' ASN . . . . . 0.7 ' HB3' HD21 ' B' ' 131' ' ' ASN . 49.0 t30 -59.69 -31.4 69.54 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.801 0.81 . . . . 73.42 109.021 176.849 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 127' ' ' ALA . . . . . 0.614 ' HB3' ' HB1' ' B' ' 127' ' ' ALA . . . -84.44 5.2 28.21 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 114.716 -1.129 . . . . 54.1 112.322 -176.897 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 128' ' ' THR . . . . . 0.62 HG22 ' O ' ' A' ' 125' ' ' SER . 2.2 t -94.89 -7.31 40.47 Favored 'General case' 0 N--CA 1.467 0.397 0 N-CA-C 109.299 -0.63 . . . . 73.21 109.299 -178.763 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 35.5 ptt180 -121.65 -52.78 2.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.029 -0.987 . . . . 72.04 110.54 -175.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 88.9 m-20 -78.83 -34.23 45.4 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.748 -0.66 . . . . 71.52 111.697 -177.102 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 131' ' ' ASN . . . . . 0.566 ' HB3' ' O ' ' A' ' 127' ' ' ALA . 23.1 t-20 -88.23 -42.78 12.06 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 120.882 0.372 . . . . 72.12 110.483 -178.494 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 59.5 t -88.5 127.85 41.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.101 -0.5 . . . . 70.22 110.019 179.327 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -73.57 85.6 1.57 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.617 0.723 . . . . 45.42 111.113 -177.612 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 134' ' ' VAL . . . . . 0.526 ' HA ' ' O ' ' A' ' 97' ' ' VAL . 42.3 t -102.14 118.44 48.98 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.634 0 CA-C-N 115.052 -0.976 . . . . 75.02 110.561 176.343 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 19.2 mtm180 -90.13 108.61 19.84 Favored 'General case' 0 C--O 1.234 0.264 0 N-CA-C 109.352 -0.61 . . . . 72.41 109.352 175.259 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 72.1 mt -82.18 108.84 15.96 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.362 0.601 . . . . 50.04 111.004 -179.504 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 137' ' ' VAL . . . . . 0.547 ' O ' ' HA ' ' A' ' 100' ' ' ARG . 0.2 OUTLIER -116.38 116.73 53.18 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-N 115.037 -0.983 . . . . 74.42 109.637 -179.378 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 4.0 m -89.96 138.99 18.25 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-O 121.251 0.548 . . . . 53.11 110.299 -177.556 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.315 -0.921 0 CA-C-N 115.558 -0.746 . . . . 73.13 110.763 -175.978 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 17.2 ptt? . . . . . 0 C--O 1.233 0.195 0 CA-C-O 120.74 0.305 . . . . 72.42 110.625 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 43.6 t30 -78.2 74.0 4.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.268 0.556 . . . . 61.35 110.806 179.276 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 3' ' ' ILE . . . . . 0.546 HG21 ' HB2' ' B' ' 6' ' ' LYS . 33.1 mm -67.08 127.54 28.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 115.703 -0.681 . . . . 72.42 111.236 174.747 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.707 ' HG ' ' HD3' ' A' ' 87' ' ' PRO . 87.5 mt -84.78 -45.33 12.47 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.565 -0.743 . . . . 75.25 109.98 175.392 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 5' ' ' TYR . . . . . . . . . . . . . 25.5 t80 -138.81 131.31 28.77 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.201 -0.454 . . . . 75.45 110.322 -178.16 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 6' ' ' LYS . . . . . 0.546 ' HB2' HG21 ' B' ' 3' ' ' ILE . 30.6 ttmt -139.51 141.14 37.33 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-O 121.27 0.557 . . . . 65.01 111.846 177.297 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 7.8 t -142.48 145.47 33.74 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-N 115.251 -0.886 . . . . 72.52 108.964 178.194 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -118.5 148.49 42.55 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-O 120.766 0.317 . . . . 64.22 111.079 -176.299 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 9' ' ' ALA . . . . . 0.601 ' HA ' ' H ' ' B' ' 22' ' ' HIS . . . -137.16 136.05 37.88 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.22 -0.445 . . . . 31.45 110.338 -179.37 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 10' ' ' THR . . . . . 0.507 HG23 ' HB ' ' B' ' 20' ' ' THR . 7.8 t -98.79 127.2 44.64 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.639 -0.504 . . . . 64.31 109.639 177.532 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 42.1 t -122.77 113.01 18.6 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.429 -0.351 . . . . 74.14 110.372 -177.704 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 17.3 m -100.94 161.46 13.58 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 110.171 -0.307 . . . . 53.42 110.171 -179.237 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -99.22 49.52 1.22 Allowed Glycine 0 N--CA 1.45 -0.373 0 N-CA-C 111.448 -0.661 . . . . 71.12 111.448 176.627 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -40.98 -99.09 0.01 OUTLIER Glycine 0 C--N 1.344 1.008 0 O-C-N 124.329 0.664 . . . . 73.4 114.49 -172.521 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 22.7 mmm180 -84.94 -55.06 4.26 Favored 'General case' 0 N--CA 1.465 0.283 0 O-C-N 122.266 -0.549 . . . . 65.14 109.797 177.449 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 16' ' ' ASP . . . . . 0.407 ' HB3' ' HA ' ' B' ' 31' ' ' SER . 9.8 t70 -122.8 -43.43 2.25 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 108.611 -0.885 . . . . 65.33 108.611 171.218 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 17' ' ' GLY . . . . . 0.514 ' O ' ' HG3' ' B' ' 29' ' ' LYS . . . -164.01 165.02 36.86 Favored Glycine 0 N--CA 1.446 -0.635 0 N-CA-C 111.24 -0.744 . . . . 74.22 111.24 166.819 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 18' ' ' ARG . . . . . 0.592 ' HA ' ' HA ' ' B' ' 29' ' ' LYS . 24.7 ttm180 -147.86 143.33 27.36 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 109.716 -0.476 . . . . 74.4 109.716 179.386 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 19' ' ' ALA . . . . . 0.457 ' HB1' ' HB1' ' A' ' 52' ' ' ALA . . . -134.02 123.71 25.01 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.666 -0.494 . . . . 64.21 109.666 -179.861 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 20' ' ' THR . . . . . 0.507 ' HB ' HG23 ' B' ' 10' ' ' THR . 33.4 m -133.67 115.31 14.47 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.28 -0.418 . . . . 75.11 110.515 -177.257 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 21' ' ' SER . . . . . 0.492 ' HB3' ' N ' ' B' ' 26' ' ' LEU . 32.2 t -72.62 107.15 4.96 Favored 'General case' 0 C--O 1.244 0.809 0 N-CA-C 106.976 -1.49 . . . . 74.21 106.976 174.743 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 22' ' ' HIS . . . . . 0.601 ' H ' ' HA ' ' B' ' 9' ' ' ALA . 0.0 OUTLIER -55.41 -20.43 12.2 Favored 'General case' 0 N--CA 1.469 0.492 0 O-C-N 125.345 1.653 . . . . 73.12 112.249 -165.933 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 23' ' ' ASP . . . . . 0.523 ' HB2' ' HE2' ' B' ' 25' ' ' LYS . 3.4 m-20 -80.32 18.63 0.86 Allowed 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.583 -0.525 . . . . 63.54 109.583 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 24' ' ' GLN . . . . . 0.424 ' H ' ' C ' ' B' ' 22' ' ' HIS . 27.1 mm-40 64.16 20.39 12.16 Favored 'General case' 0 C--N 1.342 0.26 0 CA-C-N 115.386 -0.824 . . . . 71.43 110.131 -179.426 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 25' ' ' LYS . . . . . 0.523 ' HE2' ' HB2' ' B' ' 23' ' ' ASP . 51.2 mtmt -84.65 -24.79 28.89 Favored 'General case' 0 N--CA 1.455 -0.202 0 CA-C-N 115.458 -0.792 . . . . 41.25 110.835 179.566 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 26' ' ' LEU . . . . . 0.492 ' N ' ' HB3' ' B' ' 21' ' ' SER . 53.2 tp -151.31 145.39 25.29 Favored 'General case' 0 C--O 1.222 -0.382 0 C-N-CA 120.604 -0.438 . . . . 71.52 110.986 178.732 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -158.09 95.3 1.37 Allowed 'General case' 0 C--O 1.235 0.319 0 O-C-N 123.645 0.591 . . . . 53.33 109.588 174.193 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 5.2 m -142.31 175.78 4.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 121.323 0.582 . . . . 74.12 111.383 178.739 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.592 ' HA ' ' HA ' ' B' ' 18' ' ' ARG . 3.0 ttpm? -127.82 141.03 51.68 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.17 -0.923 . . . . 64.31 109.884 -178.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 30' ' ' LEU . . . . . 0.655 ' HA ' ' H ' ' B' ' 44' ' ' THR . 0.0 OUTLIER -123.64 166.11 16.05 Favored 'General case' 0 C--O 1.252 1.222 0 CA-C-N 116.28 -0.418 . . . . 72.32 110.023 178.078 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 31' ' ' SER . . . . . 0.444 ' OG ' ' HB3' ' B' ' 41' ' ' ALA . 24.4 m -154.26 131.32 11.0 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.778 -0.646 . . . . 62.35 111.06 -174.339 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -66.32 134.1 94.59 Favored Pre-proline 0 C--O 1.236 0.355 0 N-CA-C 109.518 -0.549 . . . . 75.13 109.518 173.39 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 33' ' ' PRO . . . . . 0.519 ' HG2' HD12 ' B' ' 36' ' ' LEU . 11.9 Cg_endo -55.85 118.93 5.78 Favored 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 122.363 2.042 . . . . 71.3 111.811 -176.828 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 34' ' ' ARG . . . . . 0.488 ' HG2' ' CA ' ' B' ' 40' ' ' GLY . 0.1 OUTLIER -52.94 -24.54 9.54 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 115.962 -0.563 . . . . 71.43 110.263 -179.903 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -45.49 -39.79 7.69 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 115.046 -0.979 . . . . 72.42 111.755 178.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.602 HD13 HD12 ' B' ' 85' ' ' ILE . 24.0 mt -98.84 17.13 20.21 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.331 -0.849 . . . . 63.52 111.035 -170.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 78.87 43.98 10.67 Favored Glycine 0 N--CA 1.449 -0.436 0 CA-C-N 115.769 -0.651 . . . . 51.22 112.099 -179.616 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -91.41 -135.67 6.68 Favored Glycine 0 N--CA 1.446 -0.664 0 C-N-CA 120.719 -0.753 . . . . 64.12 111.382 179.191 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -105.47 -51.75 2.95 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.779 0.323 . . . . 71.25 110.662 -178.278 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 40' ' ' GLY . . . . . 0.488 ' CA ' ' HG2' ' B' ' 34' ' ' ARG . . . 97.47 102.59 2.16 Favored Glycine 0 C--N 1.331 0.29 0 C-N-CA 121.29 -0.481 . . . . 53.13 112.575 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 41' ' ' ALA . . . . . 0.444 ' HB3' ' OG ' ' B' ' 31' ' ' SER . . . -160.28 165.63 31.0 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 110.222 -0.288 . . . . 45.11 110.222 175.809 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -80.04 74.47 6.82 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-O 121.779 0.8 . . . . 74.14 110.761 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -134.57 -173.48 13.14 Favored Glycine 0 N--CA 1.45 -0.424 0 CA-C-N 114.894 -1.048 . . . . 72.12 111.892 176.772 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 44' ' ' THR . . . . . 0.655 ' H ' ' HA ' ' B' ' 30' ' ' LEU . 24.8 m -101.1 150.77 22.58 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 110.329 -0.249 . . . . 35.03 110.329 -179.219 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 45' ' ' ASN . . . . . 0.407 ' HB2' ' HB3' ' B' ' 48' ' ' GLN . 15.9 m120 -59.52 116.48 16.66 Favored Pre-proline 0 CA--C 1.53 0.206 0 O-C-N 123.278 0.361 . . . . 71.14 110.348 175.708 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 46' ' ' PRO . . . . . . . . . . . . . 8.6 Cg_endo -52.11 -39.43 70.69 Favored 'Trans proline' 0 C--O 1.241 0.668 0 C-N-CA 122.484 2.122 . . . . 54.41 111.528 174.019 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -55.88 -49.12 74.25 Favored 'General case' 0 C--O 1.238 0.459 0 N-CA-C 108.633 -0.877 . . . . 73.03 108.633 175.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 48' ' ' GLN . . . . . 0.485 ' NE2' ' HB2' ' A' ' 9' ' ' ALA . 18.4 tp60 -67.48 -31.18 71.15 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 114.308 -1.315 . . . . 65.22 110.867 -179.197 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 49' ' ' LEU . . . . . 0.468 HD12 ' HA3' ' A' ' 53' ' ' GLY . 2.7 tm? -62.84 -51.23 67.81 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.143 -0.688 . . . . 73.15 109.143 -179.204 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 50.7 t80 -61.88 -44.1 97.51 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.157 -0.474 . . . . 74.53 110.513 175.439 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -53.18 -52.03 60.13 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 116.216 -0.447 . . . . 63.22 111.569 178.519 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -66.29 -46.03 78.38 Favored 'General case' 0 C--O 1.238 0.479 0 CA-C-O 121.193 0.521 . . . . 74.31 110.823 -177.145 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 53' ' ' GLY . . . . . 0.515 ' HA3' HD12 ' A' ' 49' ' ' LEU . . . -61.45 -35.48 91.1 Favored Glycine 0 N--CA 1.449 -0.485 0 CA-C-N 115.678 -0.692 . . . . 73.22 111.803 178.118 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 54' ' ' TYR . . . . . 0.827 ' HA ' ' SG ' ' B' ' 57' ' ' CYS . 2.9 t80 -75.13 -43.34 53.16 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 122.213 0.205 . . . . 73.14 110.702 -179.004 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 55' ' ' SER . . . . . 0.613 ' HB3' ' HB2' ' B' ' 81' ' ' ALA . 58.0 p -62.93 -39.58 95.02 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.869 -0.419 . . . . 71.55 109.869 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 56' ' ' ALA . . . . . 0.531 ' HB1' HD21 ' A' ' 30' ' ' LEU . . . -70.18 -49.26 52.17 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 115.813 -0.631 . . . . 72.32 111.006 177.221 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 57' ' ' CYS . . . . . 0.827 ' SG ' ' HA ' ' B' ' 54' ' ' TYR . 18.9 p -60.28 -36.19 77.27 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 120.897 0.38 . . . . 72.4 110.237 -179.596 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 52.1 t80 -54.96 -32.84 61.85 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 115.924 -0.58 . . . . 52.32 110.217 -179.159 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -68.08 -44.42 76.29 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.301 -0.629 . . . . 64.41 109.301 177.579 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 60' ' ' SER . . . . . 0.475 ' HA ' ' HE2' ' B' ' 63' ' ' LYS . 3.8 m -62.0 -46.23 90.12 Favored 'General case' 0 C--O 1.242 0.672 0 CA-C-O 121.728 0.775 . . . . 73.23 110.139 177.36 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 61' ' ' ALA . . . . . 0.545 ' HB1' ' SG ' ' B' ' 122' ' ' CYS . . . -57.91 -48.26 80.4 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 115.12 -0.945 . . . . 44.1 110.145 178.659 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 62' ' ' MET . . . . . 0.534 ' HA ' ' HB ' ' B' ' 65' ' ' VAL . 18.8 mtp -69.08 -26.79 65.12 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.388 -0.369 . . . . 71.0 110.972 178.615 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 63' ' ' LYS . . . . . 0.475 ' HE2' ' HA ' ' B' ' 60' ' ' SER . 16.3 ttmm -60.36 -45.94 91.71 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 108.754 -0.832 . . . . 72.03 108.754 175.658 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 48.9 t80 -71.28 -46.37 61.01 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 115.303 -0.862 . . . . 73.11 110.895 176.158 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 65' ' ' VAL . . . . . 0.534 ' HB ' ' HA ' ' B' ' 62' ' ' MET . 41.1 t -57.51 -45.34 85.93 Favored 'Isoleucine or valine' 0 C--O 1.236 0.383 0 CA-C-N 115.836 -0.62 . . . . 75.05 111.42 -176.829 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 66' ' ' ALA . . . . . 0.42 ' HA ' ' HG3' ' B' ' 71' ' ' GLN . . . -56.05 -33.44 64.99 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.105 0.479 . . . . 74.13 110.508 179.815 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -70.59 -32.27 67.6 Favored Glycine 0 N--CA 1.452 -0.258 0 CA-C-N 115.429 -0.805 . . . . 75.04 112.453 -177.16 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 12.8 pt20 -95.47 -13.95 24.13 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.122 0.487 . . . . 64.5 109.704 -178.151 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 69' ' ' ASN . . . . . 0.482 ' ND2' HG13 ' B' ' 65' ' ' VAL . 17.6 m-80 -97.94 5.24 49.13 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.545 -0.752 . . . . 65.21 111.69 178.815 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 64.58 26.23 13.25 Favored 'General case' 0 N--CA 1.47 0.525 0 CA-C-N 115.862 -0.608 . . . . 73.12 111.521 172.769 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 71' ' ' GLN . . . . . 0.42 ' HG3' ' HA ' ' B' ' 66' ' ' ALA . 2.2 pt20 -122.08 166.7 14.11 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.003 -0.544 . . . . 74.24 110.441 -178.762 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 28.1 p -125.97 139.48 53.41 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.011 -0.54 . . . . 74.12 110.135 -179.635 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 94.4 mt -109.7 137.9 20.51 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.4 -0.363 . . . . 75.15 110.892 179.688 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 74' ' ' PRO . . . . . 0.714 ' HD2' HD11 ' B' ' 103' ' ' LEU . 22.8 Cg_exo -66.79 142.75 64.52 Favored 'Trans proline' 0 C--N 1.349 0.605 0 C-N-CA 122.767 2.311 . . . . 62.01 111.973 172.566 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -74.67 -24.33 58.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.429 0.633 . . . . 71.53 111.706 -178.766 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -80.8 23.98 0.51 Allowed 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.33 -0.85 . . . . 60.22 111.692 -171.477 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 77' ' ' THR . . . . . 0.515 ' HB ' HD12 ' B' ' 103' ' ' LEU . 9.7 t -89.58 173.12 8.49 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 112.669 0.618 . . . . 73.25 112.669 -174.673 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 78' ' ' THR . . . . . 0.579 HG22 ' HA ' ' A' ' 12' ' ' THR . 0.9 OUTLIER -153.48 149.34 27.61 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 114.939 -1.028 . . . . 71.23 109.855 179.891 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 78.3 t -135.83 124.49 38.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 N-CA-C 109.559 -0.534 . . . . 54.24 109.559 177.234 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 80' ' ' THR . . . . . 0.529 ' HB ' ' HB3' ' B' ' 100' ' ' ARG . 27.3 m -111.03 113.85 26.7 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 120.801 0.334 . . . . 72.42 111.239 -176.928 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 81' ' ' ALA . . . . . 0.613 ' HB2' ' HB3' ' B' ' 55' ' ' SER . . . -93.23 108.61 20.2 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.821 0.343 . . . . 73.43 110.176 177.06 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 82' ' ' GLU . . . . . 0.493 ' HA ' ' HA ' ' A' ' 8' ' ' ALA . 44.4 tt0 -106.92 107.57 18.65 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.182 -0.673 . . . . 71.23 109.182 179.715 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 83' ' ' VAL . . . . . 0.507 HG12 HG13 ' B' ' 97' ' ' VAL . 21.4 m -110.96 145.28 17.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 120.993 0.425 . . . . 71.44 111.273 -174.73 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 84' ' ' GLY . . . . . . . . . . . . . . . -136.35 157.24 23.44 Favored Glycine 0 N--CA 1.443 -0.878 0 CA-C-N 115.695 -0.684 . . . . 52.45 111.593 178.628 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 85' ' ' ILE . . . . . 0.602 HD12 HD13 ' B' ' 36' ' ' LEU . 0.0 OUTLIER -134.84 130.82 52.91 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.877 0 N-CA-C 108.94 -0.763 . . . . 73.1 108.94 -179.452 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 86' ' ' GLY . . . . . 0.501 ' HA2' ' HG ' ' A' ' 4' ' ' LEU . . . -139.7 170.19 24.32 Favored Glycine 0 CA--C 1.516 0.105 0 O-C-N 123.993 0.808 . . . . 52.3 111.31 -177.41 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 87' ' ' PRO . . . . . 0.646 ' HD3' ' HG ' ' A' ' 4' ' ' LEU . 74.2 Cg_endo -72.07 141.43 36.36 Favored 'Trans proline' 0 N--CA 1.461 -0.414 0 C-N-CA 122.242 1.962 . . . . 61.3 111.863 -176.558 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 88' ' ' ASN . . . . . . . . . . . . . 47.6 t-20 -94.84 143.92 26.06 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 108.653 -0.869 . . . . 72.3 108.653 177.174 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -62.73 -18.26 62.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.976 0.417 . . . . 65.22 110.891 -177.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -67.41 -24.78 65.69 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 115.817 -0.628 . . . . 74.05 110.547 175.656 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.04 33.71 3.94 Favored Glycine 0 N--CA 1.45 -0.381 0 N-CA-C 111.233 -0.747 . . . . 72.2 111.233 -173.537 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . -140.37 -142.2 4.14 Favored Glycine 0 N--CA 1.451 -0.323 0 N-CA-C 111.288 -0.725 . . . . 70.13 111.288 -179.356 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 93' ' ' PHE . . . . . 0.576 ' CD2' HD11 ' B' ' 85' ' ' ILE . 19.2 m-85 -113.61 157.39 22.17 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.131 0.491 . . . . 73.12 111.211 179.151 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -142.77 136.72 29.15 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.106 -0.952 . . . . 62.21 108.947 177.642 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -102.87 143.46 32.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.176 0.513 . . . . 74.21 111.608 -175.011 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 96' ' ' ASP . . . . . 0.442 ' HB3' HD11 ' A' ' 3' ' ' ILE . 27.7 t70 -132.15 110.46 10.68 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 114.778 -1.101 . . . . 73.53 108.698 178.329 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 97' ' ' VAL . . . . . 0.762 ' HB ' HG22 ' B' ' 134' ' ' VAL . 61.0 t -110.27 110.77 33.4 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.026 0 CA-C-O 120.736 0.303 . . . . 65.34 111.022 -177.069 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 98' ' ' GLU . . . . . 0.548 ' HG2' ' HB2' ' B' ' 135' ' ' ARG . 40.8 mt-10 -98.33 105.5 17.65 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.481 -0.562 . . . . 74.42 109.481 174.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 14.6 tp -94.0 111.42 23.13 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.308 -0.627 . . . . 61.12 109.308 -177.839 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 100' ' ' ARG . . . . . 0.587 ' HA ' ' O ' ' B' ' 137' ' ' VAL . 59.1 ttt180 -99.16 131.1 45.44 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.699 -0.682 . . . . 64.11 110.016 -175.912 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 101' ' ' VAL . . . . . . . . . . . . . 93.1 t -117.06 129.35 73.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.475 -0.329 . . . . 60.12 110.856 -175.554 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -126.22 101.53 6.79 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-O 120.913 0.387 . . . . 53.32 110.186 174.856 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 103' ' ' LEU . . . . . 0.833 HD23 HD22 ' B' ' 106' ' ' LEU . 27.4 tp -115.76 118.58 38.66 Favored Pre-proline 0 C--N 1.329 -0.295 0 N-CA-C 109.056 -0.72 . . . . 72.24 109.056 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 104' ' ' PRO . . . . . 0.522 ' HD2' HD12 ' B' ' 103' ' ' LEU . 57.1 Cg_endo -68.81 146.51 66.32 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 122.554 2.17 . . . . 74.24 113.085 -174.218 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 105' ' ' GLY . . . . . . . . . . . . . . . 70.1 15.05 71.72 Favored Glycine 0 CA--C 1.518 0.237 0 CA-C-N 115.208 -0.906 . . . . 72.34 112.878 -178.643 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 106' ' ' LEU . . . . . 0.833 HD22 HD23 ' B' ' 103' ' ' LEU . 34.6 tp -119.17 140.81 49.56 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-O 120.824 0.345 . . . . 60.53 111.008 -176.85 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -76.71 164.86 25.47 Favored 'General case' 0 CA--C 1.512 -0.506 0 CA-C-N 116.056 -0.52 . . . . 63.12 110.9 178.309 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 108' ' ' ALA . . . . . 0.468 ' O ' ' HG3' ' B' ' 112' ' ' LYS . . . -68.64 -45.59 71.42 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.475 -0.784 . . . . 34.32 109.947 170.416 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -61.16 -47.0 88.22 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 115.645 -0.707 . . . . 64.51 110.727 -176.471 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 110' ' ' ALA . . . . . 0.491 ' O ' HG22 ' B' ' 113' ' ' THR . . . -71.34 -41.42 69.83 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-N 115.699 -0.682 . . . . 72.03 110.194 178.804 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 111' ' ' ALA . . . . . 0.531 ' HA ' HD21 ' B' ' 106' ' ' LEU . . . -54.51 -41.86 70.13 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-N 116.049 -0.523 . . . . 64.14 111.454 178.857 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 112' ' ' LYS . . . . . 0.468 ' HG3' ' O ' ' B' ' 108' ' ' ALA . 28.3 mtpp -52.93 -43.83 66.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.461 -0.336 . . . . 74.45 111.548 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 113' ' ' THR . . . . . 0.491 HG22 ' O ' ' B' ' 110' ' ' ALA . 1.5 t -78.72 -37.64 40.95 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 120.874 -0.33 . . . . 72.03 110.727 -177.613 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 114' ' ' LEU . . . . . 0.412 ' HG ' ' O ' ' B' ' 110' ' ' ALA . 38.5 mt -63.22 -45.9 89.49 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-O 120.956 0.408 . . . . 70.23 110.073 -179.784 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 115' ' ' VAL . . . . . 0.412 HG21 HG12 ' B' ' 138' ' ' VAL . 88.9 t -64.79 -39.12 84.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.749 -0.66 . . . . 63.55 110.029 176.825 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -55.94 -59.28 5.12 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-O 120.907 0.384 . . . . 75.43 110.945 179.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 117' ' ' ARG . . . . . . . . . . . . . 14.5 ptm180 -63.23 -44.73 94.43 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.749 -0.659 . . . . 70.2 111.034 -177.222 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -62.35 -36.48 82.35 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-O 121.391 0.615 . . . . 61.11 110.629 178.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 119' ' ' HIS . . . . . 0.484 ' HA ' ' HB3' ' B' ' 125' ' ' SER . 42.5 t-80 -84.04 2.35 39.57 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.457 -0.792 . . . . 74.31 110.208 -178.788 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 57.8 t-80 -108.48 -37.56 5.92 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 120.528 0.204 . . . . 61.52 111.045 178.495 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 30.8 m -79.88 -36.12 16.81 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.319 0 N-CA-C 112.261 0.467 . . . . 63.42 112.261 -175.261 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 122' ' ' CYS . . . . . 0.545 ' SG ' ' HB1' ' B' ' 61' ' ' ALA . 70.0 m -71.34 137.77 83.97 Favored Pre-proline 0 CA--C 1.535 0.387 0 CA-C-N 116.711 -0.222 . . . . 74.53 110.798 -177.256 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 123' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_exo -50.68 -61.24 0.59 Allowed 'Trans proline' 0 C--N 1.355 0.911 0 C-N-CA 123.326 2.684 . . . . 65.25 113.059 -176.262 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 124' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -55.23 -39.76 70.06 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-O 121.209 0.528 . . . . 65.35 110.401 179.706 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 125' ' ' SER . . . . . 0.514 ' O ' HG22 ' B' ' 128' ' ' THR . 28.3 m -69.48 -37.17 77.14 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.43 -0.804 . . . . 64.23 111.792 -174.254 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 126' ' ' ASN . . . . . . . . . . . . . 40.9 t30 -65.95 -48.25 71.92 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.554 0.692 . . . . 74.24 109.634 177.646 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 127' ' ' ALA . . . . . 0.614 ' HB1' ' HB3' ' A' ' 127' ' ' ALA . . . -74.65 0.8 13.9 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 114.783 -1.099 . . . . 65.3 112.304 -177.439 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 128' ' ' THR . . . . . 0.514 HG22 ' O ' ' B' ' 125' ' ' SER . 2.1 t -116.05 -8.04 11.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.827 0.346 . . . . 55.14 110.626 -176.557 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 129' ' ' ARG . . . . . . . . . . . . . 16.6 ptm180 -110.17 -48.47 3.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.465 0.65 . . . . 75.21 109.981 179.3 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 130' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -79.03 -34.38 43.94 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.452 -0.794 . . . . 74.14 110.935 179.182 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 131' ' ' ASN . . . . . 0.7 HD21 ' HB3' ' A' ' 126' ' ' ASN . 8.1 t-20 -96.6 -40.93 8.78 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.847 -0.615 . . . . 75.43 111.079 -176.596 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 132' ' ' VAL . . . . . 0.498 HG23 ' O ' ' B' ' 127' ' ' ALA . 22.6 t -115.47 167.86 7.74 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.489 0 CA-C-N 116.138 -0.483 . . . . 52.13 110.376 -174.121 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 133' ' ' ALA . . . . . 0.48 ' N ' HG12 ' B' ' 132' ' ' VAL . . . -95.57 97.31 9.66 Favored 'General case' 0 C--O 1.242 0.674 0 CA-C-O 121.514 0.674 . . . . 72.23 112.036 -176.727 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 134' ' ' VAL . . . . . 0.762 HG22 ' HB ' ' B' ' 97' ' ' VAL . 72.6 t -122.71 115.46 45.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.12 -0.946 . . . . 61.1 111.386 177.293 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 135' ' ' ARG . . . . . 0.548 ' HB2' ' HG2' ' B' ' 98' ' ' GLU . 17.2 mtp180 -82.29 122.29 27.75 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.371 -0.831 . . . . 74.32 109.296 173.456 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 51.0 mt -91.97 113.21 25.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.03 0.443 . . . . 72.41 110.935 -178.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 137' ' ' VAL . . . . . 0.587 ' O ' ' HA ' ' B' ' 100' ' ' ARG . 0.2 OUTLIER -117.94 114.22 44.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.472 -0.785 . . . . 72.22 110.401 -179.345 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 138' ' ' VAL . . . . . 0.412 HG12 HG21 ' B' ' 115' ' ' VAL . 4.0 m -98.78 138.57 22.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.812 -0.631 . . . . 70.52 110.188 -179.26 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 139' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.188 0 CA-C-N 115.425 -0.807 . . . . 71.35 111.272 -174.869 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.58 ' HE3' HD13 ' A' ' 3' ' ' ILE . 15.7 ptt? . . . . . 0 N--CA 1.485 1.278 0 CA-C-O 120.538 0.209 . . . . 71.43 110.634 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 57.0 t30 -73.19 79.95 1.29 Allowed 'General case' 0 CA--C 1.53 0.212 0 CA-C-O 121.461 0.648 . . . . 75.52 110.659 176.819 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.584 HG21 ' HB2' ' A' ' 6' ' ' LYS . 33.8 mm -73.08 136.93 24.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 115.294 -0.866 . . . . 51.02 111.673 176.779 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.701 ' HG ' ' HD3' ' B' ' 87' ' ' PRO . 87.6 mt -85.19 -46.95 10.59 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.93 -0.577 . . . . 74.21 110.244 176.154 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 44.2 t80 -132.07 128.41 38.15 Favored 'General case' 0 C--O 1.222 -0.384 0 N-CA-C 110.084 -0.339 . . . . 54.43 110.084 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.584 ' HB2' HG21 ' A' ' 3' ' ' ILE . 29.4 ttmt -137.79 146.59 43.74 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.087 0.47 . . . . 62.42 111.342 179.678 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 4.9 t -144.11 158.89 43.45 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 115.264 -0.88 . . . . 73.02 109.313 178.34 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -123.25 149.14 45.12 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 121.071 0.462 . . . . 64.34 111.851 -175.517 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.621 ' HA ' ' H ' ' A' ' 22' ' ' HIS . . . -138.33 122.4 17.95 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.863 -0.608 . . . . 65.14 110.288 176.8 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 44.1 m -101.5 119.55 38.94 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.322 -0.399 . . . . 73.43 110.53 -178.794 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 34.4 p -121.08 115.45 23.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.773 0.32 . . . . 71.32 111.138 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 16.7 m -98.65 160.2 14.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 72.12 110.224 177.823 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -102.44 63.18 0.47 Allowed Glycine 0 N--CA 1.451 -0.338 0 N-CA-C 111.612 -0.595 . . . . 62.44 111.612 177.499 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -55.35 -90.51 0.01 OUTLIER Glycine 0 C--N 1.339 0.7 0 C-N-CA 121.425 -0.417 . . . . 62.02 113.14 -176.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.431 ' HA ' ' NE ' ' A' ' 15' ' ' ARG . 7.4 tpm_? -88.89 -55.08 3.84 Favored 'General case' 0 C--O 1.235 0.294 0 O-C-N 122.396 -0.473 . . . . 73.04 110.276 177.681 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.421 ' HB3' ' HA ' ' A' ' 31' ' ' SER . 18.1 t70 -126.2 -43.39 1.8 Allowed 'General case' 0 N--CA 1.465 0.297 0 C-N-CA 120.939 -0.304 . . . . 74.22 110.223 170.889 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -169.14 161.66 35.3 Favored Glycine 0 C--N 1.338 0.692 0 C-N-CA 120.716 -0.754 . . . . 73.12 111.67 162.787 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.564 ' HA ' ' HA ' ' A' ' 29' ' ' LYS . 3.8 tmm_? -149.59 122.96 9.02 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.607 -0.516 . . . . 73.24 109.607 -178.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.598 ' HB2' ' HB2' ' B' ' 56' ' ' ALA . . . -117.67 124.1 47.72 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.892 0.377 . . . . 71.12 110.908 -176.409 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 28.6 m -130.68 111.76 12.48 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.855 -0.611 . . . . 63.53 109.569 179.022 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.562 ' HB3' ' N ' ' A' ' 26' ' ' LEU . 46.0 t -67.84 110.71 3.94 Favored 'General case' 0 C--O 1.247 0.951 0 N-CA-C 108.004 -1.11 . . . . 62.3 108.004 177.325 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.621 ' H ' ' HA ' ' A' ' 9' ' ' ALA . 10.0 t-80 -48.49 -40.07 25.31 Favored 'General case' 0 N--CA 1.468 0.45 0 O-C-N 126.016 2.072 . . . . 71.44 113.492 -164.637 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -80.32 26.19 0.37 Allowed 'General case' 0 C--N 1.318 -0.77 0 CA-C-O 121.101 0.477 . . . . 73.43 110.467 -175.009 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.432 ' H ' ' C ' ' A' ' 22' ' ' HIS . 30.1 mm-40 66.59 28.21 9.34 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.266 -0.879 . . . . 72.53 109.921 176.638 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.492 ' HB2' ' OG ' ' A' ' 21' ' ' SER . 73.8 mmtt -86.28 -30.97 21.88 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.048 -0.978 . . . . 73.44 110.0 179.415 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.562 ' N ' ' HB3' ' A' ' 21' ' ' SER . 38.5 tp -153.79 150.69 28.73 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 120.308 -0.557 . . . . 74.42 111.554 -177.431 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -154.88 100.87 2.24 Favored 'General case' 0 C--O 1.234 0.266 0 O-C-N 123.46 0.475 . . . . 74.13 110.391 173.189 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 4.7 m -144.92 176.32 2.27 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.267 0 CA-C-O 121.397 0.617 . . . . 62.12 111.353 177.829 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.564 ' HA ' ' HA ' ' A' ' 18' ' ' ARG . 9.0 tttp -131.53 143.31 50.29 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.206 -0.907 . . . . 62.42 109.776 -179.594 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.776 ' HA ' ' H ' ' A' ' 44' ' ' THR . 0.0 OUTLIER -127.0 160.44 31.08 Favored 'General case' 0 C--O 1.259 1.567 0 CA-C-O 121.448 0.642 . . . . 64.12 110.942 177.554 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.421 ' HA ' ' HB3' ' A' ' 16' ' ' ASP . 60.0 m -157.73 127.01 5.86 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 114.631 -1.168 . . . . 75.34 110.819 -173.686 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.53 141.4 94.69 Favored Pre-proline 0 C--O 1.238 0.452 0 CA-C-N 116.004 -0.544 . . . . 52.21 111.102 178.56 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_endo -63.21 128.05 21.73 Favored 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 122.741 2.294 . . . . 73.33 112.056 -178.499 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.588 ' HB2' ' CA ' ' A' ' 40' ' ' GLY . 7.0 tpt180 -66.22 -16.48 64.04 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 115.958 -0.564 . . . . 50.12 110.365 -179.218 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -43.95 -51.03 7.95 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 115.336 -0.847 . . . . 75.14 111.928 -175.622 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 41.4 mt -98.01 -41.65 7.87 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.595 -0.73 . . . . 63.44 110.271 -175.003 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 166.28 45.47 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.361 0 CA-C-N 115.654 -0.703 . . . . 72.22 111.613 178.264 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -100.75 -134.09 8.39 Favored Glycine 0 C--N 1.331 0.3 0 C-N-CA 120.896 -0.669 . . . . 73.44 112.042 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -114.36 -27.68 7.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.454 0.169 . . . . 63.22 111.431 -177.559 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.588 ' CA ' ' HB2' ' A' ' 34' ' ' ARG . . . 60.52 34.17 84.61 Favored Glycine 0 C--N 1.333 0.368 0 C-N-CA 121.307 -0.473 . . . . 45.53 112.886 -175.589 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -96.36 158.75 15.29 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 110.409 -0.219 . . . . 44.21 110.409 -179.764 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.464 ' O ' ' HE3' ' A' ' 29' ' ' LYS . 10.3 pt-20 -66.17 79.32 0.09 Allowed 'General case' 0 CA--C 1.532 0.28 0 CA-C-O 121.822 0.82 . . . . 71.23 110.734 177.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -145.04 -173.83 16.69 Favored Glycine 0 N--CA 1.45 -0.428 0 CA-C-N 115.153 -0.93 . . . . 55.55 111.873 178.788 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.776 ' H ' ' HA ' ' A' ' 30' ' ' LEU . 25.6 m -104.65 159.23 15.94 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 110.37 -0.233 . . . . 74.01 110.37 -179.509 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.496 HD22 HG21 ' B' ' 7' ' ' THR . 94.7 m-20 -80.19 121.73 82.12 Favored Pre-proline 0 C--O 1.237 0.427 0 N-CA-C 109.735 -0.468 . . . . 72.33 109.735 173.587 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_exo -57.68 -46.12 28.95 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.703 2.269 . . . . 63.04 111.785 179.461 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -58.39 -36.16 73.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.435 -0.802 . . . . 62.13 110.26 179.156 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -65.99 -39.02 89.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.733 -0.667 . . . . 72.35 109.652 177.26 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.573 HD12 ' HA3' ' B' ' 53' ' ' GLY . 1.8 tm? -64.47 -42.76 95.73 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.47 -0.567 . . . . 71.11 109.47 -178.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 58.0 t80 -65.41 -45.42 84.03 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 116.416 -0.356 . . . . 64.45 110.836 176.68 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.14 -49.87 76.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.012 0.434 . . . . 52.03 110.865 179.198 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.621 ' HB1' ' HB1' ' B' ' 19' ' ' ALA . . . -64.59 -40.83 96.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.888 -0.596 . . . . 51.43 110.496 179.602 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.411 ' O ' ' SG ' ' A' ' 57' ' ' CYS . . . -65.16 -41.46 96.94 Favored Glycine 0 N--CA 1.45 -0.415 0 CA-C-N 115.798 -0.637 . . . . 45.35 112.399 178.404 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -66.26 -45.44 80.53 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 110.002 -0.37 . . . . 71.4 110.002 -179.224 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.468 ' HB3' ' HB2' ' A' ' 81' ' ' ALA . 17.6 p -63.45 -46.57 85.63 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.298 -0.41 . . . . 50.31 110.325 178.502 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.525 ' HB1' HD21 ' B' ' 30' ' ' LEU . . . -59.95 -45.71 91.76 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 116.27 -0.423 . . . . 72.41 110.632 177.645 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.411 ' SG ' ' O ' ' A' ' 53' ' ' GLY . 84.7 m -58.85 -36.39 74.49 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.926 -0.579 . . . . 74.4 110.349 177.204 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -57.18 -38.15 73.2 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 116.009 -0.541 . . . . 64.12 109.925 179.77 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.434 ' O ' ' HB2' ' A' ' 63' ' ' LYS . 4.2 mm? -69.01 -36.95 78.36 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 116.22 -0.445 . . . . 74.12 110.918 177.624 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 19.5 m -68.1 -45.82 72.66 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-O 120.842 0.353 . . . . 74.4 110.473 178.648 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.11 -51.15 60.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.078 -0.51 . . . . 64.15 110.524 -179.427 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 5.7 tpt -57.31 -32.5 66.74 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 115.903 -0.59 . . . . 61.32 110.052 178.352 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.593 ' HB2' ' HZ2' ' A' ' 63' ' ' LYS . 4.0 ttmp? -68.74 -48.94 62.51 Favored 'General case' 0 CA--C 1.529 0.15 0 CA-C-N 115.752 -0.658 . . . . 62.32 110.368 178.628 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 56.0 t80 -60.66 -41.22 94.58 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 116.226 -0.443 . . . . 70.35 110.055 179.217 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 53.9 t -56.32 -52.01 56.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 115.928 -0.578 . . . . 51.41 110.054 174.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -54.68 -35.57 63.71 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.962 -0.563 . . . . 55.45 110.243 177.311 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -68.51 -34.28 78.76 Favored Glycine 0 N--CA 1.449 -0.48 0 CA-C-N 115.197 -0.911 . . . . 65.01 112.194 -177.337 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 -93.15 -11.23 33.33 Favored 'General case' 0 C--N 1.332 -0.162 0 N-CA-C 108.965 -0.754 . . . . 73.33 108.965 -179.26 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -94.24 -0.64 54.97 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.045 -0.98 . . . . 73.35 110.733 176.402 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 3.1 mptp? 60.54 28.81 18.49 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 121.249 0.547 . . . . 70.5 111.391 177.755 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -123.07 162.42 22.46 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.517 -0.765 . . . . 65.11 110.308 179.036 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 17.6 p -126.06 138.1 53.68 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.92 -0.582 . . . . 71.13 109.722 177.199 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.437 HD12 ' H ' ' A' ' 73' ' ' LEU . 0.2 OUTLIER -109.19 147.3 35.68 Favored Pre-proline 0 C--N 1.326 -0.414 0 CA-C-N 116.533 -0.303 . . . . 63.13 110.488 -179.427 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_endo -56.07 126.62 23.0 Favored 'Trans proline' 0 C--N 1.35 0.646 0 C-N-CA 123.143 2.562 . . . . 75.32 112.74 -178.173 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -77.05 -1.74 30.49 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.322 0.582 . . . . 74.43 111.093 179.346 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -84.68 4.4 32.73 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.589 -0.732 . . . . 72.44 110.561 -179.682 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.517 ' HB ' HD12 ' A' ' 103' ' ' LEU . 10.2 t -79.63 167.41 20.73 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.599 -0.728 . . . . 73.42 112.203 -174.703 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -155.75 149.2 24.86 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 115.356 -0.838 . . . . 65.01 110.41 177.836 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 76.8 t -127.03 120.54 55.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 N-CA-C 109.184 -0.673 . . . . 73.54 109.184 174.026 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.418 ' HB ' ' HB3' ' A' ' 100' ' ' ARG . 20.7 m -98.14 113.95 26.01 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.901 -0.591 . . . . 61.0 110.15 -179.185 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.468 ' HB2' ' HB3' ' A' ' 55' ' ' SER . . . -101.62 106.45 17.51 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.107 -0.497 . . . . 75.0 110.012 179.403 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.556 ' HG2' ' HD3' ' B' ' 6' ' ' LYS . 42.5 tt0 -106.96 107.62 18.72 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.49 -0.559 . . . . 74.0 109.49 -179.056 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.41 ' HA ' ' HA ' ' A' ' 97' ' ' VAL . 7.7 p -105.56 139.08 27.82 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.336 0 CA-C-O 120.859 0.361 . . . . 74.25 110.985 -173.379 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.46 ' HA2' ' HA ' ' B' ' 6' ' ' LYS . . . -140.24 175.32 22.02 Favored Glycine 0 N--CA 1.446 -0.636 0 CA-C-N 116.267 -0.424 . . . . 64.22 112.677 -178.536 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -147.61 135.53 14.68 Favored 'Isoleucine or valine' 0 C--O 1.241 0.632 0 N-CA-C 109.208 -0.664 . . . . 71.32 109.208 -178.858 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -147.96 169.8 28.68 Favored Glycine 0 C--O 1.229 -0.217 0 N-CA-C 110.762 -0.935 . . . . 64.2 110.762 179.209 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.702 ' HD3' ' HG ' ' B' ' 4' ' ' LEU . 98.5 Cg_endo -79.49 140.84 15.37 Favored 'Trans proline' 0 N--CA 1.459 -0.524 0 C-N-CA 122.109 1.872 . . . . 75.13 112.287 -177.484 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ASN . . . . . 0.401 ' OD1' ' N ' ' A' ' 89' ' ' GLU . 45.9 t-20 -89.34 148.07 23.73 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 108.475 -0.935 . . . . 63.43 108.475 176.046 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.401 ' N ' ' OD1' ' A' ' 88' ' ' ASN . 13.4 pt-20 -61.41 -14.74 30.52 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.004 0.43 . . . . 74.31 111.077 -179.061 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -67.13 -22.56 65.78 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 115.856 -0.611 . . . . 62.35 110.651 175.051 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.15 21.88 9.16 Favored Glycine 0 N--CA 1.454 -0.142 0 CA-C-N 115.691 -0.686 . . . . 52.42 112.017 -179.118 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -129.82 -150.47 6.99 Favored Glycine 0 N--CA 1.451 -0.365 0 N-CA-C 111.185 -0.766 . . . . 74.12 111.185 178.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -107.59 158.76 16.97 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.189 0.519 . . . . 72.25 111.045 178.864 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -144.48 128.93 17.97 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.215 -0.902 . . . . 73.43 108.807 178.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -97.29 141.31 30.55 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-O 121.133 0.492 . . . . 75.45 111.439 -175.568 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -133.16 150.81 52.0 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 114.901 -1.045 . . . . 62.1 109.061 -176.854 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.535 ' CG1' HG22 ' A' ' 134' ' ' VAL . 4.9 p -159.18 131.81 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-O 121.361 0.6 . . . . 41.42 110.939 174.24 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -103.75 121.41 42.94 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.184 -0.916 . . . . 51.52 109.918 -176.104 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 82.0 mt -101.09 106.48 17.75 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 109.713 -0.477 . . . . 73.33 109.713 176.026 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.494 ' HA ' HG13 ' A' ' 137' ' ' VAL . 15.1 ttt180 -102.21 104.0 14.54 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.434 -0.803 . . . . 73.43 109.32 -177.025 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 55.1 t -99.46 97.25 5.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.592 0.234 . . . . 72.23 110.858 -169.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -93.04 101.36 13.69 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.372 -0.376 . . . . 73.1 110.248 179.602 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.939 HD23 HD22 ' A' ' 106' ' ' LEU . 28.0 tp -113.98 117.83 43.37 Favored Pre-proline 0 C--O 1.236 0.343 0 N-CA-C 108.657 -0.868 . . . . 73.31 108.657 178.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' PRO . . . . . 0.541 ' HD2' HD12 ' A' ' 103' ' ' LEU . 61.4 Cg_endo -74.23 151.06 43.13 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.691 2.261 . . . . 73.52 112.331 -175.661 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 69.94 15.41 71.64 Favored Glycine 0 CA--C 1.521 0.415 0 CA-C-N 115.784 -0.644 . . . . 54.45 112.608 -179.032 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.939 HD22 HD23 ' A' ' 103' ' ' LEU . 34.4 tp -119.94 142.66 48.53 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 122.694 0.397 . . . . 65.03 111.266 -176.42 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' ASP . . . . . 0.412 ' HB3' ' H ' ' A' ' 110' ' ' ALA . 1.9 t70 -77.86 164.97 24.69 Favored 'General case' 0 CA--C 1.513 -0.463 0 CA-C-N 116.095 -0.502 . . . . 72.42 110.821 178.219 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.477 ' O ' ' HG3' ' A' ' 112' ' ' LYS . . . -68.81 -45.62 70.76 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.359 -0.837 . . . . 74.35 109.669 170.148 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -60.89 -46.24 91.42 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 115.516 -0.766 . . . . 64.13 111.049 -177.277 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.62 ' O ' HG22 ' A' ' 113' ' ' THR . . . -71.46 -42.11 68.56 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.813 -0.63 . . . . 73.25 110.322 178.682 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 111' ' ' ALA . . . . . 0.516 ' HA ' HD21 ' A' ' 106' ' ' LEU . . . -54.66 -42.99 71.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.253 -0.43 . . . . 54.13 111.401 178.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.477 ' HG3' ' O ' ' A' ' 108' ' ' ALA . 55.3 mtpt -56.86 -36.54 70.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.484 -0.326 . . . . 74.23 111.862 -178.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 113' ' ' THR . . . . . 0.62 HG22 ' O ' ' A' ' 110' ' ' ALA . 1.9 t -81.26 -38.19 27.28 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 120.919 -0.312 . . . . 74.22 110.267 -179.026 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.479 ' HG ' ' O ' ' A' ' 110' ' ' ALA . 54.7 mt -63.91 -49.1 73.99 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 116.397 -0.365 . . . . 61.01 110.685 -177.915 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.51 HG21 HG12 ' A' ' 138' ' ' VAL . 85.3 t -64.58 -36.36 77.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 72.22 110.246 178.079 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -60.58 -52.86 63.36 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 116.118 -0.492 . . . . 63.5 110.872 -179.014 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' ARG . . . . . 0.433 ' HG2' ' O ' ' A' ' 113' ' ' THR . 15.4 ptm180 -69.69 -42.24 74.37 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-N 115.873 -0.603 . . . . 65.24 110.785 -177.153 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -59.99 -38.49 82.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.271 0.558 . . . . 63.41 110.199 176.694 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' HIS . . . . . 0.442 ' CE1' HG21 ' A' ' 128' ' ' THR . 43.8 t-80 -73.57 -24.79 60.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.645 -0.707 . . . . 74.13 110.268 177.007 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 34.7 t-80 -72.36 -37.05 68.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.054 -0.521 . . . . 75.14 110.142 178.1 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 28.0 m -92.16 1.85 8.66 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.414 0 CA-C-N 115.994 -0.548 . . . . 74.54 112.453 -178.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' CYS . . . . . 0.461 ' HA ' ' HD3' ' A' ' 123' ' ' PRO . 21.1 p -72.13 131.42 85.31 Favored Pre-proline 0 CA--C 1.535 0.4 0 C-N-CA 121.09 -0.244 . . . . 72.12 110.388 -179.408 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 123' ' ' PRO . . . . . 0.461 ' HD3' ' HA ' ' A' ' 122' ' ' CYS . 12.4 Cg_exo -71.45 7.77 1.4 Allowed 'Trans proline' 0 C--N 1.353 0.774 0 C-N-CA 123.166 2.577 . . . . 74.45 113.597 -176.514 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 26.9 m-85 -113.75 33.44 5.18 Favored 'General case' 0 N--CA 1.468 0.434 0 N-CA-C 109.207 -0.664 . . . . 65.44 109.207 178.659 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 125' ' ' SER . . . . . 0.624 ' O ' HG22 ' A' ' 128' ' ' THR . 8.0 p -57.15 -61.2 2.63 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 115.84 -0.618 . . . . 62.44 112.567 -174.477 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 126' ' ' ASN . . . . . 0.511 ' HB2' ' HB2' ' B' ' 131' ' ' ASN . 49.3 m-80 -58.5 -31.88 68.29 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-O 121.317 0.579 . . . . 73.42 109.915 178.782 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 127' ' ' ALA . . . . . 0.493 ' HB2' ' HB1' ' B' ' 127' ' ' ALA . . . -80.71 6.08 13.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.352 -0.84 . . . . 54.1 112.033 -177.057 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 128' ' ' THR . . . . . 0.624 HG22 ' O ' ' A' ' 125' ' ' SER . 0.8 OUTLIER -109.87 -18.84 13.31 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.322 0.582 . . . . 73.21 110.112 -177.346 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 23.4 ptt180 -135.66 -48.54 0.69 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.717 -0.674 . . . . 72.04 112.089 -176.235 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 86.1 m-20 -73.85 -38.63 64.43 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.203 -0.453 . . . . 71.52 111.884 -173.551 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 131' ' ' ASN . . . . . 0.52 HD21 ' HA ' ' B' ' 123' ' ' PRO . 0.2 OUTLIER -90.73 -40.55 11.78 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.713 -0.395 . . . . 72.12 110.722 -178.408 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 30.1 m -139.46 175.3 7.6 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.195 0 CA-C-O 120.758 0.313 . . . . 70.22 110.962 -176.737 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -107.73 97.13 6.89 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.304 0.573 . . . . 45.42 110.727 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 134' ' ' VAL . . . . . 0.535 HG22 ' CG1' ' A' ' 97' ' ' VAL . 28.5 t -94.83 120.17 43.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 115.557 -0.747 . . . . 75.02 110.512 175.003 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 34.1 mmt180 -95.47 127.18 41.29 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.515 -0.55 . . . . 72.41 109.515 177.761 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 45.6 mt -95.58 123.87 39.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.911 0.386 . . . . 50.04 111.403 -178.667 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 137' ' ' VAL . . . . . 0.494 HG13 ' HA ' ' A' ' 100' ' ' ARG . 0.2 OUTLIER -133.92 128.33 53.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.57 -0.741 . . . . 74.42 110.011 177.415 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 138' ' ' VAL . . . . . 0.51 HG12 HG21 ' A' ' 115' ' ' VAL . 3.9 m -101.94 139.23 23.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.047 -0.524 . . . . 53.11 109.921 -179.802 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.317 -0.836 0 CA-C-N 115.979 -0.555 . . . . 73.13 110.903 -175.82 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 28.6 ptm . . . . . 0 C--O 1.232 0.168 0 CA-C-O 121.218 0.532 . . . . 72.42 110.798 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 2' ' ' ASN . . . . . 0.504 ' O ' ' HD2' ' A' ' 87' ' ' PRO . 35.7 t30 -96.23 85.07 3.89 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.554 -0.748 . . . . 61.35 109.8 -179.658 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 3' ' ' ILE . . . . . 0.541 HG21 ' HB2' ' B' ' 6' ' ' LYS . 28.1 mm -70.83 122.93 23.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 116.073 -0.512 . . . . 72.42 111.393 179.353 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.702 ' HG ' ' HD3' ' A' ' 87' ' ' PRO . 92.8 mt -83.64 -41.4 17.83 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.556 -0.747 . . . . 75.25 110.291 178.058 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 5' ' ' TYR . . . . . . . . . . . . . 49.8 t80 -140.69 133.23 28.59 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 116.102 -0.499 . . . . 75.45 110.197 -179.407 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 6' ' ' LYS . . . . . 0.556 ' HD3' ' HG2' ' A' ' 82' ' ' GLU . 30.7 ttmt -141.98 137.23 31.05 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.133 0.492 . . . . 65.01 110.882 177.657 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 7' ' ' THR . . . . . 0.496 HG21 HD22 ' A' ' 45' ' ' ASN . 7.0 t -129.69 137.76 50.78 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.384 -0.826 . . . . 72.52 109.065 -179.842 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 8' ' ' ALA . . . . . 0.467 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . . . -105.54 151.2 24.6 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.172 0.51 . . . . 64.22 111.549 -173.211 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 9' ' ' ALA . . . . . 0.432 ' HA ' ' H ' ' B' ' 22' ' ' HIS . . . -137.85 144.49 41.46 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.654 -0.703 . . . . 31.45 109.943 175.727 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 62.4 m -120.28 117.27 27.38 Favored 'General case' 0 N--CA 1.439 -1.008 0 N-CA-C 108.565 -0.902 . . . . 64.31 108.565 -178.194 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 70.6 m -116.0 114.77 25.05 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-N 115.793 -0.64 . . . . 74.14 110.969 -173.466 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 12' ' ' THR . . . . . 0.453 HG22 ' N ' ' B' ' 13' ' ' GLY . 15.8 m -98.93 164.35 12.23 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 116.004 -0.544 . . . . 53.42 111.079 -176.513 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 13' ' ' GLY . . . . . 0.453 ' N ' HG22 ' B' ' 12' ' ' THR . . . -94.34 74.42 1.05 Allowed Glycine 0 CA--C 1.519 0.328 0 N-CA-C 111.384 -0.686 . . . . 71.12 111.384 171.772 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -66.61 -95.82 0.03 OUTLIER Glycine 0 C--N 1.335 0.482 0 C-N-CA 121.072 -0.585 . . . . 73.4 112.403 179.141 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 8.1 mpt_? -88.2 -55.08 3.89 Favored 'General case' 0 N--CA 1.466 0.339 0 N-CA-C 109.329 -0.619 . . . . 65.14 109.329 174.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 16' ' ' ASP . . . . . 0.563 ' HB3' ' HA ' ' B' ' 31' ' ' SER . 20.2 t70 -125.68 -42.84 1.9 Allowed 'General case' 0 CA--C 1.514 -0.405 0 CA-C-N 115.748 -0.66 . . . . 65.33 109.469 172.591 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 17' ' ' GLY . . . . . 0.406 ' O ' ' HG3' ' B' ' 29' ' ' LYS . . . -161.31 160.67 32.38 Favored Glycine 0 N--CA 1.445 -0.706 0 CA-C-N 115.294 -0.866 . . . . 74.22 111.631 171.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 18' ' ' ARG . . . . . 0.621 ' HA ' ' HA ' ' B' ' 29' ' ' LYS . 51.1 ttt180 -139.09 151.68 46.91 Favored 'General case' 0 C--N 1.316 -0.852 0 N-CA-C 108.685 -0.857 . . . . 74.4 108.685 177.144 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 19' ' ' ALA . . . . . 0.621 ' HB1' ' HB1' ' A' ' 52' ' ' ALA . . . -142.65 123.79 14.55 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.788 -0.449 . . . . 64.21 109.788 178.711 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 56.5 m -132.82 110.62 10.47 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.53 -0.304 . . . . 75.11 110.535 -179.683 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 21' ' ' SER . . . . . 0.508 ' HB3' ' N ' ' B' ' 26' ' ' LEU . 43.6 t -64.27 107.1 1.23 Allowed 'General case' 0 C--O 1.247 0.928 0 N-CA-C 107.193 -1.41 . . . . 74.21 107.193 177.374 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 22' ' ' HIS . . . . . 0.432 ' H ' ' HA ' ' B' ' 9' ' ' ALA . 86.4 t60 -62.1 -10.99 11.77 Favored 'General case' 0 C--N 1.345 0.406 0 O-C-N 125.869 1.98 . . . . 73.12 111.749 -167.887 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 23' ' ' ASP . . . . . 0.458 ' HB3' ' HE3' ' B' ' 25' ' ' LYS . 1.3 m-20 -80.21 9.21 5.95 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.204 -0.665 . . . . 63.54 109.204 175.822 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 33.3 mm-40 71.48 17.45 5.71 Favored 'General case' 0 CA--C 1.518 -0.25 0 CA-C-N 115.095 -0.957 . . . . 71.43 109.907 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 25' ' ' LYS . . . . . 0.458 ' HE3' ' HB3' ' B' ' 23' ' ' ASP . 86.6 mttt -85.28 -27.87 25.7 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 115.131 -0.94 . . . . 41.25 111.747 -179.484 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 26' ' ' LEU . . . . . 0.508 ' N ' ' HB3' ' B' ' 21' ' ' SER . 39.9 tp -149.67 147.51 28.18 Favored 'General case' 0 CA--C 1.504 -0.797 0 C-N-CA 119.289 -0.964 . . . . 71.52 112.194 -176.449 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -154.96 100.75 2.22 Favored 'General case' 0 N--CA 1.442 -0.829 0 CA-C-N 115.089 -0.959 . . . . 53.33 109.901 177.296 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 3.1 m -144.9 178.04 1.61 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.407 0 CA-C-N 115.874 -0.603 . . . . 74.12 111.397 179.114 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.621 ' HA ' ' HA ' ' B' ' 18' ' ' ARG . 1.0 OUTLIER -141.57 143.13 33.57 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.341 -0.845 . . . . 64.31 109.816 -179.812 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 30' ' ' LEU . . . . . 0.713 ' HA ' ' H ' ' B' ' 44' ' ' THR . 0.0 OUTLIER -123.56 154.13 39.66 Favored 'General case' 0 C--O 1.246 0.873 0 CA-C-O 121.239 0.542 . . . . 72.32 110.787 179.058 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 31' ' ' SER . . . . . 0.563 ' HA ' ' HB3' ' B' ' 16' ' ' ASP . 66.2 m -162.87 118.18 1.78 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 114.726 -1.125 . . . . 62.35 109.774 -175.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.32 131.53 90.21 Favored Pre-proline 0 C--O 1.236 0.367 0 CA-C-N 116.097 -0.501 . . . . 75.13 110.408 178.233 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 33' ' ' PRO . . . . . 0.585 ' HD2' ' OD1' ' B' ' 45' ' ' ASN . 11.6 Cg_endo -55.2 151.56 35.0 Favored 'Trans proline' 0 C--N 1.35 0.619 0 C-N-CA 122.552 2.168 . . . . 71.3 111.152 176.621 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 42.7 tpt85 -80.28 -1.16 39.66 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.358 -0.383 . . . . 71.43 110.774 -175.736 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 45.8 mm-40 -42.1 -54.82 3.45 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 115.419 -0.81 . . . . 72.42 112.957 -176.818 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 6.1 mp -95.93 -51.19 4.57 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.287 0.565 . . . . 63.52 109.677 -178.586 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 178.3 40.15 0.06 OUTLIER Glycine 0 N--CA 1.448 -0.559 0 CA-C-N 115.504 -0.771 . . . . 51.22 111.733 178.499 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -88.79 -130.6 3.74 Favored Glycine 0 C--N 1.333 0.386 0 C-N-CA 120.628 -0.796 . . . . 64.12 111.977 179.758 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -123.74 -14.47 7.23 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.474 0.178 . . . . 71.25 111.22 179.745 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 51.65 40.55 48.36 Favored Glycine 0 C--N 1.334 0.432 0 C-N-CA 121.351 -0.452 . . . . 53.13 112.679 -176.115 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -104.57 172.15 6.95 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.047 0.451 . . . . 45.11 111.105 -177.151 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 42' ' ' GLU . . . . . 0.499 ' O ' ' HE2' ' B' ' 29' ' ' LYS . 10.1 pt-20 -70.93 76.88 0.64 Allowed 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 115.435 -0.802 . . . . 74.14 111.165 179.409 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -155.43 -175.57 26.61 Favored Glycine 0 CA--C 1.521 0.413 0 C-N-CA 120.967 -0.635 . . . . 72.12 113.26 177.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 44' ' ' THR . . . . . 0.713 ' H ' ' HA ' ' B' ' 30' ' ' LEU . 22.2 m -105.58 162.89 13.1 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 123.16 0.584 . . . . 35.03 110.232 178.311 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 45' ' ' ASN . . . . . 0.585 ' OD1' ' HD2' ' B' ' 33' ' ' PRO . 17.4 t30 -85.81 138.55 35.31 Favored Pre-proline 0 CA--C 1.541 0.609 0 N-CA-C 109.886 -0.412 . . . . 71.14 109.886 -178.613 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 46' ' ' PRO . . . . . 0.487 ' HD2' ' OD1' ' B' ' 45' ' ' ASN . 18.5 Cg_endo -56.49 -57.0 1.61 Allowed 'Trans proline' 0 C--N 1.352 0.761 0 C-N-CA 123.422 2.748 . . . . 54.41 114.331 -172.605 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.08 -30.41 71.36 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 120.9 0.381 . . . . 73.03 110.353 -174.246 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -65.27 -41.89 93.77 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 109.234 -0.654 . . . . 65.22 109.234 175.087 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -59.91 -51.48 69.51 Favored 'General case' 0 C--O 1.239 0.502 0 CA-C-N 115.628 -0.714 . . . . 73.15 109.616 179.495 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 38.7 t80 -60.05 -44.73 94.49 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 116.427 -0.351 . . . . 74.53 110.611 177.302 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 51' ' ' ALA . . . . . 0.574 ' HB2' HG11 ' B' ' 83' ' ' VAL . . . -56.19 -50.11 72.14 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 116.42 -0.354 . . . . 63.22 111.22 179.525 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.26 -50.64 72.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.087 -0.506 . . . . 74.31 111.089 -179.766 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 53' ' ' GLY . . . . . 0.573 ' HA3' HD12 ' A' ' 49' ' ' LEU . . . -61.66 -45.1 96.99 Favored Glycine 0 C--N 1.332 0.346 0 C-N-CA 120.937 -0.649 . . . . 73.22 112.325 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -61.11 -53.22 59.75 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 122.825 0.45 . . . . 73.14 110.549 178.519 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 55' ' ' SER . . . . . 0.482 ' OG ' ' HB2' ' B' ' 81' ' ' ALA . 54.2 m -57.7 -48.42 79.61 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.684 0.278 . . . . 71.55 110.545 -178.291 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 56' ' ' ALA . . . . . 0.598 ' HB2' ' HB2' ' A' ' 19' ' ' ALA . . . -59.42 -41.22 89.03 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-O 120.982 0.42 . . . . 72.32 110.638 177.662 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 57' ' ' CYS . . . . . . . . . . . . . 39.2 t -62.88 -36.65 84.0 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.725 -0.67 . . . . 72.4 110.221 176.796 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 48.3 t80 -60.57 -40.2 90.82 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.059 -0.519 . . . . 52.32 110.313 -176.379 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -62.92 -46.5 87.52 Favored 'General case' 0 CA--C 1.53 0.189 0 CA-C-N 116.387 -0.369 . . . . 64.41 110.632 177.826 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 15.8 t -70.26 -41.81 72.99 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 116.554 -0.294 . . . . 73.23 110.935 -176.807 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -63.63 -46.93 83.45 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.34 -0.391 . . . . 44.1 110.126 178.478 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 62' ' ' MET . . . . . . . . . . . . . 5.4 tpt -57.83 -37.7 74.3 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 115.851 -0.613 . . . . 71.0 109.65 175.866 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 63' ' ' LYS . . . . . 0.452 ' HZ3' ' HB3' ' B' ' 63' ' ' LYS . 7.6 ttpm? -64.33 -45.45 87.82 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.349 -0.841 . . . . 72.03 110.491 178.142 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 79.2 t80 -66.89 -39.83 87.59 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 116.342 -0.39 . . . . 73.11 110.26 -179.701 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 46.5 t -55.39 -47.41 78.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 N-CA-C 109.621 -0.511 . . . . 75.05 109.621 174.808 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -56.86 -34.15 67.54 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.853 -0.612 . . . . 74.13 110.032 175.529 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -70.35 -35.39 69.25 Favored Glycine 0 N--CA 1.451 -0.364 0 CA-C-N 115.379 -0.828 . . . . 75.04 112.248 -177.003 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -90.57 -13.91 33.57 Favored 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 109.035 -0.728 . . . . 64.5 109.035 -178.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 69' ' ' ASN . . . . . 0.512 ' HB3' ' HG2' ' B' ' 71' ' ' GLN . 8.7 m-80 -93.12 0.07 57.13 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.076 -0.965 . . . . 65.21 110.382 174.597 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 60.35 26.84 16.38 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 115.99 -0.55 . . . . 73.12 111.424 175.627 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 71' ' ' GLN . . . . . 0.512 ' HG2' ' HB3' ' B' ' 69' ' ' ASN . 4.9 pt20 -119.62 164.94 15.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.62 -0.718 . . . . 74.24 110.103 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 21.5 p -127.7 131.61 49.73 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.018 0.437 . . . . 74.12 110.502 178.195 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -109.38 155.01 41.91 Favored Pre-proline 0 C--N 1.324 -0.528 0 CA-C-N 115.797 -0.638 . . . . 75.15 109.926 177.872 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 74' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_exo -57.91 133.09 53.65 Favored 'Trans proline' 0 C--N 1.35 0.61 0 C-N-CA 122.526 2.151 . . . . 62.01 112.341 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -72.51 -17.3 61.76 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.482 0.658 . . . . 71.53 111.154 177.771 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -87.63 25.27 1.51 Allowed 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.333 -0.849 . . . . 60.22 110.782 -171.317 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 77' ' ' THR . . . . . 0.545 ' CB ' HD22 ' B' ' 103' ' ' LEU . 4.0 t -94.73 156.66 16.29 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.841 -0.618 . . . . 73.25 110.389 178.217 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 60.4 m -148.25 150.31 33.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.979 0.419 . . . . 71.23 110.532 -179.499 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 70.2 t -127.63 127.44 68.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 N-CA-C 109.156 -0.683 . . . . 54.24 109.156 177.48 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 60.9 m -114.21 115.06 26.86 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.741 0.305 . . . . 72.42 110.744 -178.743 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 81' ' ' ALA . . . . . 0.482 ' HB2' ' OG ' ' B' ' 55' ' ' SER . . . -93.3 105.7 17.74 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.022 -0.535 . . . . 73.43 110.229 178.351 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 82' ' ' GLU . . . . . 0.51 ' HG2' ' HD3' ' A' ' 6' ' ' LYS . 29.4 tt0 -102.91 107.42 18.24 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 108.52 -0.918 . . . . 71.23 108.52 176.256 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 83' ' ' VAL . . . . . 0.574 HG11 ' HB2' ' B' ' 51' ' ' ALA . 30.4 m -110.82 144.14 19.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.932 -0.576 . . . . 71.44 111.373 -170.926 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 84' ' ' GLY . . . . . . . . . . . . . . . -144.03 156.59 26.77 Favored Glycine 0 N--CA 1.441 -1.002 0 CA-C-N 116.08 -0.509 . . . . 52.45 112.353 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 85' ' ' ILE . . . . . 0.523 HD11 ' CD2' ' B' ' 93' ' ' PHE . 0.0 OUTLIER -121.97 132.44 70.92 Favored 'Isoleucine or valine' 0 C--O 1.242 0.678 0 N-CA-C 108.831 -0.803 . . . . 73.1 108.831 176.596 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 86' ' ' GLY . . . . . 0.416 ' HA2' ' HG ' ' A' ' 4' ' ' LEU . . . -138.91 170.28 24.08 Favored Glycine 0 N--CA 1.453 -0.171 0 N-CA-C 111.028 -0.829 . . . . 52.3 111.028 -179.508 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 87' ' ' PRO . . . . . 0.701 ' HD3' ' HG ' ' A' ' 4' ' ' LEU . 37.1 Cg_endo -85.27 131.68 4.24 Favored 'Trans proline' 0 N--CA 1.452 -0.913 0 C-N-CA 122.465 2.11 . . . . 61.3 112.306 -176.794 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 88' ' ' ASN . . . . . . . . . . . . . 52.1 t-20 -79.13 141.84 36.93 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.381 -0.827 . . . . 72.3 109.319 178.622 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -61.99 -19.76 63.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.979 0.418 . . . . 65.22 110.985 -178.741 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -67.53 -20.98 65.49 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 116.014 -0.539 . . . . 74.05 110.613 176.294 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.27 35.43 3.37 Favored Glycine 0 N--CA 1.451 -0.301 0 CA-C-N 115.842 -0.617 . . . . 72.2 111.737 -177.283 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . -141.0 -145.2 4.55 Favored Glycine 0 N--CA 1.451 -0.325 0 N-CA-C 111.214 -0.755 . . . . 70.13 111.214 179.718 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 93' ' ' PHE . . . . . 0.523 ' CD2' HD11 ' B' ' 85' ' ' ILE . 42.6 m-85 -111.57 163.47 14.04 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.878 0.371 . . . . 73.12 110.497 178.78 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -148.28 126.91 12.48 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.434 -0.803 . . . . 62.21 109.201 178.341 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -98.17 129.47 44.94 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.106 0.479 . . . . 74.21 110.977 -176.864 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 96' ' ' ASP . . . . . 0.515 ' HB3' HD11 ' A' ' 3' ' ' ILE . 12.3 t70 -122.08 128.67 51.62 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.043 -0.98 . . . . 73.53 109.896 -178.139 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 97' ' ' VAL . . . . . 0.744 ' HB ' HG22 ' B' ' 134' ' ' VAL . 85.7 t -125.03 110.4 24.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 N-CA-C 110.175 -0.306 . . . . 65.34 110.175 177.427 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -94.1 101.99 14.03 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 108.703 -0.851 . . . . 74.42 108.703 177.092 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 17.7 tp -100.43 111.86 24.16 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 115.96 -0.564 . . . . 61.12 110.357 -171.607 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 100' ' ' ARG . . . . . 0.555 ' HA ' ' O ' ' B' ' 137' ' ' VAL . 71.7 mtt85 -98.92 123.03 42.92 Favored 'General case' 0 CA--C 1.52 -0.193 0 CA-C-N 116.139 -0.482 . . . . 64.11 111.288 -176.719 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 101' ' ' VAL . . . . . . . . . . . . . 83.1 t -106.19 108.36 24.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.506 -0.77 . . . . 60.12 110.588 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 102' ' ' ALA . . . . . 0.516 ' HA ' ' HB3' ' B' ' 139' ' ' ALA . . . -104.17 101.13 10.88 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.971 -0.381 . . . . 53.32 109.971 176.458 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 103' ' ' LEU . . . . . 0.583 ' HB3' HD23 ' B' ' 106' ' ' LEU . 0.3 OUTLIER -114.41 114.69 45.15 Favored Pre-proline 0 C--N 1.327 -0.375 0 N-CA-C 108.787 -0.82 . . . . 72.24 108.787 179.824 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 104' ' ' PRO . . . . . 0.436 ' HD2' ' HB ' ' B' ' 77' ' ' THR . 57.2 Cg_endo -70.41 148.92 61.89 Favored 'Trans proline' 0 C--O 1.234 0.285 0 C-N-CA 122.492 2.128 . . . . 74.24 112.438 -179.298 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 105' ' ' GLY . . . . . . . . . . . . . . . 70.71 14.86 73.06 Favored Glycine 0 CA--C 1.517 0.201 0 CA-C-N 115.515 -0.766 . . . . 72.34 112.759 -179.169 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 106' ' ' LEU . . . . . 0.583 HD23 ' HB3' ' B' ' 103' ' ' LEU . 25.1 tp -124.69 137.87 54.33 Favored 'General case' 0 C--O 1.238 0.458 0 CA-C-O 120.985 0.422 . . . . 60.53 110.908 -177.54 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -73.91 143.21 45.85 Favored 'General case' 0 CA--C 1.519 -0.233 0 CA-C-N 115.649 -0.705 . . . . 63.12 110.022 176.504 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 108' ' ' ALA . . . . . 0.536 ' O ' ' HG3' ' B' ' 112' ' ' LYS . . . -62.69 -37.34 86.07 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.966 0.412 . . . . 34.32 110.641 176.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -59.68 -49.7 76.72 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.853 -0.612 . . . . 64.51 110.658 178.525 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 110' ' ' ALA . . . . . 0.564 ' O ' HG22 ' B' ' 113' ' ' THR . . . -66.67 -42.72 86.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.785 -0.643 . . . . 72.03 110.036 178.144 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 111' ' ' ALA . . . . . 0.406 ' O ' HG23 ' B' ' 115' ' ' VAL . . . -55.34 -37.52 67.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.736 -0.666 . . . . 64.14 110.986 -179.719 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 112' ' ' LYS . . . . . 0.536 ' HG3' ' O ' ' B' ' 108' ' ' ALA . 63.6 mttp -52.08 -44.2 64.25 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 116.331 -0.395 . . . . 74.45 111.02 177.813 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 113' ' ' THR . . . . . 0.564 HG22 ' O ' ' B' ' 110' ' ' ALA . 1.9 t -82.06 -36.88 27.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.801 0.334 . . . . 72.03 110.718 -177.18 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 114' ' ' LEU . . . . . 0.487 ' HG ' ' O ' ' B' ' 110' ' ' ALA . 47.3 mt -61.91 -47.43 84.96 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.246 -0.434 . . . . 70.23 110.507 -178.285 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 115' ' ' VAL . . . . . 0.407 HG21 HG12 ' B' ' 138' ' ' VAL . 78.7 t -65.91 -34.23 68.88 Favored 'Isoleucine or valine' 0 C--O 1.237 0.434 0 CA-C-N 115.99 -0.55 . . . . 63.55 110.432 179.485 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -63.92 -57.79 8.71 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 115.911 -0.586 . . . . 75.43 110.452 -179.659 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 117' ' ' ARG . . . . . . . . . . . . . 13.6 ptm180 -64.93 -35.55 81.53 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 115.966 -0.561 . . . . 70.2 110.358 -177.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -59.34 -40.47 86.47 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.052 -0.522 . . . . 61.11 109.674 174.738 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 119' ' ' HIS . . . . . 0.75 ' HA ' ' HB3' ' B' ' 125' ' ' SER . 15.5 m80 -73.67 1.24 10.66 Favored 'General case' 0 N--CA 1.455 -0.201 0 CA-C-N 115.904 -0.589 . . . . 74.31 112.322 178.038 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -108.55 -33.52 7.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.849 0.357 . . . . 61.52 110.479 176.859 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 34.8 m -94.4 -39.34 10.26 Favored 'Isoleucine or valine' 0 C--O 1.234 0.286 0 N-CA-C 112.071 0.397 . . . . 63.42 112.071 -176.097 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 122' ' ' CYS . . . . . 0.405 ' HA ' ' HD3' ' B' ' 123' ' ' PRO . 68.8 m -76.92 140.75 67.17 Favored Pre-proline 0 C--O 1.238 0.448 0 CA-C-O 120.4 0.143 . . . . 74.53 111.039 -176.536 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 123' ' ' PRO . . . . . 0.52 ' HA ' HD21 ' A' ' 131' ' ' ASN . 48.2 Cg_exo -56.75 162.43 8.64 Favored 'Trans proline' 0 C--N 1.353 0.811 0 C-N-CA 122.809 2.339 . . . . 65.25 111.727 176.526 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 124' ' ' TYR . . . . . . . . . . . . . 79.4 m-85 73.7 -53.25 0.69 Allowed 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 123.449 0.7 . . . . 65.35 110.531 -177.473 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 125' ' ' SER . . . . . 0.75 ' HB3' ' HA ' ' B' ' 119' ' ' HIS . 50.4 m -55.87 -48.2 75.98 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.139 -0.937 . . . . 64.23 113.257 -172.849 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 126' ' ' ASN . . . . . . . . . . . . . 52.3 t30 -59.92 -38.92 83.72 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.458 0.647 . . . . 74.24 109.743 -179.266 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 127' ' ' ALA . . . . . 0.676 ' O ' ' HB3' ' B' ' 131' ' ' ASN . . . -87.83 6.61 34.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.178 -0.919 . . . . 65.3 111.516 -179.409 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 128' ' ' THR . . . . . 0.587 HG22 ' O ' ' B' ' 125' ' ' SER . 1.1 t -109.15 -16.63 14.05 Favored 'General case' 0 C--O 1.223 -0.292 0 N-CA-C 109.751 -0.463 . . . . 55.14 109.751 176.52 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 129' ' ' ARG . . . . . 0.551 ' HD2' ' HB3' ' B' ' 119' ' ' HIS . 12.3 ptm180 -105.48 -47.96 3.8 Favored 'General case' 0 N--CA 1.455 -0.198 0 N-CA-C 109.512 -0.551 . . . . 75.21 109.512 -175.878 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 130' ' ' ASN . . . . . . . . . . . . . 25.2 m120 -78.97 -21.36 47.23 Favored 'General case' 0 N--CA 1.455 -0.188 0 CA-C-N 116.111 -0.495 . . . . 74.14 111.078 178.162 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 131' ' ' ASN . . . . . 0.676 ' HB3' ' O ' ' B' ' 127' ' ' ALA . 6.6 t30 -100.97 -43.99 5.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 75.43 110.879 -177.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 132' ' ' VAL . . . . . 0.413 HG12 ' N ' ' B' ' 133' ' ' ALA . 13.4 t -112.09 161.75 10.54 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.279 0 CA-C-N 116.073 -0.512 . . . . 52.13 110.192 -174.186 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 133' ' ' ALA . . . . . 0.413 ' N ' HG12 ' B' ' 132' ' ' VAL . . . -91.68 81.33 5.28 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.92 0.866 . . . . 72.23 110.223 177.57 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 134' ' ' VAL . . . . . 0.744 HG22 ' HB ' ' B' ' 97' ' ' VAL . 97.2 t -103.61 112.17 36.07 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.723 0 CA-C-N 114.66 -1.155 . . . . 61.1 110.428 178.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 24.6 mmm180 -78.55 108.15 11.74 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.741 -0.663 . . . . 74.32 109.316 174.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 75.3 mt -78.19 122.2 25.35 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.859 -0.61 . . . . 72.41 110.454 179.361 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 137' ' ' VAL . . . . . 0.555 ' O ' ' HA ' ' B' ' 100' ' ' ARG . 0.3 OUTLIER -132.16 116.87 30.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.448 -0.796 . . . . 72.22 110.127 -179.546 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 138' ' ' VAL . . . . . 0.407 HG12 HG21 ' B' ' 115' ' ' VAL . 3.6 m -94.61 138.55 20.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.583 -0.735 . . . . 70.52 109.6 179.747 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 139' ' ' ALA . . . . . 0.516 ' HB3' ' HA ' ' B' ' 102' ' ' ALA . . . . . . . . 0 C--O 1.251 1.159 0 CA-C-O 118.47 -0.776 . . . . 71.35 110.771 -175.696 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.457 ' SD ' ' HB2' ' B' ' 96' ' ' ASP . 25.4 ptm . . . . . 0 N--CA 1.486 1.335 0 CA-C-O 120.994 0.426 . . . . 71.43 110.663 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.456 ' O ' ' HA3' ' B' ' 86' ' ' GLY . 41.2 t30 -89.36 84.43 6.45 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.65 -0.705 . . . . 75.52 109.584 -178.609 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.53 HG21 ' HB2' ' A' ' 6' ' ' LYS . 28.4 mm -75.33 133.64 30.96 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-N 115.944 -0.571 . . . . 51.02 112.131 -179.385 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.803 ' HG ' ' HD3' ' B' ' 87' ' ' PRO . 87.2 mt -91.75 -44.5 8.95 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 114.959 -1.019 . . . . 74.21 109.657 171.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 22.5 t80 -138.94 126.57 21.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.651 -0.704 . . . . 54.43 110.098 -176.092 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.53 ' HB2' HG21 ' A' ' 3' ' ' ILE . 30.5 ttmt -140.21 133.88 30.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.912 0.387 . . . . 62.42 110.408 176.522 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.527 HG23 ' OE1' ' B' ' 48' ' ' GLN . 11.1 t -131.02 167.18 19.49 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.657 -0.702 . . . . 73.02 109.545 177.178 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.459 ' HA ' ' HA ' ' B' ' 82' ' ' GLU . . . -135.78 149.67 49.21 Favored 'General case' 0 C--O 1.238 0.452 0 CA-C-O 121.288 0.566 . . . . 64.34 111.624 -174.336 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.428 ' CB ' ' HA ' ' A' ' 21' ' ' SER . . . -140.46 139.69 35.22 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.807 -0.633 . . . . 65.14 110.447 176.674 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 8.8 t -103.04 131.14 50.24 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.606 -0.516 . . . . 73.43 109.606 176.58 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 29.4 t -122.67 113.45 19.24 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.118 0.485 . . . . 71.32 110.718 -178.372 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.508 ' HB ' ' HB3' ' A' ' 18' ' ' ARG . 6.0 m -91.78 166.91 12.52 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.945 -0.571 . . . . 72.12 109.614 177.005 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -82.73 14.1 38.63 Favored Glycine 0 CA--C 1.523 0.584 0 C-N-CA 120.851 -0.69 . . . . 62.44 112.501 175.63 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.409 ' CA ' ' HB2' ' A' ' 18' ' ' ARG . . . 30.34 -129.63 0.14 Allowed Glycine 0 C--N 1.344 0.983 0 O-C-N 123.86 0.388 . . . . 62.02 112.889 -174.649 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 6.2 tmm_? -88.82 -36.2 16.18 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 107.488 -1.301 . . . . 73.04 107.488 163.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -126.07 -42.42 1.87 Allowed 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 115.951 -0.568 . . . . 74.22 110.858 170.332 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.432 ' O ' ' HG3' ' A' ' 29' ' ' LYS . . . -159.45 153.57 24.62 Favored Glycine 0 C--N 1.349 1.292 0 C-N-CA 120.763 -0.732 . . . . 73.12 111.565 169.051 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.516 ' HA ' ' HA ' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -150.0 128.55 12.28 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.599 -0.519 . . . . 73.24 109.599 -176.316 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -133.21 133.2 42.44 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 117.843 0.292 . . . . 71.12 111.302 -178.429 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.407 HG23 ' O ' ' A' ' 26' ' ' LEU . 56.2 m -142.8 118.84 10.68 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.382 -0.372 . . . . 63.53 110.676 -178.777 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.439 ' CB ' ' HB3' ' A' ' 26' ' ' LEU . 28.4 t -81.53 118.63 22.9 Favored 'General case' 0 C--O 1.249 1.045 0 N-CA-C 108.857 -0.794 . . . . 62.3 108.857 175.864 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.449 ' C ' ' H ' ' A' ' 24' ' ' GLN . 13.2 t60 -50.9 -27.66 8.01 Favored 'General case' 0 N--CA 1.469 0.503 0 O-C-N 126.029 2.08 . . . . 71.44 113.219 -165.4 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.411 ' HB2' ' HE3' ' A' ' 25' ' ' LYS . 4.0 m-20 -80.02 22.15 0.53 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.957 0.408 . . . . 73.43 109.942 -176.452 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.449 ' H ' ' C ' ' A' ' 22' ' ' HIS . 29.0 mm-40 60.57 20.66 10.5 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 115.436 -0.802 . . . . 72.53 109.704 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.411 ' HE3' ' HB2' ' A' ' 23' ' ' ASP . 9.2 ptpp? -93.4 -20.4 20.36 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 116.015 -0.539 . . . . 73.44 109.869 -176.538 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.439 ' HB3' ' CB ' ' A' ' 21' ' ' SER . 61.3 tp -141.34 140.7 33.81 Favored 'General case' 0 C--N 1.342 0.273 0 C-N-CA 120.275 -0.57 . . . . 74.42 110.286 174.658 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -161.77 96.46 1.03 Allowed 'General case' 0 C--N 1.331 -0.234 0 O-C-N 123.528 0.517 . . . . 74.13 109.959 176.296 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 2.9 m -146.24 178.28 1.22 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.417 0 CA-C-O 121.304 0.574 . . . . 62.12 111.817 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.516 ' HA ' ' HA ' ' A' ' 18' ' ' ARG . 45.6 tttt -142.46 141.17 32.13 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 114.848 -1.069 . . . . 62.42 109.554 179.652 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.574 ' N ' HD13 ' A' ' 30' ' ' LEU . 0.0 OUTLIER -132.98 175.03 9.73 Favored 'General case' 0 C--O 1.258 1.527 0 CA-C-O 121.277 0.56 . . . . 64.12 112.079 -178.206 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.444 ' HB2' ' HB3' ' A' ' 41' ' ' ALA . 51.1 m -155.48 154.01 31.16 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 114.675 -1.148 . . . . 75.34 111.276 -179.177 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -75.01 147.85 83.99 Favored Pre-proline 0 CA--C 1.54 0.58 0 CA-C-N 116.059 -0.519 . . . . 52.21 111.603 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -61.82 141.68 90.95 Favored 'Trans proline' 0 C--N 1.356 0.925 0 C-N-CA 122.955 2.437 . . . . 73.33 112.298 -178.868 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.547 ' HB2' ' HA3' ' A' ' 40' ' ' GLY . 9.0 tpt180 -71.06 -35.59 71.98 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.226 -0.443 . . . . 50.12 111.608 -176.411 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -57.59 -24.81 58.36 Favored 'General case' 0 N--CA 1.466 0.348 0 N-CA-C 112.942 0.719 . . . . 75.14 112.942 -170.397 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.453 HD22 ' N ' ' A' ' 36' ' ' LEU . 1.2 mm? -99.73 19.88 15.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.978 0.418 . . . . 63.44 110.321 -179.096 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 86.33 30.28 22.62 Favored Glycine 0 N--CA 1.452 -0.272 0 CA-C-N 115.989 -0.551 . . . . 72.22 111.914 -176.868 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -98.91 -133.12 7.94 Favored Glycine 0 N--CA 1.453 -0.216 0 C-N-CA 121.314 -0.47 . . . . 73.44 112.398 -178.339 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -119.67 -26.93 5.59 Favored 'General case' 0 N--CA 1.465 0.307 0 N-CA-C 112.214 0.45 . . . . 63.22 112.214 -175.845 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.547 ' HA3' ' HB2' ' A' ' 34' ' ' ARG . . . 50.15 40.46 36.68 Favored Glycine 0 N--CA 1.461 0.358 0 C-N-CA 121.613 -0.327 . . . . 45.53 113.421 -173.212 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.444 ' HB3' ' HB2' ' A' ' 31' ' ' SER . . . -72.47 167.96 19.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.654 0.264 . . . . 44.21 110.658 179.432 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -83.47 37.98 0.6 Allowed 'General case' 0 CA--C 1.534 0.34 0 CA-C-O 121.25 0.548 . . . . 71.23 111.35 -177.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -106.49 -136.46 8.33 Favored Glycine 0 N--CA 1.452 -0.269 0 N-CA-C 111.071 -0.812 . . . . 55.55 111.071 177.099 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.485 ' OG1' ' HB3' ' A' ' 30' ' ' LEU . 82.2 p -129.53 167.48 17.83 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.783 -0.451 . . . . 74.01 109.783 176.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 11.9 m120 -100.91 138.53 20.05 Favored Pre-proline 0 C--N 1.328 -0.343 0 N-CA-C 109.876 -0.416 . . . . 72.33 109.876 179.551 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -55.66 -47.71 24.01 Favored 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 122.855 2.37 . . . . 63.04 112.435 -178.356 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.2 mp0 -63.6 -38.63 91.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.887 -0.597 . . . . 62.13 110.249 -179.468 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -66.75 -37.78 85.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.568 -0.742 . . . . 72.35 109.648 178.15 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.561 HD12 ' HA3' ' B' ' 53' ' ' GLY . 2.2 tm? -64.56 -49.53 70.85 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 115.809 -0.632 . . . . 71.11 109.586 -179.828 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 35.6 t80 -60.48 -45.07 95.08 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 116.235 -0.439 . . . . 64.45 110.383 177.121 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.41 ' HB2' HG11 ' A' ' 83' ' ' VAL . . . -51.97 -53.02 46.31 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.233 -0.44 . . . . 52.03 111.229 177.008 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.59 ' HB1' ' HB1' ' B' ' 19' ' ' ALA . . . -65.74 -46.3 79.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.78 -0.645 . . . . 51.43 111.186 -178.095 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.466 ' HA3' HD12 ' B' ' 49' ' ' LEU . . . -64.42 -39.83 97.25 Favored Glycine 0 C--O 1.225 -0.409 0 CA-C-N 115.826 -0.624 . . . . 45.35 112.362 -178.591 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -69.21 -47.53 64.58 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 122.702 0.401 . . . . 71.4 110.534 -179.276 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 27.8 p -60.21 -48.88 79.84 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.806 0.336 . . . . 50.31 110.227 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.467 ' HB1' HD21 ' B' ' 30' ' ' LEU . . . -61.58 -41.47 97.45 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.023 -0.535 . . . . 72.41 110.677 176.576 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 52.9 t -62.95 -36.26 82.88 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 115.977 -0.556 . . . . 74.4 110.356 179.311 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.487 ' HE2' ' HA ' ' A' ' 123' ' ' PRO . 27.5 t80 -67.64 -30.64 70.25 Favored 'General case' 0 N--CA 1.454 -0.225 0 CA-C-N 116.113 -0.494 . . . . 64.12 109.681 -178.069 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.461 HD21 HG23 ' A' ' 79' ' ' VAL . 96.1 mt -65.62 -51.43 59.71 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.905 -0.588 . . . . 74.12 109.768 175.2 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 15.5 m -57.79 -40.92 81.04 Favored 'General case' 0 C--O 1.237 0.418 0 CA-C-O 121.306 0.574 . . . . 74.4 110.401 176.717 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.401 ' O ' HG23 ' A' ' 65' ' ' VAL . . . -61.48 -47.0 87.65 Favored 'General case' 0 C--O 1.223 -0.342 0 CA-C-N 115.699 -0.682 . . . . 64.15 110.054 177.623 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.94 -38.54 86.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.479 -0.328 . . . . 61.32 110.637 177.685 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 28.9 tptp -58.72 -50.95 72.02 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-N 115.964 -0.562 . . . . 62.32 110.312 178.285 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.419 ' CZ ' ' HE1' ' B' ' 93' ' ' PHE . 51.6 t80 -69.79 -46.39 65.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.898 -0.592 . . . . 70.35 111.115 -178.394 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.401 HG23 ' O ' ' A' ' 61' ' ' ALA . 42.0 t -55.22 -44.53 75.33 Favored 'Isoleucine or valine' 0 C--O 1.238 0.451 0 CA-C-N 116.288 -0.415 . . . . 51.41 110.757 179.453 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.404 ' HA ' ' HG3' ' A' ' 71' ' ' GLN . . . -57.34 -31.9 66.19 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.143 -0.481 . . . . 55.45 110.224 177.741 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -72.79 -29.52 65.17 Favored Glycine 0 N--CA 1.452 -0.268 0 CA-C-N 115.488 -0.778 . . . . 65.01 112.521 -178.152 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -96.86 -11.67 24.51 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.286 0.565 . . . . 73.33 109.555 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 16.7 m-80 -100.98 3.83 41.93 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.276 -0.874 . . . . 73.35 110.518 175.788 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 34.4 mmtt 60.8 23.99 13.93 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 115.196 -0.911 . . . . 70.5 111.041 172.284 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.404 ' HG3' ' HA ' ' A' ' 66' ' ' ALA . 4.8 pt20 -116.63 167.36 11.15 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.863 -0.608 . . . . 65.11 110.349 -178.602 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 15.7 p -131.51 124.72 30.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.831 0.348 . . . . 71.13 111.104 -179.401 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -109.55 140.45 22.14 Favored Pre-proline 0 C--N 1.324 -0.528 0 CA-C-N 115.636 -0.711 . . . . 63.13 110.144 177.891 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.426 ' HG2' ' O ' ' A' ' 104' ' ' PRO . 48.7 Cg_exo -57.47 126.76 22.95 Favored 'Trans proline' 0 C--N 1.348 0.537 0 C-N-CA 122.817 2.344 . . . . 75.32 112.441 -177.295 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -77.29 -1.78 31.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.225 0.536 . . . . 74.43 111.334 -179.331 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -85.76 14.61 5.66 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 121.607 0.717 . . . . 72.44 110.652 -178.72 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.495 ' HB ' HD23 ' A' ' 103' ' ' LEU . 6.8 t -88.62 168.28 12.67 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-N 115.692 -0.686 . . . . 73.42 112.111 -174.481 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 32.0 m -153.0 149.8 28.55 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 115.411 -0.813 . . . . 65.01 109.631 179.733 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.461 HG23 HD21 ' A' ' 59' ' ' LEU . 69.8 t -128.6 118.94 48.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 121.133 0.492 . . . . 73.54 109.945 176.04 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.502 ' HA ' ' HA ' ' B' ' 10' ' ' THR . 9.1 m -98.82 108.63 21.37 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 116.29 -0.414 . . . . 61.0 110.309 179.734 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -93.61 106.7 18.65 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.935 -0.575 . . . . 75.0 109.828 178.024 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.48 ' HG2' ' HD3' ' B' ' 6' ' ' LYS . 32.5 tt0 -109.84 108.71 19.12 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.401 -0.592 . . . . 74.0 109.401 -178.849 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.452 HG12 HG22 ' A' ' 97' ' ' VAL . 22.3 m -104.66 144.53 14.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 121.107 0.48 . . . . 74.25 111.229 -174.03 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -139.79 164.01 26.13 Favored Glycine 0 N--CA 1.441 -0.974 0 CA-C-N 115.51 -0.768 . . . . 64.22 111.762 179.531 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.43 HD11 ' CD2' ' A' ' 93' ' ' PHE . 0.0 OUTLIER -139.39 130.52 33.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 N-CA-C 109.272 -0.64 . . . . 71.32 109.272 -179.699 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 86' ' ' GLY . . . . . 0.445 ' HA2' ' HG ' ' B' ' 4' ' ' LEU . . . -144.19 169.89 26.15 Favored Glycine 0 CA--C 1.516 0.145 0 CA-C-N 115.398 -0.819 . . . . 64.2 111.119 179.058 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.686 ' HD3' ' HG ' ' B' ' 4' ' ' LEU . 88.3 Cg_endo -81.84 141.84 12.28 Favored 'Trans proline' 0 N--CA 1.458 -0.564 0 C-N-CA 122.249 1.966 . . . . 75.13 111.752 -179.075 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ASN . . . . . 0.496 ' HB3' ' HB2' ' A' ' 94' ' ' ALA . 31.0 p30 -101.16 165.66 11.18 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.324 -0.398 . . . . 63.43 110.224 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -68.41 -13.1 62.06 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 116.493 -0.322 . . . . 74.31 111.416 -176.714 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -73.72 -24.84 59.97 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-O 121.05 0.452 . . . . 62.35 110.258 175.89 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.14 17.26 16.45 Favored Glycine 0 C--N 1.33 0.208 0 CA-C-N 115.855 -0.611 . . . . 52.42 112.192 -179.567 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -121.34 -152.18 8.71 Favored Glycine 0 N--CA 1.45 -0.43 0 N-CA-C 111.225 -0.75 . . . . 74.12 111.225 177.516 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.43 ' CD2' HD11 ' A' ' 85' ' ' ILE . 39.5 m-85 -104.47 157.34 17.22 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.934 0.397 . . . . 72.25 110.64 179.268 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.496 ' HB2' ' HB3' ' A' ' 88' ' ' ASN . . . -143.21 135.07 26.74 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.789 -0.641 . . . . 73.43 109.38 177.789 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -100.72 137.5 39.03 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.108 0.48 . . . . 75.45 111.251 -175.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -121.37 115.32 22.7 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.095 -0.957 . . . . 62.1 109.255 178.507 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.452 HG22 HG12 ' A' ' 83' ' ' VAL . 49.6 t -115.29 110.71 32.89 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 CA-C-O 120.889 0.376 . . . . 41.42 110.665 -178.33 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.433 ' HG2' ' HE ' ' A' ' 135' ' ' ARG . 47.2 mt-10 -93.42 111.19 22.78 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.812 -0.44 . . . . 51.52 109.812 176.751 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 72.4 mt -97.76 106.4 18.7 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.279 -0.637 . . . . 73.33 109.279 175.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.534 ' HA ' ' O ' ' A' ' 137' ' ' VAL . 71.2 mtt180 -101.6 109.78 21.65 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.047 -0.524 . . . . 73.43 110.019 -177.277 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 39.1 t -99.44 100.06 9.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 116.196 -0.456 . . . . 72.23 110.314 -174.22 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -91.65 101.34 13.97 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.555 -0.535 . . . . 73.1 109.555 179.481 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.495 HD23 ' HB ' ' A' ' 77' ' ' THR . 7.1 mt -114.02 118.94 41.73 Favored Pre-proline 0 C--N 1.327 -0.411 0 CA-C-N 115.33 -0.85 . . . . 73.31 110.322 -176.529 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' PRO . . . . . 0.426 ' O ' ' HG2' ' A' ' 74' ' ' PRO . 84.4 Cg_endo -80.26 155.44 22.22 Favored 'Trans proline' 0 N--CA 1.458 -0.596 0 C-N-CA 122.73 2.287 . . . . 73.52 111.986 179.743 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 64.57 15.17 59.13 Favored Glycine 0 CA--C 1.523 0.55 0 CA-C-N 115.809 -0.632 . . . . 54.45 112.819 -179.464 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.467 HD21 ' HA ' ' A' ' 111' ' ' ALA . 28.1 tp -129.49 140.7 51.2 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 122.797 0.439 . . . . 65.03 110.286 -176.732 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -73.98 162.54 28.94 Favored 'General case' 0 CA--C 1.51 -0.579 0 CA-C-N 116.346 -0.388 . . . . 72.42 111.058 -179.752 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -65.43 -45.51 83.56 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.532 -0.758 . . . . 74.35 110.042 170.826 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -63.43 -48.88 75.95 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 115.664 -0.698 . . . . 64.13 110.842 -176.113 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.585 ' O ' HG22 ' A' ' 113' ' ' THR . . . -67.28 -43.76 81.01 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.638 -0.71 . . . . 73.25 109.781 179.646 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 111' ' ' ALA . . . . . 0.467 ' HA ' HD21 ' A' ' 106' ' ' LEU . . . -54.61 -42.73 71.49 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 115.998 -0.546 . . . . 54.13 111.382 178.901 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 12.3 mmmm -53.42 -48.99 68.23 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 116.345 -0.389 . . . . 74.23 110.953 177.359 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' THR . . . . . 0.585 HG22 ' O ' ' A' ' 110' ' ' ALA . 1.0 OUTLIER -72.38 -33.42 67.2 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.153 -0.476 . . . . 74.22 110.878 -176.018 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.547 ' HG ' ' O ' ' A' ' 110' ' ' ALA . 43.8 mt -67.93 -48.73 65.12 Favored 'General case' 0 N--CA 1.462 0.139 0 CA-C-N 116.437 -0.347 . . . . 61.01 110.612 -179.212 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.419 HG21 HG12 ' A' ' 138' ' ' VAL . 97.6 t -62.34 -37.05 77.7 Favored 'Isoleucine or valine' 0 C--O 1.242 0.684 0 CA-C-O 120.931 0.396 . . . . 72.22 110.116 177.739 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -59.05 -61.0 2.97 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 115.382 -0.826 . . . . 63.5 110.715 179.275 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 1.7 ptm180 -64.42 -35.33 80.55 Favored 'General case' 0 N--CA 1.456 -0.137 0 CA-C-N 116.02 -0.536 . . . . 65.24 110.549 -176.443 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -58.3 -48.91 78.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.043 -0.526 . . . . 63.41 110.497 177.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 63.7 m80 -76.16 -11.44 59.93 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 116.283 -0.417 . . . . 74.13 111.232 178.864 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 19.2 t-80 -87.32 -32.91 19.4 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.195 -0.457 . . . . 75.14 110.864 179.372 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.449 HG23 ' N ' ' A' ' 122' ' ' CYS . 28.0 m -89.99 -52.76 10.19 Favored 'Isoleucine or valine' 0 C--O 1.234 0.264 0 CA-C-N 116.607 -0.269 . . . . 74.54 111.342 -178.64 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 122' ' ' CYS . . . . . 0.449 ' N ' HG23 ' A' ' 121' ' ' VAL . 11.8 p -156.62 88.72 2.73 Favored Pre-proline 0 CA--C 1.533 0.325 0 O-C-N 122.306 -0.246 . . . . 72.12 111.63 -178.799 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 123' ' ' PRO . . . . . 0.487 ' HA ' ' HE2' ' A' ' 58' ' ' PHE . 73.2 Cg_endo -80.98 -53.81 0.04 OUTLIER 'Trans proline' 0 CA--C 1.537 0.631 0 C-N-CA 122.328 2.019 . . . . 74.45 112.022 173.845 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 124' ' ' TYR . . . . . 0.443 ' HD2' ' HA ' ' A' ' 124' ' ' TYR . 0.4 OUTLIER 177.04 -41.73 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.265 0 N-CA-C 106.662 -1.607 . . . . 65.44 106.662 178.396 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 125' ' ' SER . . . . . 0.597 ' O ' HG22 ' A' ' 128' ' ' THR . 57.4 p -159.44 144.91 15.85 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 114.042 -1.435 . . . . 62.44 107.977 168.437 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 66.5 t30 -60.55 -31.8 70.89 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.604 0.716 . . . . 73.42 109.836 -179.324 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 127' ' ' ALA . . . . . 0.642 ' O ' ' HB3' ' A' ' 131' ' ' ASN . . . -81.25 6.7 13.29 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.033 -0.985 . . . . 54.1 112.066 -178.872 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 128' ' ' THR . . . . . 0.597 HG22 ' O ' ' A' ' 125' ' ' SER . 1.7 t -96.06 -11.22 26.72 Favored 'General case' 0 N--CA 1.465 0.276 0 N-CA-C 108.841 -0.8 . . . . 73.21 108.841 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 129' ' ' ARG . . . . . 0.424 HH11 ' HD2' ' A' ' 129' ' ' ARG . 14.4 ptt180 -119.88 -40.96 2.69 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 115.283 -0.871 . . . . 72.04 110.873 -176.653 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 130' ' ' ASN . . . . . 0.419 ' N ' ' HG3' ' A' ' 129' ' ' ARG . 53.0 m-80 -78.2 -52.36 8.8 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 121.159 0.504 . . . . 71.52 110.652 177.646 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 131' ' ' ASN . . . . . 0.642 ' HB3' ' O ' ' A' ' 127' ' ' ALA . 60.1 t30 -68.42 -43.83 76.3 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 115.665 -0.698 . . . . 72.12 110.763 -177.777 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 29.5 t -97.12 133.21 39.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.803 -0.635 . . . . 70.22 110.108 -178.131 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -71.5 90.66 1.0 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.459 0.647 . . . . 45.42 110.85 -178.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 48.4 t -110.82 112.29 39.9 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.589 0 CA-C-N 115.181 -0.918 . . . . 75.02 110.678 178.546 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 135' ' ' ARG . . . . . 0.433 ' HE ' ' HG2' ' A' ' 98' ' ' GLU . 15.4 ttp180 -85.16 109.1 18.04 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.057 -0.974 . . . . 72.41 110.215 178.824 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 73.8 mt -81.11 120.92 25.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.721 -0.672 . . . . 50.04 110.689 178.323 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 137' ' ' VAL . . . . . 0.534 ' O ' ' HA ' ' A' ' 100' ' ' ARG . 0.1 OUTLIER -132.84 125.38 52.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.434 -0.803 . . . . 74.42 110.016 -178.036 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 138' ' ' VAL . . . . . 0.419 HG12 HG21 ' A' ' 115' ' ' VAL . 5.4 m -97.7 139.19 20.52 Favored 'Isoleucine or valine' 0 C--O 1.236 0.372 0 CA-C-O 121.455 0.645 . . . . 53.11 110.854 -178.275 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.314 -0.942 0 CA-C-N 115.169 -0.923 . . . . 73.13 110.788 -174.863 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.521 ' HE3' HD13 ' B' ' 3' ' ' ILE . 17.3 ptt? . . . . . 0 C--O 1.234 0.266 0 CA-C-O 120.778 0.323 . . . . 72.42 110.935 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 65.8 t30 -80.86 73.12 7.87 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-O 121.197 0.522 . . . . 61.35 110.623 -179.634 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 3' ' ' ILE . . . . . 0.521 HD13 ' HE3' ' B' ' 1' ' ' MET . 31.5 mm -61.14 126.27 18.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.517 -0.765 . . . . 72.42 111.672 176.342 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.686 ' HG ' ' HD3' ' A' ' 87' ' ' PRO . 92.6 mt -79.26 -48.77 13.58 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.63 -0.713 . . . . 75.25 110.377 176.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 5' ' ' TYR . . . . . . . . . . . . . 46.8 t80 -136.19 132.05 35.41 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.263 -0.426 . . . . 75.45 110.067 -176.041 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 6' ' ' LYS . . . . . 0.48 ' HD3' ' HG2' ' A' ' 82' ' ' GLU . 30.3 ttmt -140.22 134.77 31.58 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.017 0.437 . . . . 65.01 110.961 177.43 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 5.2 t -131.55 155.14 48.0 Favored 'General case' 0 C--O 1.238 0.453 0 CA-C-N 115.457 -0.792 . . . . 72.52 109.239 177.399 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 8' ' ' ALA . . . . . 0.479 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . . . -121.94 147.53 45.91 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.025 0.441 . . . . 64.22 111.186 -173.698 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -141.76 118.93 11.35 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.812 -0.631 . . . . 31.45 109.473 176.471 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 10' ' ' THR . . . . . 0.502 ' HA ' ' HA ' ' A' ' 80' ' ' THR . 9.5 t -96.43 137.91 34.81 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.997 -0.547 . . . . 64.31 109.727 -177.791 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 76.0 p -124.69 113.42 17.96 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.998 0.428 . . . . 74.14 110.39 -178.748 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 4.9 m -98.82 157.6 16.18 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.005 0.431 . . . . 53.42 110.497 -179.053 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -81.72 74.86 2.4 Favored Glycine 0 N--CA 1.447 -0.614 0 N-CA-C 111.055 -0.818 . . . . 71.12 111.055 174.899 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -55.67 -104.77 0.01 OUTLIER Glycine 0 C--N 1.338 0.663 0 C-N-CA 121.465 -0.398 . . . . 73.4 112.455 179.279 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 15.4 mmm180 -88.98 -50.12 6.37 Favored 'General case' 0 C--N 1.328 -0.333 0 O-C-N 122.355 -0.497 . . . . 65.14 110.089 170.452 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 16' ' ' ASP . . . . . 0.537 ' HB3' ' HA ' ' B' ' 31' ' ' SER . 13.8 t70 -125.76 -42.65 1.9 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.754 -0.657 . . . . 65.33 109.331 176.085 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 17' ' ' GLY . . . . . 0.455 ' O ' ' HG3' ' B' ' 29' ' ' LYS . . . -162.17 154.08 24.94 Favored Glycine 0 C--N 1.339 0.729 0 C-N-CA 120.823 -0.703 . . . . 74.22 111.859 167.288 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 18' ' ' ARG . . . . . 0.638 ' HA ' ' HA ' ' B' ' 29' ' ' LYS . 41.5 ttm180 -132.89 146.9 52.21 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.508 -0.553 . . . . 74.4 109.508 175.336 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 19' ' ' ALA . . . . . 0.59 ' HB1' ' HB1' ' A' ' 52' ' ' ALA . . . -133.28 123.77 26.1 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.746 -0.465 . . . . 64.21 109.746 177.055 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 27.8 m -134.2 114.98 13.65 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.367 -0.379 . . . . 75.11 110.719 -174.354 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 21' ' ' SER . . . . . 0.563 ' HB3' ' N ' ' B' ' 26' ' ' LEU . 34.6 t -71.04 113.05 7.68 Favored 'General case' 0 C--O 1.248 0.996 0 N-CA-C 107.968 -1.123 . . . . 74.21 107.968 176.177 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 22' ' ' HIS . . . . . . . . . . . . . 53.5 t-80 -60.03 -15.91 26.68 Favored 'General case' 0 N--CA 1.471 0.581 0 O-C-N 126.159 2.162 . . . . 73.12 112.459 -167.454 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -80.53 11.59 3.63 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 110.08 -0.341 . . . . 63.54 110.08 175.314 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 31.2 mm-40 67.98 18.07 9.54 Favored 'General case' 0 C--N 1.342 0.261 0 CA-C-N 115.41 -0.814 . . . . 71.43 109.822 -178.63 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 34.1 mmtp -87.92 -20.05 26.47 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 115.224 -0.898 . . . . 41.25 110.92 -178.104 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 26' ' ' LEU . . . . . 0.563 ' N ' ' HB3' ' B' ' 21' ' ' SER . 54.9 tp -146.97 144.22 29.03 Favored 'General case' 0 CA--C 1.515 -0.381 0 C-N-CA 119.643 -0.823 . . . . 71.52 110.966 176.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -156.83 90.99 1.18 Allowed 'General case' 0 C--N 1.327 -0.38 0 O-C-N 123.591 0.557 . . . . 53.33 109.544 175.088 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 28' ' ' VAL . . . . . 0.415 ' O ' ' HG3' ' B' ' 18' ' ' ARG . 5.8 m -136.03 178.07 5.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.879 -0.6 . . . . 74.12 110.699 -179.191 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.638 ' HA ' ' HA ' ' B' ' 18' ' ' ARG . 7.6 ttpp -142.09 140.14 32.43 Favored 'General case' 0 C--N 1.319 -0.717 0 CA-C-N 115.778 -0.646 . . . . 64.31 110.333 -175.194 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 30' ' ' LEU . . . . . 0.656 ' HA ' ' H ' ' B' ' 44' ' ' THR . 0.0 OUTLIER -124.05 170.44 10.66 Favored 'General case' 0 C--O 1.248 1.013 0 CA-C-O 121.109 0.48 . . . . 72.32 111.078 179.112 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 31' ' ' SER . . . . . 0.537 ' HA ' ' HB3' ' B' ' 16' ' ' ASP . 50.3 m -152.6 133.58 14.12 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 115.412 -0.813 . . . . 62.35 110.804 -176.187 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.88 141.93 95.09 Favored Pre-proline 0 C--O 1.244 0.763 0 CA-C-N 116.045 -0.525 . . . . 75.13 110.149 176.649 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 33' ' ' PRO . . . . . 0.52 ' HG3' ' ND2' ' B' ' 45' ' ' ASN . 64.5 Cg_exo -51.85 113.51 1.2 Allowed 'Trans proline' 0 C--N 1.348 0.539 0 C-N-CA 122.723 2.282 . . . . 71.3 112.37 -179.223 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 34' ' ' ARG . . . . . 0.584 ' HB2' ' HA3' ' B' ' 40' ' ' GLY . 0.0 OUTLIER -51.6 -32.58 29.31 Favored 'General case' 0 N--CA 1.445 -0.689 0 C-N-CA 123.134 0.574 . . . . 71.43 110.59 177.267 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 7.5 mp0 -52.02 -43.19 63.58 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.559 -0.746 . . . . 72.42 111.219 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 20.1 mt -89.25 -35.69 16.03 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.286 -0.87 . . . . 63.52 110.863 -173.16 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 151.61 38.71 0.03 OUTLIER Glycine 0 C--N 1.33 0.201 0 C-N-CA 121.026 -0.607 . . . . 51.22 112.463 178.506 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -113.17 -137.91 6.95 Favored Glycine 0 N--CA 1.446 -0.681 0 C-N-CA 120.831 -0.7 . . . . 64.12 111.494 -177.789 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 39' ' ' ALA . . . . . 0.462 ' C ' ' HG2' ' B' ' 34' ' ' ARG . . . -119.09 -17.34 8.99 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 111.527 0.195 . . . . 71.25 111.527 -177.631 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 40' ' ' GLY . . . . . 0.584 ' HA3' ' HB2' ' B' ' 34' ' ' ARG . . . 46.36 33.09 5.6 Favored Glycine 0 C--N 1.34 0.779 0 CA-C-O 121.763 0.646 . . . . 53.13 111.514 -174.539 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 41' ' ' ALA . . . . . 0.413 ' HB3' ' OG ' ' B' ' 31' ' ' SER . . . -83.84 -166.83 1.51 Allowed 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 114.294 -0.953 . . . . 45.11 112.368 -171.718 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -72.28 74.7 0.99 Allowed 'General case' 0 CA--C 1.514 -0.412 0 CA-C-N 114.955 -1.021 . . . . 74.14 110.052 178.805 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -161.92 -171.91 28.64 Favored Glycine 0 C--N 1.308 -0.974 0 CA-C-N 114.753 -1.112 . . . . 72.12 113.488 178.737 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 44' ' ' THR . . . . . 0.656 ' H ' ' HA ' ' B' ' 30' ' ' LEU . 9.5 t -115.3 171.86 7.43 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 123.072 0.549 . . . . 35.03 109.848 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 45' ' ' ASN . . . . . 0.52 ' ND2' ' HG3' ' B' ' 33' ' ' PRO . 17.1 m120 -74.88 117.5 63.08 Favored Pre-proline 0 C--N 1.33 -0.253 0 N-CA-C 110.184 -0.302 . . . . 71.14 110.184 178.18 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 46' ' ' PRO . . . . . . . . . . . . . 75.7 Cg_exo -51.98 -41.05 66.03 Favored 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 122.572 2.182 . . . . 54.41 111.375 173.862 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 47' ' ' GLU . . . . . 0.509 ' CD ' ' H ' ' B' ' 47' ' ' GLU . 2.8 mp0 -56.0 -50.84 69.73 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-O 121.74 0.781 . . . . 73.03 109.268 176.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 48' ' ' GLN . . . . . 0.527 ' OE1' HG23 ' A' ' 7' ' ' THR . 15.7 tp60 -69.04 -30.79 69.21 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 114.76 -1.109 . . . . 65.22 110.68 -177.084 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 49' ' ' LEU . . . . . 0.466 HD12 ' HA3' ' A' ' 53' ' ' GLY . 2.1 tm? -63.45 -53.91 44.75 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.312 -0.625 . . . . 73.15 109.312 179.63 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 40.1 t80 -58.85 -46.08 88.58 Favored 'General case' 0 C--O 1.226 -0.161 0 CA-C-N 116.472 -0.331 . . . . 74.53 110.213 176.307 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 51' ' ' ALA . . . . . 0.571 ' HB2' HG11 ' B' ' 83' ' ' VAL . . . -53.94 -52.65 59.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.163 -0.471 . . . . 63.22 111.63 -179.825 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -66.21 -46.86 75.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.007 -0.542 . . . . 74.31 110.728 -176.753 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 53' ' ' GLY . . . . . 0.561 ' HA3' HD12 ' A' ' 49' ' ' LEU . . . -62.73 -34.9 91.01 Favored Glycine 0 C--N 1.333 0.384 0 C-N-CA 121.027 -0.606 . . . . 73.22 111.895 179.26 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -69.91 -41.34 74.8 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 122.683 0.393 . . . . 73.14 110.166 177.705 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 55' ' ' SER . . . . . 0.505 ' OG ' ' HB2' ' B' ' 81' ' ' ALA . 48.9 m -61.89 -49.16 77.3 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.904 -0.406 . . . . 71.55 109.904 177.702 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 56' ' ' ALA . . . . . 0.568 ' HB1' HD21 ' A' ' 30' ' ' LEU . . . -62.52 -39.13 92.54 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.025 -0.534 . . . . 72.32 110.55 177.56 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 57' ' ' CYS . . . . . . . . . . . . . 41.9 t -61.86 -36.47 81.33 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.872 -0.604 . . . . 72.4 109.957 175.476 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 21.9 t80 -62.75 -39.8 95.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.723 -0.671 . . . . 52.32 110.152 -177.764 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -64.52 -41.22 96.53 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 116.058 -0.519 . . . . 64.41 110.444 176.159 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 60' ' ' SER . . . . . 0.441 ' O ' ' HB3' ' B' ' 63' ' ' LYS . 16.5 t -67.33 -42.3 83.83 Favored 'General case' 0 C--O 1.239 0.539 0 CA-C-O 121.25 0.548 . . . . 73.23 110.384 -179.444 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 61' ' ' ALA . . . . . 0.473 ' O ' HG23 ' B' ' 65' ' ' VAL . . . -60.86 -49.23 78.33 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.076 -0.511 . . . . 44.1 110.014 177.293 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 62' ' ' MET . . . . . 0.479 ' HA ' ' HB ' ' B' ' 65' ' ' VAL . 87.0 mmm -66.84 -27.08 67.26 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.225 -0.443 . . . . 71.0 110.599 177.792 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 63' ' ' LYS . . . . . 0.441 ' HB3' ' O ' ' B' ' 60' ' ' SER . 19.9 tptm -60.41 -48.9 79.77 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.009 -0.737 . . . . 72.03 109.009 175.776 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 47.1 t80 -69.79 -43.72 71.54 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 115.34 -0.846 . . . . 73.11 110.809 177.12 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 65' ' ' VAL . . . . . 0.479 ' HB ' ' HA ' ' B' ' 62' ' ' MET . 40.1 t -56.47 -45.45 81.94 Favored 'Isoleucine or valine' 0 C--O 1.233 0.234 0 CA-C-N 116.06 -0.518 . . . . 75.05 111.032 -178.693 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 66' ' ' ALA . . . . . 0.447 ' HA ' ' HG3' ' B' ' 71' ' ' GLN . . . -59.08 -32.43 69.79 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.239 0.542 . . . . 74.13 110.237 179.098 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -72.56 -25.17 74.83 Favored Glycine 0 N--CA 1.451 -0.323 0 CA-C-N 115.369 -0.832 . . . . 75.04 112.625 -176.643 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -98.97 -21.49 16.22 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 121.053 0.454 . . . . 64.5 109.8 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 7.2 m120 -93.76 1.01 56.61 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.712 -0.676 . . . . 65.21 111.142 -178.376 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 70' ' ' LYS . . . . . 0.415 ' HD3' ' N ' ' B' ' 70' ' ' LYS . 21.9 mmtm 65.55 24.14 11.78 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 115.624 -0.717 . . . . 73.12 111.13 172.256 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 71' ' ' GLN . . . . . 0.447 ' HG3' ' HA ' ' B' ' 66' ' ' ALA . 2.3 pt20 -114.17 167.74 10.42 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.616 -0.72 . . . . 74.24 110.374 -179.524 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 21.4 p -128.19 132.22 48.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 74.12 110.939 -176.711 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 73' ' ' LEU . . . . . 0.463 ' HA ' ' HD3' ' B' ' 74' ' ' PRO . 87.1 mt -109.58 139.61 21.34 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 75.15 110.857 -177.608 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 74' ' ' PRO . . . . . 0.463 ' HD3' ' HA ' ' B' ' 73' ' ' LEU . 19.1 Cg_exo -67.47 132.52 27.5 Favored 'Trans proline' 0 C--N 1.349 0.587 0 C-N-CA 122.999 2.466 . . . . 62.01 111.751 176.478 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -76.77 -1.56 28.72 Favored 'General case' 0 N--CA 1.465 0.308 0 N-CA-C 112.063 0.394 . . . . 71.53 112.063 -176.848 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -92.14 3.95 54.22 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-O 121.358 0.599 . . . . 60.22 110.973 -178.501 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 77' ' ' THR . . . . . 0.6 ' HB ' HD22 ' B' ' 103' ' ' LEU . 5.3 t -72.78 152.56 41.53 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-N 116.185 -0.461 . . . . 73.25 111.426 -177.346 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 2.6 p -140.08 154.17 46.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.791 -0.64 . . . . 71.23 110.889 178.534 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 74.2 t -131.12 119.06 43.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 115.583 -0.735 . . . . 54.24 109.338 175.528 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 80' ' ' THR . . . . . 0.502 ' HB ' ' HB3' ' B' ' 100' ' ' ARG . 4.4 m -98.68 109.72 22.44 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.94 -0.573 . . . . 72.42 110.243 -178.412 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 81' ' ' ALA . . . . . 0.522 ' HB1' ' HB1' ' B' ' 51' ' ' ALA . . . -93.34 104.58 16.73 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.156 -0.475 . . . . 73.43 110.112 178.792 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 82' ' ' GLU . . . . . 0.459 ' HA ' ' HA ' ' A' ' 8' ' ' ALA . 34.3 tt0 -107.31 107.69 18.72 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.195 -0.669 . . . . 71.23 109.195 179.386 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 83' ' ' VAL . . . . . 0.571 HG11 ' HB2' ' B' ' 51' ' ' ALA . 23.9 m -107.88 141.72 22.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 121.011 0.434 . . . . 71.44 111.322 -173.889 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 84' ' ' GLY . . . . . 0.449 ' HA2' ' HA ' ' A' ' 6' ' ' LYS . . . -138.38 165.43 25.49 Favored Glycine 0 N--CA 1.441 -1.014 0 CA-C-N 115.699 -0.682 . . . . 52.45 111.586 179.48 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -146.43 136.37 17.53 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.809 0 N-CA-C 109.411 -0.589 . . . . 73.1 109.411 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 86' ' ' GLY . . . . . 0.49 ' HA2' ' HG ' ' A' ' 4' ' ' LEU . . . -148.45 170.02 29.0 Favored Glycine 0 C--N 1.328 0.089 0 O-C-N 123.659 0.6 . . . . 52.3 111.962 -178.548 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 87' ' ' PRO . . . . . 0.803 ' HD3' ' HG ' ' A' ' 4' ' ' LEU . 7.6 Cg_exo -69.86 117.28 5.0 Favored 'Trans proline' 0 N--CA 1.459 -0.511 0 C-N-CA 122.583 2.188 . . . . 61.3 110.766 -178.406 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 88' ' ' ASN . . . . . . . . . . . . . 50.3 t-20 -71.96 137.64 47.47 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 109.069 -0.715 . . . . 72.3 109.069 178.783 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -65.26 -11.56 42.59 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.236 0.541 . . . . 65.22 110.669 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -67.15 -22.11 65.79 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 115.476 -0.783 . . . . 74.05 110.468 171.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.59 34.82 3.46 Favored Glycine 0 C--N 1.329 0.171 0 CA-C-N 115.675 -0.693 . . . . 72.2 112.005 -177.488 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . -151.49 -133.72 2.05 Favored Glycine 0 N--CA 1.452 -0.275 0 N-CA-C 111.275 -0.73 . . . . 70.13 111.275 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 93' ' ' PHE . . . . . 0.419 ' HE1' ' CZ ' ' A' ' 64' ' ' PHE . 39.7 m-85 -127.51 148.04 50.32 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 117.105 0.452 . . . . 73.12 110.394 179.621 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -132.71 136.49 46.44 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.873 -0.603 . . . . 62.21 109.798 -179.35 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -99.82 123.66 44.31 Favored 'General case' 0 C--N 1.331 -0.214 0 O-C-N 123.675 0.61 . . . . 74.21 110.533 -178.74 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 96' ' ' ASP . . . . . 0.457 ' HB2' ' SD ' ' A' ' 1' ' ' MET . 37.2 t70 -110.16 110.28 21.09 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.477 -0.783 . . . . 73.53 109.37 178.685 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 97' ' ' VAL . . . . . 0.833 ' HB ' HG22 ' B' ' 134' ' ' VAL . 57.3 t -112.98 110.8 33.53 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.883 0 CA-C-O 120.577 0.227 . . . . 65.34 111.127 -176.244 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 98' ' ' GLU . . . . . 0.567 ' HG2' ' HB3' ' B' ' 135' ' ' ARG . 43.8 mt-10 -96.5 107.16 19.52 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 110.091 -0.337 . . . . 74.42 110.091 177.314 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 76.9 mt -94.46 108.13 20.07 Favored 'General case' 0 C--O 1.236 0.342 0 CA-C-N 116.244 -0.435 . . . . 61.12 110.091 179.354 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 100' ' ' ARG . . . . . 0.546 ' HA ' ' O ' ' B' ' 137' ' ' VAL . 34.9 ttt-85 -99.46 118.03 35.17 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.736 -0.665 . . . . 64.11 110.149 -176.253 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 101' ' ' VAL . . . . . . . . . . . . . 98.1 t -106.75 109.68 28.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.263 -0.426 . . . . 60.12 111.18 -175.692 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 102' ' ' ALA . . . . . 0.524 ' HA ' ' HB3' ' B' ' 139' ' ' ALA . . . -105.48 101.05 10.6 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.981 0.419 . . . . 53.32 109.961 175.023 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 103' ' ' LEU . . . . . 0.665 ' HB3' HD23 ' B' ' 106' ' ' LEU . 2.7 tm? -111.58 115.12 51.93 Favored Pre-proline 0 C--N 1.328 -0.363 0 N-CA-C 107.971 -1.122 . . . . 72.24 107.971 177.879 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 104' ' ' PRO . . . . . 0.518 ' HD2' HD22 ' B' ' 103' ' ' LEU . 38.8 Cg_endo -69.19 145.01 59.05 Favored 'Trans proline' 0 N--CA 1.46 -0.443 0 C-N-CA 122.199 1.932 . . . . 74.24 112.856 -174.628 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 105' ' ' GLY . . . . . . . . . . . . . . . 73.82 15.13 79.63 Favored Glycine 0 CA--C 1.519 0.295 0 CA-C-N 115.366 -0.834 . . . . 72.34 112.139 -178.234 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 106' ' ' LEU . . . . . 0.665 HD23 ' HB3' ' B' ' 103' ' ' LEU . 42.8 tp -124.53 140.77 52.63 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-O 120.769 0.319 . . . . 60.53 111.054 -176.728 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -79.24 165.04 23.66 Favored 'General case' 0 CA--C 1.512 -0.483 0 CA-C-N 115.948 -0.569 . . . . 63.12 110.804 -179.505 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 108' ' ' ALA . . . . . 0.568 ' O ' ' HG3' ' B' ' 112' ' ' LYS . . . -65.71 -46.55 78.53 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.876 -0.602 . . . . 34.32 109.437 169.635 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -56.64 -51.19 69.64 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 115.564 -0.744 . . . . 64.51 111.273 -176.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 110' ' ' ALA . . . . . 0.483 ' O ' HG22 ' B' ' 113' ' ' THR . . . -71.51 -42.52 67.9 Favored 'General case' 0 C--O 1.238 0.49 0 CA-C-N 115.957 -0.565 . . . . 72.03 110.4 -179.489 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 111' ' ' ALA . . . . . 0.44 ' HA ' HD21 ' B' ' 106' ' ' LEU . . . -54.59 -37.39 65.48 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.059 -0.519 . . . . 64.14 111.108 178.872 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 112' ' ' LYS . . . . . 0.568 ' HG3' ' O ' ' B' ' 108' ' ' ALA . 29.2 mtpp -53.1 -49.32 66.69 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.483 -0.326 . . . . 74.45 110.947 178.094 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 113' ' ' THR . . . . . 0.483 HG22 ' O ' ' B' ' 110' ' ' ALA . 1.2 t -74.5 -36.22 63.24 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.351 -0.386 . . . . 72.03 110.615 -176.479 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 48.2 mt -65.6 -46.3 79.88 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 120.849 0.356 . . . . 70.23 110.616 -179.231 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 115' ' ' VAL . . . . . 0.421 HG23 ' O ' ' B' ' 111' ' ' ALA . 86.1 t -66.09 -33.65 64.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.023 -0.535 . . . . 63.55 110.146 177.504 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 23.7 t0 -63.18 -56.74 14.16 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 115.93 -0.577 . . . . 75.43 111.047 178.732 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 117' ' ' ARG . . . . . 0.425 ' HG2' ' O ' ' B' ' 113' ' ' THR . 14.7 ptm180 -64.93 -35.02 79.83 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-O 121.178 0.513 . . . . 70.2 110.4 -177.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -61.59 -36.47 80.77 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.674 -0.694 . . . . 61.11 109.818 174.469 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 119' ' ' HIS . . . . . 0.675 ' HA ' ' HB2' ' B' ' 125' ' ' SER . 29.6 m80 -81.73 13.77 3.01 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 116.061 -0.518 . . . . 74.31 112.137 174.331 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 67.4 m170 -106.66 -50.95 3.02 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-O 120.983 0.421 . . . . 61.52 110.807 174.87 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 32.0 m -84.81 27.53 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.491 0 N-CA-C 113.504 0.927 . . . . 63.42 113.504 -168.114 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 122' ' ' CYS . . . . . 0.499 ' HB2' ' OG ' ' B' ' 125' ' ' SER . 84.7 m -144.26 139.79 16.15 Favored Pre-proline 0 CA--C 1.534 0.362 0 O-C-N 122.221 -0.3 . . . . 74.53 110.776 179.272 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 123' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_endo -61.22 -43.3 29.78 Favored 'Trans proline' 0 C--N 1.352 0.76 0 C-N-CA 122.752 2.301 . . . . 65.25 111.886 -179.487 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 124' ' ' TYR . . . . . . . . . . . . . 55.7 m-85 -57.64 -41.59 81.73 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 121.27 0.557 . . . . 65.35 110.395 178.517 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 125' ' ' SER . . . . . 0.675 ' HB2' ' HA ' ' B' ' 119' ' ' HIS . 45.3 p -80.51 -30.45 37.26 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.708 -0.678 . . . . 64.23 111.973 -172.236 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 126' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 -62.03 -48.55 79.78 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-O 121.284 0.564 . . . . 74.24 109.859 175.837 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 127' ' ' ALA . . . . . 0.576 ' O ' ' HB3' ' B' ' 131' ' ' ASN . . . -73.33 -14.53 61.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.304 -0.862 . . . . 65.3 112.005 -177.104 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 128' ' ' THR . . . . . 0.461 HG22 ' O ' ' B' ' 125' ' ' SER . 1.4 t -95.74 -12.37 25.53 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.149 -0.685 . . . . 55.14 109.149 -170.931 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 129' ' ' ARG . . . . . 0.451 ' HG2' ' O ' ' B' ' 125' ' ' SER . 14.8 ptm180 -112.14 -46.62 3.18 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 115.594 -0.73 . . . . 75.21 110.603 -176.007 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 130' ' ' ASN . . . . . . . . . . . . . 53.3 m-80 -78.82 -39.84 34.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.149 0.5 . . . . 74.14 111.322 179.072 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 131' ' ' ASN . . . . . 0.576 ' HB3' ' O ' ' B' ' 127' ' ' ALA . 0.2 OUTLIER -94.68 -38.77 10.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.775 -0.648 . . . . 75.43 111.148 -172.371 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 132' ' ' VAL . . . . . 0.402 HG23 ' O ' ' B' ' 127' ' ' ALA . 47.4 t -112.4 153.84 13.97 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.426 0 CA-C-O 120.723 0.297 . . . . 52.13 111.235 -172.363 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 133' ' ' ALA . . . . . . . . . . . . . . . -84.96 95.2 8.98 Favored 'General case' 0 C--O 1.239 0.5 0 CA-C-O 121.57 0.7 . . . . 72.23 110.937 -179.756 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 134' ' ' VAL . . . . . 0.833 HG22 ' HB ' ' B' ' 97' ' ' VAL . 77.2 t -125.33 113.53 35.73 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.469 0 CA-C-N 115.182 -0.917 . . . . 61.1 111.196 -177.899 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 135' ' ' ARG . . . . . 0.567 ' HB3' ' HG2' ' B' ' 98' ' ' GLU . 17.4 tpt180 -74.33 110.95 9.04 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.389 -0.823 . . . . 74.32 109.862 175.383 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 40.5 mt -81.62 109.44 16.06 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.05 0.452 . . . . 72.41 110.193 175.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 137' ' ' VAL . . . . . 0.546 ' O ' ' HA ' ' B' ' 100' ' ' ARG . 0.2 OUTLIER -119.53 116.36 50.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.626 -0.715 . . . . 72.22 110.04 -179.006 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 138' ' ' VAL . . . . . . . . . . . . . 4.2 m -99.17 138.62 23.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.999 -0.546 . . . . 70.52 109.635 179.314 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 139' ' ' ALA . . . . . 0.524 ' HB3' ' HA ' ' B' ' 102' ' ' ALA . . . . . . . . 0 C--O 1.251 1.158 0 CA-C-N 115.775 -0.648 . . . . 71.35 110.419 -175.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.406 ' HE3' HD13 ' A' ' 3' ' ' ILE . 19.0 ptt? . . . . . 0 N--CA 1.481 1.105 0 N-CA-C 110.337 -0.246 . . . . 71.43 110.337 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 41.4 t30 -76.36 74.36 3.13 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-O 121.335 0.588 . . . . 75.52 110.436 177.373 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.53 HG21 ' HB2' ' A' ' 6' ' ' LYS . 30.8 mm -70.74 131.7 34.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.48 -0.782 . . . . 51.02 111.114 174.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.709 ' HG ' ' HD3' ' B' ' 87' ' ' PRO . 88.9 mt -86.62 -43.45 12.64 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.931 -0.577 . . . . 74.21 110.122 176.068 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 43.6 t80 -138.31 130.06 28.07 Favored 'General case' 0 C--O 1.222 -0.366 0 CA-C-N 115.934 -0.576 . . . . 54.43 110.112 -177.366 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.53 ' HB2' HG21 ' A' ' 3' ' ' ILE . 28.4 ttmt -143.6 130.7 20.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.772 0.32 . . . . 62.42 111.108 177.456 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 9.3 t -125.46 148.8 48.7 Favored 'General case' 0 C--O 1.238 0.453 0 CA-C-N 115.843 -0.617 . . . . 73.02 109.89 179.281 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.476 ' HA ' ' HA ' ' B' ' 82' ' ' GLU . . . -110.9 155.59 22.41 Favored 'General case' 0 C--O 1.238 0.455 0 CA-C-O 121.237 0.541 . . . . 64.34 112.076 -176.182 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.563 ' HA ' ' HA ' ' A' ' 21' ' ' SER . . . -153.5 116.97 4.65 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.226 -0.897 . . . . 65.14 109.662 176.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.541 ' HA ' ' HA ' ' B' ' 80' ' ' THR . 14.4 t -102.63 142.89 33.04 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.833 -0.432 . . . . 73.43 109.833 -179.249 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.449 ' HA ' ' O ' ' A' ' 18' ' ' ARG . 23.3 p -127.84 113.78 16.37 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.157 0.504 . . . . 71.32 111.057 -177.627 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.432 ' HB ' ' HB3' ' A' ' 18' ' ' ARG . 3.0 m -81.32 157.45 25.08 Favored 'General case' 0 C--O 1.248 0.99 0 CA-C-N 115.927 -0.579 . . . . 72.12 110.717 177.213 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -72.94 73.34 1.03 Allowed Glycine 0 N--CA 1.444 -0.817 0 CA-C-N 115.542 -0.754 . . . . 62.44 112.367 175.57 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -67.64 -169.19 4.38 Favored Glycine 0 C--N 1.332 0.319 0 C-N-CA 120.949 -0.643 . . . . 62.02 111.698 171.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 10.6 mpt_? -51.48 -46.68 63.21 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 116.991 0.395 . . . . 73.04 110.397 178.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.566 ' HB3' ' HA ' ' A' ' 31' ' ' SER . 19.5 t70 -125.8 -43.05 1.87 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.985 -0.552 . . . . 74.22 109.6 173.852 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -163.85 144.89 9.86 Favored Glycine 0 C--N 1.345 1.082 0 C-N-CA 120.136 -1.03 . . . . 73.12 111.957 165.307 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.449 ' O ' ' HA ' ' A' ' 11' ' ' SER . 4.0 tmt_? -123.84 100.65 6.86 Favored 'General case' 0 C--O 1.221 -0.42 0 CA-C-N 117.448 0.624 . . . . 73.24 109.343 179.196 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.44 ' HB1' ' HB1' ' B' ' 52' ' ' ALA . . . -104.33 139.75 38.86 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 121.172 0.51 . . . . 71.12 111.236 -170.271 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.419 ' OG1' ' NH1' ' A' ' 18' ' ' ARG . 24.3 m -149.75 113.23 4.98 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 116.026 -0.534 . . . . 63.53 110.84 -177.869 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.563 ' HA ' ' HA ' ' A' ' 9' ' ' ALA . 47.9 t -69.83 111.31 5.48 Favored 'General case' 0 C--O 1.246 0.889 0 N-CA-C 107.951 -1.129 . . . . 62.3 107.951 177.834 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.41 ' C ' ' H ' ' A' ' 24' ' ' GLN . 57.2 t-80 -55.51 -24.44 31.71 Favored 'General case' 0 C--N 1.347 0.466 0 O-C-N 126.207 2.192 . . . . 71.44 112.835 -166.457 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.413 ' HB2' ' HZ3' ' A' ' 25' ' ' LYS . 14.7 m-20 -80.47 16.92 1.19 Allowed 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.646 -0.501 . . . . 73.43 109.646 178.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.41 ' H ' ' C ' ' A' ' 22' ' ' HIS . 28.2 mm-40 69.27 20.35 7.48 Favored 'General case' 0 CA--C 1.521 -0.155 0 CA-C-N 115.432 -0.804 . . . . 72.53 109.989 177.387 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.413 ' HZ3' ' HB2' ' A' ' 23' ' ' ASP . 26.9 mtmm -86.21 -25.49 25.6 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 115.428 -0.806 . . . . 73.44 111.106 -179.787 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.543 ' N ' ' HB3' ' A' ' 21' ' ' SER . 55.9 tp -145.98 148.16 32.45 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 119.848 -0.741 . . . . 74.42 111.202 -178.422 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -161.32 91.44 0.85 Allowed 'General case' 0 CA--C 1.534 0.338 0 O-C-N 123.734 0.646 . . . . 74.13 109.849 179.702 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.417 HG22 HD11 ' A' ' 26' ' ' LEU . 4.2 m -148.88 178.09 0.79 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.464 0 CA-C-O 121.778 0.799 . . . . 62.12 111.838 178.902 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -121.7 148.12 45.02 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 114.752 -1.113 . . . . 62.42 109.163 176.136 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.732 ' HA ' ' H ' ' A' ' 44' ' ' THR . 0.0 OUTLIER -127.96 156.07 43.25 Favored 'General case' 0 C--O 1.254 1.333 0 N-CA-C 110.064 -0.347 . . . . 64.12 110.064 173.366 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.566 ' HA ' ' HB3' ' A' ' 16' ' ' ASP . 49.0 m -160.07 140.42 11.76 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 115.227 -0.897 . . . . 75.34 111.257 -175.333 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.33 146.46 88.97 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 115.665 -0.698 . . . . 52.21 109.495 173.555 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_endo -67.04 14.69 0.13 Allowed 'Trans proline' 0 CA--C 1.537 0.673 0 C-N-CA 123.192 2.595 . . . . 73.33 114.712 -169.843 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.484 ' HA ' ' H ' ' A' ' 38' ' ' GLY . 0.0 OUTLIER 71.8 -37.12 0.38 Allowed 'General case' 0 CA--C 1.539 0.541 0 N-CA-C 112.988 0.736 . . . . 50.12 112.988 177.011 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -48.31 -31.76 6.46 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-O 121.556 0.693 . . . . 75.14 111.495 179.085 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 13.4 mt -108.79 17.71 21.55 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.161 -0.927 . . . . 63.44 110.958 -171.225 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 80.94 54.25 3.68 Favored Glycine 0 CA--C 1.52 0.345 0 C-N-CA 121.03 -0.605 . . . . 72.22 111.606 -176.239 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.484 ' H ' ' HA ' ' A' ' 34' ' ' ARG . . . -83.42 -88.22 0.77 Allowed Glycine 0 C--N 1.332 0.322 0 C-N-CA 121.357 -0.449 . . . . 73.44 112.973 -176.403 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -167.41 -42.93 0.02 OUTLIER 'General case' 0 C--O 1.233 0.219 0 CA-C-O 120.869 0.366 . . . . 63.22 111.2 179.099 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 96.5 64.09 0.93 Allowed Glycine 0 C--O 1.235 0.179 0 N-CA-C 110.614 -0.995 . . . . 45.53 110.614 -176.034 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.458 ' HB3' ' OG ' ' A' ' 31' ' ' SER . . . -136.01 176.65 8.5 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.247 0.546 . . . . 44.21 111.833 -174.669 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -103.04 80.23 1.84 Allowed 'General case' 0 CA--C 1.514 -0.418 0 CA-C-N 115.021 -0.991 . . . . 71.23 109.642 -178.053 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -144.59 -164.93 10.8 Favored Glycine 0 C--N 1.31 -0.908 0 CA-C-N 114.478 -1.237 . . . . 55.55 112.603 -179.722 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.732 ' H ' ' HA ' ' A' ' 30' ' ' LEU . 12.2 t -111.58 150.56 29.86 Favored 'General case' 0 C--O 1.234 0.262 0 N-CA-C 109.057 -0.72 . . . . 74.01 109.057 178.875 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.58 ' HB2' ' HB3' ' A' ' 48' ' ' GLN . 1.5 m-20 -65.92 138.89 96.54 Favored Pre-proline 0 C--N 1.325 -0.492 0 N-CA-C 110.339 -0.245 . . . . 72.33 110.339 -176.923 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 45' ' ' ASN . 31.4 Cg_exo -59.65 -58.16 0.67 Allowed 'Trans proline' 0 C--N 1.349 0.572 0 C-N-CA 123.039 2.493 . . . . 63.04 112.941 -175.351 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.11 -31.28 72.06 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-O 120.913 0.387 . . . . 62.13 110.299 -177.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.58 ' HB3' ' HB2' ' A' ' 45' ' ' ASN . 24.5 tt0 -63.13 -44.42 95.63 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 115.843 -0.617 . . . . 72.35 110.308 174.289 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.435 HD12 ' HA3' ' B' ' 53' ' ' GLY . 3.4 tm? -61.22 -50.31 73.61 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.308 -0.86 . . . . 71.11 109.805 -179.31 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 39.8 t80 -59.2 -49.4 77.99 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 115.97 -0.559 . . . . 64.45 110.544 178.31 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.452 ' HB2' ' CG1' ' A' ' 83' ' ' VAL . . . -53.41 -53.15 55.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.277 -0.419 . . . . 52.03 111.827 177.924 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.58 -45.76 90.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 51.43 110.998 -178.452 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.562 ' HA3' HD12 ' B' ' 49' ' ' LEU . . . -65.77 -40.57 95.74 Favored Glycine 0 C--N 1.333 0.399 0 CA-C-N 115.917 -0.583 . . . . 45.35 112.33 -179.576 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -69.73 -39.07 77.03 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 110.111 -0.329 . . . . 71.4 110.111 179.622 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 31.2 t -63.52 -47.71 80.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.072 0.463 . . . . 50.31 109.834 178.866 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.515 ' HB1' HD21 ' B' ' 30' ' ' LEU . . . -64.27 -44.6 91.22 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.84 -0.618 . . . . 72.41 110.515 178.327 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 42.0 t -60.19 -36.67 78.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.899 -0.591 . . . . 74.4 110.006 177.298 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 33.5 t80 -62.66 -50.13 72.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.529 -0.76 . . . . 64.12 110.747 -177.017 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.53 HD12 ' N ' ' A' ' 60' ' ' SER . 4.5 pp -69.23 -37.65 78.13 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 116.462 -0.335 . . . . 74.12 111.024 -177.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.53 ' N ' HD12 ' A' ' 59' ' ' LEU . 50.1 m -68.58 -38.61 80.81 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-O 120.803 0.335 . . . . 74.4 110.55 177.905 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.24 -42.28 84.23 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.005 0.431 . . . . 64.15 110.04 178.164 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 4.7 tpt -61.26 -40.83 95.54 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 115.688 -0.687 . . . . 61.32 109.847 177.028 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 48.8 tptt -63.38 -42.67 98.85 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 115.626 -0.716 . . . . 62.32 109.895 177.477 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.408 ' CZ ' ' HE1' ' B' ' 93' ' ' PHE . 87.1 t80 -61.08 -49.18 78.36 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 115.811 -0.631 . . . . 70.35 110.467 177.655 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 54.0 t -53.43 -48.68 57.0 Favored 'Isoleucine or valine' 0 C--O 1.235 0.319 0 CA-C-N 115.946 -0.57 . . . . 51.41 110.433 177.628 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -53.56 -34.79 59.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.908 -0.587 . . . . 55.45 110.493 178.591 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -69.28 -31.66 71.79 Favored Glycine 0 N--CA 1.45 -0.394 0 CA-C-N 115.43 -0.805 . . . . 65.01 112.267 -177.204 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.42 ' HG3' HD22 ' A' ' 69' ' ' ASN . 12.6 pt20 -98.75 -7.32 27.81 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.34 0.591 . . . . 73.33 109.549 -179.126 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.42 HD22 ' HG3' ' A' ' 68' ' ' GLN . 1.1 m-80 -100.95 3.75 41.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.245 -0.888 . . . . 73.35 110.5 176.511 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 33.4 mmtt 65.47 23.6 11.9 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 115.131 -0.94 . . . . 70.5 111.129 170.51 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -119.45 166.87 12.53 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.58 -0.736 . . . . 65.11 110.329 -179.089 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 19.9 p -122.23 128.88 51.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.478 -0.328 . . . . 71.13 111.421 -178.296 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 89.8 mt -109.79 137.97 20.56 Favored Pre-proline 0 C--N 1.326 -0.453 0 CA-C-N 115.945 -0.57 . . . . 63.13 110.526 177.158 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.4 ' O ' HG22 ' A' ' 77' ' ' THR . 45.9 Cg_exo -59.22 142.01 98.65 Favored 'Trans proline' 0 C--N 1.35 0.627 0 C-N-CA 123.276 2.651 . . . . 75.32 113.224 -176.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -77.45 -9.24 58.77 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.522 0.677 . . . . 74.43 110.603 174.438 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -85.21 16.65 3.45 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.127 -0.942 . . . . 72.44 111.255 -176.433 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.435 ' HB ' HD23 ' A' ' 103' ' ' LEU . 7.5 t -95.25 161.0 14.28 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.118 0.485 . . . . 73.42 111.512 -176.472 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 26.3 m -150.68 149.38 29.75 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.808 -0.633 . . . . 65.01 109.819 179.567 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 97.5 t -129.59 121.12 52.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 N-CA-C 109.446 -0.576 . . . . 73.54 109.446 176.252 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 38.8 m -105.38 115.5 30.36 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.659 -0.7 . . . . 61.0 110.787 -177.355 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -102.56 105.22 15.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.757 -0.656 . . . . 75.0 109.7 178.06 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.482 ' HA ' ' HA ' ' B' ' 8' ' ' ALA . 44.0 tt0 -104.79 113.02 26.35 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 110.075 -0.343 . . . . 74.0 110.075 -179.668 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.712 HG12 ' HB ' ' A' ' 97' ' ' VAL . 11.0 m -104.46 137.27 34.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 121.205 0.526 . . . . 74.25 111.695 -176.877 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.423 ' HA2' ' HA ' ' B' ' 6' ' ' LYS . . . -133.16 160.04 23.78 Favored Glycine 0 N--CA 1.442 -0.947 0 CA-C-N 115.363 -0.835 . . . . 64.22 111.497 174.418 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -143.8 136.64 23.94 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.761 0 N-CA-C 109.178 -0.675 . . . . 71.32 109.178 179.088 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' GLY . . . . . 0.402 ' HA2' ' HG ' ' B' ' 4' ' ' LEU . . . -153.41 170.01 32.23 Favored Glycine 0 C--O 1.228 -0.22 0 N-CA-C 111.472 -0.651 . . . . 64.2 111.472 -177.723 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.728 ' HD3' ' HG ' ' B' ' 4' ' ' LEU . 3.1 Cg_exo -73.62 135.0 21.18 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.489 2.126 . . . . 75.13 111.385 -178.65 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ASN . . . . . 0.525 ' HB2' ' HB2' ' A' ' 94' ' ' ALA . 19.2 t-20 -88.3 149.14 23.95 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.644 -0.502 . . . . 63.43 109.644 178.448 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -63.02 -13.49 36.06 Favored 'General case' 0 N--CA 1.466 0.372 0 O-C-N 123.194 0.309 . . . . 74.31 111.45 -178.167 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -67.16 -24.29 65.87 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-O 121.149 0.5 . . . . 62.35 110.589 174.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.13 34.97 3.53 Favored Glycine 0 CA--C 1.516 0.146 0 CA-C-N 115.822 -0.626 . . . . 52.42 111.799 -175.814 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -148.31 -144.53 3.99 Favored Glycine 0 C--N 1.33 0.233 0 N-CA-C 111.202 -0.759 . . . . 74.12 111.202 -179.476 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 31.5 m-85 -105.99 164.68 11.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 117.124 0.462 . . . . 72.25 111.045 178.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.525 ' HB2' ' HB2' ' A' ' 88' ' ' ASN . . . -149.29 131.56 15.53 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 108.88 -0.785 . . . . 73.43 108.88 177.548 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -100.17 146.8 26.41 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.128 0.49 . . . . 75.45 111.16 -177.833 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -137.09 132.03 33.52 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 114.567 -1.197 . . . . 62.1 108.603 -177.356 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.741 HG13 HG22 ' A' ' 134' ' ' VAL . 0.6 OUTLIER -146.77 122.06 2.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 121.475 0.655 . . . . 41.42 111.642 174.883 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -100.06 123.04 43.85 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.212 -0.904 . . . . 51.52 110.023 -179.117 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 73.1 mt -105.46 106.48 17.0 Favored 'General case' 0 C--O 1.233 0.225 0 N-CA-C 109.765 -0.457 . . . . 73.33 109.765 175.452 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.474 ' HA ' HG13 ' A' ' 137' ' ' VAL . 12.5 ttt85 -103.62 107.8 18.81 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.254 -0.885 . . . . 73.43 109.388 -175.822 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 53.3 t -102.5 97.47 5.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 120.627 0.251 . . . . 72.23 110.612 -172.158 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -91.91 101.25 13.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.908 0.385 . . . . 73.1 110.337 -179.322 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.435 HD23 ' HB ' ' A' ' 77' ' ' THR . 3.4 mt -116.42 116.95 38.91 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 115.924 -0.58 . . . . 73.31 110.023 -179.389 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -74.47 149.37 39.28 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.439 2.093 . . . . 73.52 112.38 -179.419 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 68.92 15.11 68.87 Favored Glycine 0 CA--C 1.523 0.59 0 CA-C-N 115.644 -0.707 . . . . 54.45 113.122 -179.635 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.436 HD21 ' HA ' ' A' ' 111' ' ' ALA . 37.3 tp -121.7 141.96 50.64 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 120.75 0.309 . . . . 65.03 111.018 -176.641 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -76.42 164.3 26.12 Favored 'General case' 0 CA--C 1.513 -0.471 0 CA-C-N 116.126 -0.488 . . . . 72.42 110.793 178.777 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.448 ' O ' ' HG3' ' A' ' 112' ' ' LYS . . . -68.63 -45.61 71.41 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.27 -0.877 . . . . 74.35 109.908 170.918 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -64.36 -42.21 96.32 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 115.4 -0.818 . . . . 64.13 110.906 -175.42 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.505 ' O ' HG22 ' A' ' 113' ' ' THR . . . -72.77 -44.12 61.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.725 -0.67 . . . . 73.25 110.009 178.066 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 111' ' ' ALA . . . . . 0.436 ' HA ' HD21 ' A' ' 106' ' ' LEU . . . -54.76 -40.94 69.88 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.018 -0.537 . . . . 54.13 111.139 179.684 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.448 ' HG3' ' O ' ' A' ' 108' ' ' ALA . 9.9 mtpm? -54.25 -49.35 69.71 Favored 'General case' 0 CA--C 1.529 0.171 0 CA-C-O 120.577 0.227 . . . . 74.23 110.963 178.288 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 113' ' ' THR . . . . . 0.505 HG22 ' O ' ' A' ' 110' ' ' ALA . 0.9 OUTLIER -70.08 -34.98 73.85 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 116.556 -0.293 . . . . 74.22 110.306 -176.417 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.47 ' HG ' ' O ' ' A' ' 110' ' ' ALA . 42.3 mt -64.73 -50.08 68.31 Favored 'General case' 0 N--CA 1.46 0.032 0 CA-C-N 116.32 -0.4 . . . . 61.01 110.254 179.33 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.508 HG21 HG12 ' A' ' 138' ' ' VAL . 87.6 t -63.9 -35.14 72.29 Favored 'Isoleucine or valine' 0 C--O 1.238 0.476 0 CA-C-N 116.322 -0.399 . . . . 72.22 110.53 178.304 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -58.66 -61.23 2.76 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 116.148 -0.478 . . . . 63.5 109.949 178.612 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' ARG . . . . . 0.431 ' HG2' ' O ' ' A' ' 113' ' ' THR . 10.8 ptm180 -64.97 -36.12 83.37 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.144 -0.48 . . . . 65.24 110.637 -177.382 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -57.0 -51.82 67.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.006 -0.543 . . . . 63.41 111.257 179.706 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 10.5 p-80 -77.79 1.4 20.34 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 121.176 -0.209 . . . . 74.13 110.628 -179.288 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 47.7 t-80 -101.25 -35.17 9.36 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.555 -0.293 . . . . 75.14 110.791 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 34.5 m -82.51 -20.81 9.74 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.289 0 CA-C-N 116.389 -0.369 . . . . 74.54 111.01 -178.831 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 74.0 m -83.98 146.08 48.01 Favored Pre-proline 0 CA--C 1.532 0.282 0 CA-C-N 116.234 -0.439 . . . . 72.12 110.183 178.34 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -53.08 -30.61 50.45 Favored 'Trans proline' 0 C--N 1.353 0.807 0 C-N-CA 122.787 2.325 . . . . 74.45 112.192 179.243 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -81.82 69.66 8.55 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 108.387 -0.968 . . . . 65.44 108.387 177.823 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 125' ' ' SER . . . . . 0.556 ' O ' HG22 ' A' ' 128' ' ' THR . 30.8 t -118.53 -81.01 0.62 Allowed 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 116.014 -0.539 . . . . 62.44 111.466 -174.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 33.5 t30 -60.33 -41.85 94.43 Favored 'General case' 0 C--O 1.237 0.434 0 CA-C-O 121.614 0.721 . . . . 73.42 109.941 -177.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 127' ' ' ALA . . . . . 0.5 ' HB2' ' HB1' ' B' ' 127' ' ' ALA . . . -68.38 -13.32 62.2 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 114.953 -1.021 . . . . 54.1 111.756 -179.158 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 128' ' ' THR . . . . . 0.556 HG22 ' O ' ' A' ' 125' ' ' SER . 0.6 OUTLIER -107.95 3.29 24.0 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.243 0.544 . . . . 73.21 110.009 -171.643 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 129' ' ' ARG . . . . . 0.407 ' HG3' ' N ' ' A' ' 130' ' ' ASN . 14.2 ptm180 -128.22 -59.52 1.17 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.135 -0.484 . . . . 72.04 110.862 179.651 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 130' ' ' ASN . . . . . 0.407 ' N ' ' HG3' ' A' ' 129' ' ' ARG . 88.3 m-20 -79.4 -34.28 41.95 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.86 0.362 . . . . 71.52 111.195 -177.365 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 131' ' ' ASN . . . . . 0.443 HD22 HG23 ' A' ' 132' ' ' VAL . 12.2 t30 -89.64 -37.94 14.27 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 116.193 -0.458 . . . . 72.12 111.36 -176.379 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 132' ' ' VAL . . . . . 0.443 HG23 HD22 ' A' ' 131' ' ' ASN . 99.3 t -121.29 138.19 52.48 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.42 0 N-CA-C 110.4 -0.222 . . . . 70.22 110.4 -179.275 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -78.52 92.91 4.71 Favored 'General case' 0 C--O 1.24 0.565 0 CA-C-O 121.424 0.631 . . . . 45.42 111.333 -178.176 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 134' ' ' VAL . . . . . 0.741 HG22 HG13 ' A' ' 97' ' ' VAL . 90.1 t -106.59 130.05 59.06 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.536 0 CA-C-N 115.239 -0.891 . . . . 75.02 110.738 176.816 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 13.8 mmt180 -95.26 102.57 14.39 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 108.596 -0.89 . . . . 72.41 108.596 176.407 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' A' ' 136' ' ' LEU . 40.1 mt -77.81 110.95 13.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.409 0.623 . . . . 50.04 110.547 178.688 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 137' ' ' VAL . . . . . 0.474 HG13 ' HA ' ' A' ' 100' ' ' ARG . 0.2 OUTLIER -126.37 115.6 42.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 115.079 -0.964 . . . . 74.42 110.086 -178.648 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 138' ' ' VAL . . . . . 0.508 HG12 HG21 ' A' ' 115' ' ' VAL . 3.4 m -93.3 138.96 19.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.772 -0.649 . . . . 53.11 109.816 179.485 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.315 -0.894 0 CA-C-N 115.971 -0.558 . . . . 73.13 110.807 -175.242 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 27.4 ptm . . . . . 0 C--O 1.235 0.317 0 CA-C-O 121.257 0.551 . . . . 72.42 110.358 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 36.9 t30 -100.48 86.24 3.12 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.264 -0.88 . . . . 61.35 109.527 177.731 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 3' ' ' ILE . . . . . 0.59 HG21 ' HB2' ' B' ' 6' ' ' LYS . 25.8 mm -66.24 118.67 9.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 115.83 -0.623 . . . . 72.42 111.029 178.711 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.728 ' HG ' ' HD3' ' A' ' 87' ' ' PRO . 90.1 mt -70.61 -44.26 67.63 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.424 -0.807 . . . . 75.25 109.842 177.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 5' ' ' TYR . . . . . . . . . . . . . 29.8 t80 -139.89 129.83 24.82 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.957 -0.565 . . . . 75.45 110.898 -178.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 6' ' ' LYS . . . . . 0.59 ' HB2' HG21 ' B' ' 3' ' ' ILE . 28.4 ttmt -137.85 130.06 29.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.985 0.421 . . . . 65.01 110.814 174.683 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 7' ' ' THR . . . . . 0.439 HG21 ' HB2' ' A' ' 48' ' ' GLN . 9.5 t -128.12 141.36 51.51 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.689 -0.687 . . . . 72.52 109.535 177.201 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 8' ' ' ALA . . . . . 0.482 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . . . -109.81 135.88 50.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.043 0.449 . . . . 64.22 110.879 -177.459 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -122.62 136.42 54.88 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.33 -0.619 . . . . 31.45 109.33 175.39 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 9.3 t -120.99 121.28 37.64 Favored 'General case' 0 N--CA 1.443 -0.81 0 N-CA-C 108.117 -1.068 . . . . 64.31 108.117 -177.837 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 70.4 m -119.13 113.47 20.96 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-N 115.559 -0.746 . . . . 74.14 110.661 -171.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 4.4 m -95.86 157.12 16.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 53.42 110.714 -177.535 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -93.09 65.71 1.91 Allowed Glycine 0 N--CA 1.452 -0.29 0 N-CA-C 110.826 -0.91 . . . . 71.12 110.826 174.624 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -56.49 -100.94 0.01 OUTLIER Glycine 0 C--N 1.339 0.702 0 C-N-CA 121.33 -0.462 . . . . 73.4 113.26 -176.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 4.4 mpt_? -88.82 -52.8 4.93 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 122.534 -0.392 . . . . 65.14 110.76 178.504 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 16' ' ' ASP . . . . . 0.491 ' HB2' ' HB3' ' B' ' 41' ' ' ALA . 10.0 t0 -125.84 -43.42 1.85 Allowed 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 121.407 0.623 . . . . 65.33 109.38 178.103 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 17' ' ' GLY . . . . . 0.52 ' O ' ' HG3' ' B' ' 29' ' ' LYS . . . -171.17 159.09 30.86 Favored Glycine 0 C--N 1.335 0.488 0 N-CA-C 110.479 -1.048 . . . . 74.22 110.479 160.337 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 18' ' ' ARG . . . . . 0.491 ' HA ' ' HA ' ' B' ' 29' ' ' LYS . 71.0 ttt180 -141.35 152.62 44.54 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 117.762 0.781 . . . . 74.4 110.524 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -145.82 124.03 12.22 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 116.259 -0.428 . . . . 64.21 110.325 179.509 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 27.9 m -132.73 112.43 11.98 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.329 -0.396 . . . . 75.11 110.433 -177.629 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 21' ' ' SER . . . . . 0.494 ' HB3' ' N ' ' B' ' 26' ' ' LEU . 31.3 t -68.42 108.0 3.09 Favored 'General case' 0 C--O 1.246 0.875 0 N-CA-C 107.47 -1.307 . . . . 74.21 107.47 175.38 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 22' ' ' HIS . . . . . . . . . . . . . 84.7 t60 -61.26 -14.88 29.53 Favored 'General case' 0 N--CA 1.468 0.431 0 O-C-N 125.626 1.829 . . . . 73.12 112.363 -166.493 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 23' ' ' ASP . . . . . 0.498 ' HB2' ' HG2' ' B' ' 25' ' ' LYS . 2.2 m-20 -80.19 12.38 2.91 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.465 -0.569 . . . . 63.54 109.465 176.559 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 29.5 mm-40 67.9 24.13 8.14 Favored 'General case' 0 CA--C 1.519 -0.247 0 CA-C-N 115.137 -0.938 . . . . 71.43 109.734 -179.08 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 25' ' ' LYS . . . . . 0.498 ' HG2' ' HB2' ' B' ' 23' ' ' ASP . 75.4 mmtt -82.68 -35.07 27.14 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 114.813 -1.085 . . . . 41.25 110.026 178.084 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 26' ' ' LEU . . . . . 0.494 ' N ' ' HB3' ' B' ' 21' ' ' SER . 58.5 tp -147.78 146.66 29.26 Favored 'General case' 0 C--N 1.345 0.406 0 C-N-CA 120.017 -0.673 . . . . 71.52 111.759 -174.777 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -153.47 97.76 2.17 Favored 'General case' 0 C--N 1.331 -0.21 0 O-C-N 123.701 0.626 . . . . 53.33 109.421 173.366 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 4.4 m -141.07 177.87 3.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 121.277 0.561 . . . . 74.12 111.46 179.687 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.52 ' HG3' ' O ' ' B' ' 17' ' ' GLY . 35.6 tttm -131.72 143.43 50.25 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 114.902 -1.045 . . . . 64.31 110.108 -177.724 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 30' ' ' LEU . . . . . 0.806 ' HA ' ' H ' ' B' ' 44' ' ' THR . 0.0 OUTLIER -127.98 176.98 7.19 Favored 'General case' 0 C--O 1.253 1.285 0 CA-C-O 121.116 0.484 . . . . 72.32 110.695 176.043 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 12.0 p -145.71 153.62 41.17 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.058 -0.974 . . . . 62.35 111.677 -174.745 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -93.32 129.18 39.83 Favored Pre-proline 0 C--O 1.236 0.387 0 CA-C-N 115.969 -0.56 . . . . 75.13 109.681 174.027 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 33' ' ' PRO . . . . . 0.454 ' HG3' ' ND2' ' B' ' 45' ' ' ASN . 74.0 Cg_exo -49.33 107.88 0.17 Allowed 'Trans proline' 0 C--N 1.352 0.757 0 C-N-CA 122.874 2.383 . . . . 71.3 112.495 -177.927 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 34' ' ' ARG . . . . . 0.537 ' HB2' ' HA3' ' B' ' 40' ' ' GLY . 62.6 ttt180 -64.84 -20.16 66.26 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 120.909 0.385 . . . . 71.43 110.872 -178.09 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 42.4 mm-40 -50.29 -27.87 6.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.579 -0.737 . . . . 72.42 111.482 175.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 41.7 mt -110.47 13.52 22.72 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.969 -0.559 . . . . 63.52 111.008 -173.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 94.75 59.73 1.12 Allowed Glycine 0 C--N 1.333 0.414 0 CA-C-N 115.925 -0.579 . . . . 51.22 112.774 178.773 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 38' ' ' GLY . . . . . 0.453 ' H ' ' HA ' ' B' ' 34' ' ' ARG . . . -128.72 -134.83 3.88 Favored Glycine 0 C--N 1.333 0.378 0 N-CA-C 111.705 -0.558 . . . . 64.12 111.705 179.149 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 39' ' ' ALA . . . . . 0.412 ' O ' ' HD2' ' B' ' 34' ' ' ARG . . . -118.34 -29.0 5.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.635 0.255 . . . . 71.25 110.831 179.742 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 40' ' ' GLY . . . . . 0.537 ' HA3' ' HB2' ' B' ' 34' ' ' ARG . . . 52.39 47.74 55.87 Favored Glycine 0 C--N 1.334 0.451 0 CA-C-N 116.164 -0.471 . . . . 53.13 113.487 177.734 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 41' ' ' ALA . . . . . 0.491 ' HB3' ' HB2' ' B' ' 16' ' ' ASP . . . -79.44 174.81 11.19 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.684 0.278 . . . . 45.11 110.796 178.024 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 42' ' ' GLU . . . . . 0.421 ' O ' ' HG3' ' B' ' 42' ' ' GLU . 10.7 pt-20 -68.41 80.56 0.25 Allowed 'General case' 0 CA--C 1.534 0.358 0 CA-C-O 121.662 0.744 . . . . 74.14 110.355 176.676 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -145.74 -170.62 14.66 Favored Glycine 0 C--N 1.316 -0.558 0 CA-C-N 115.607 -0.724 . . . . 72.12 112.449 175.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 44' ' ' THR . . . . . 0.806 ' H ' ' HA ' ' B' ' 30' ' ' LEU . 31.2 p -102.08 179.32 4.36 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.864 0.364 . . . . 35.03 111.029 179.069 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 45' ' ' ASN . . . . . 0.492 ' HB3' ' OE2' ' B' ' 47' ' ' GLU . 11.4 m120 -97.99 126.7 39.43 Favored Pre-proline 0 C--N 1.326 -0.448 0 CA-C-N 115.869 -0.605 . . . . 71.14 110.228 178.841 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 46' ' ' PRO . . . . . . . . . . . . . 29.0 Cg_endo -63.68 -50.13 3.57 Favored 'Trans proline' 0 C--O 1.241 0.648 0 C-N-CA 122.63 2.22 . . . . 54.41 112.539 -178.604 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 47' ' ' GLU . . . . . 0.492 ' OE2' ' HB3' ' B' ' 45' ' ' ASN . 4.1 pm0 -62.22 -32.91 73.64 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 120.951 0.405 . . . . 73.03 110.133 179.228 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -64.93 -45.69 84.77 Favored 'General case' 0 C--O 1.225 -0.193 0 CA-C-N 115.927 -0.578 . . . . 65.22 109.564 174.01 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 49' ' ' LEU . . . . . 0.562 HD12 ' HA3' ' A' ' 53' ' ' GLY . 2.5 tm? -55.35 -49.73 71.51 Favored 'General case' 0 C--O 1.237 0.444 0 CA-C-N 115.847 -0.615 . . . . 73.15 109.856 -178.422 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 43.9 t80 -63.24 -42.76 99.24 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 116.258 -0.428 . . . . 74.53 110.681 176.789 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 51' ' ' ALA . . . . . 0.403 ' HB2' HG11 ' B' ' 83' ' ' VAL . . . -56.29 -53.19 60.18 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-O 120.821 0.343 . . . . 63.22 111.691 179.762 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 52' ' ' ALA . . . . . 0.44 ' HB1' ' HB1' ' A' ' 19' ' ' ALA . . . -62.66 -51.98 65.11 Favored 'General case' 0 C--O 1.239 0.512 0 CA-C-O 121.004 0.43 . . . . 74.31 110.79 -179.66 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 53' ' ' GLY . . . . . 0.435 ' HA3' HD12 ' A' ' 49' ' ' LEU . . . -57.52 -41.95 93.71 Favored Glycine 0 C--O 1.226 -0.394 0 CA-C-N 115.668 -0.696 . . . . 73.22 112.207 -179.843 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -67.15 -50.22 62.04 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 122.854 0.461 . . . . 73.14 111.067 -179.734 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 34.5 p -57.95 -43.48 86.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.684 0.278 . . . . 71.55 110.5 -177.736 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -68.68 -44.33 74.26 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 116.104 -0.498 . . . . 72.32 110.527 176.339 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 57' ' ' CYS . . . . . . . . . . . . . 52.2 t -57.98 -35.91 71.87 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 115.878 -0.601 . . . . 72.4 110.92 -179.259 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 37.7 t80 -57.41 -33.94 68.39 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-O 121.109 0.481 . . . . 52.32 109.921 -178.03 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 7.4 tt -70.71 -44.39 66.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.618 -0.719 . . . . 64.41 109.449 177.865 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 60' ' ' SER . . . . . 0.407 ' O ' ' HB3' ' B' ' 63' ' ' LYS . 1.8 m -55.69 -46.26 77.65 Favored 'General case' 0 C--O 1.241 0.626 0 CA-C-O 121.432 0.634 . . . . 73.23 110.275 177.475 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -60.93 -49.5 77.19 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 115.436 -0.802 . . . . 44.1 110.045 177.822 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 62' ' ' MET . . . . . 0.406 ' HB3' HD11 ' B' ' 73' ' ' LEU . 71.3 mmm -64.11 -22.61 67.0 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.895 -0.593 . . . . 71.0 111.005 177.656 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 63' ' ' LYS . . . . . 0.407 ' HB3' ' O ' ' B' ' 60' ' ' SER . 27.0 ttpp -71.63 -44.69 63.92 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.676 -0.49 . . . . 72.03 109.676 176.475 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 39.9 t80 -63.37 -41.86 98.84 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-O 121.115 0.483 . . . . 73.11 110.044 174.045 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 41.7 t -59.36 -49.05 84.94 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.156 0 CA-C-N 115.671 -0.695 . . . . 75.05 110.645 177.025 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -56.61 -32.79 65.63 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.002 -0.545 . . . . 74.13 110.612 -178.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -67.12 -32.48 80.51 Favored Glycine 0 CA--C 1.518 0.245 0 CA-C-N 115.426 -0.806 . . . . 75.04 112.57 -178.686 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -97.87 -12.58 21.96 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 121.508 0.67 . . . . 64.5 109.637 -179.373 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -95.12 -0.11 53.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.237 -0.892 . . . . 65.21 110.733 177.689 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 2.4 mptp? 63.1 24.25 14.35 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 115.756 -0.656 . . . . 73.12 111.816 175.681 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -118.56 169.57 9.68 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.16 -0.473 . . . . 74.24 110.516 -178.667 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 17.3 p -126.42 141.08 52.02 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.986 -0.552 . . . . 74.12 109.985 176.551 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 73' ' ' LEU . . . . . 0.406 HD11 ' HB3' ' B' ' 62' ' ' MET . 95.9 mt -96.35 137.93 21.57 Favored Pre-proline 0 C--N 1.327 -0.403 0 CA-C-N 116.533 -0.303 . . . . 75.15 110.429 -179.1 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 74' ' ' PRO . . . . . 0.48 ' HD2' HD11 ' B' ' 103' ' ' LEU . 31.9 Cg_exo -60.38 131.62 39.42 Favored 'Trans proline' 0 C--N 1.349 0.56 0 C-N-CA 122.644 2.229 . . . . 62.01 112.064 177.359 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -77.21 -15.6 59.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.837 0.351 . . . . 71.53 111.888 -176.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -84.9 5.09 30.38 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-O 121.08 0.467 . . . . 60.22 111.295 -178.141 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 77' ' ' THR . . . . . 0.516 ' HA ' ' HD3' ' B' ' 104' ' ' PRO . 13.5 t -75.19 158.54 32.84 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-O 121.0 0.429 . . . . 73.25 111.469 -176.371 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 7.4 m -149.9 149.16 30.03 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 115.76 -0.655 . . . . 71.23 110.133 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 76.6 t -130.85 122.89 53.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 N-CA-C 109.801 -0.444 . . . . 54.24 109.801 175.01 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 80' ' ' THR . . . . . 0.541 ' HA ' ' HA ' ' A' ' 10' ' ' THR . 23.4 m -106.91 110.23 22.33 Favored 'General case' 0 C--N 1.32 -0.678 0 C-N-CA 120.87 -0.332 . . . . 72.42 110.845 -179.044 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -96.84 118.12 32.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.987 -0.551 . . . . 73.43 110.153 178.27 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 82' ' ' GLU . . . . . 0.476 ' HA ' ' HA ' ' A' ' 8' ' ' ALA . 32.8 tt0 -120.98 107.72 13.0 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.217 -0.66 . . . . 71.23 109.217 179.27 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 83' ' ' VAL . . . . . 0.418 ' O ' ' HG3' ' A' ' 6' ' ' LYS . 19.8 m -102.37 146.21 10.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.053 -0.521 . . . . 71.44 111.175 -172.68 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 84' ' ' GLY . . . . . 0.423 ' HA2' ' HA ' ' A' ' 6' ' ' LYS . . . -144.15 166.96 27.01 Favored Glycine 0 N--CA 1.445 -0.761 0 CA-C-N 115.827 -0.624 . . . . 52.45 112.269 -178.549 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -142.46 135.99 27.68 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 N-CA-C 109.047 -0.723 . . . . 73.1 109.047 -179.874 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -148.99 169.86 29.4 Favored Glycine 0 CA--C 1.519 0.332 0 O-C-N 123.867 0.73 . . . . 52.3 111.535 -179.061 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 87' ' ' PRO . . . . . 0.709 ' HD3' ' HG ' ' A' ' 4' ' ' LEU . 15.2 Cg_exo -68.4 132.66 26.17 Favored 'Trans proline' 0 C--O 1.237 0.472 0 C-N-CA 122.674 2.25 . . . . 61.3 111.985 -177.875 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 88' ' ' ASN . . . . . . . . . . . . . 53.3 t-20 -93.14 140.59 29.34 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.078 -0.712 . . . . 72.3 109.078 176.493 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -64.12 -15.5 59.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.092 0.472 . . . . 65.22 111.075 -178.653 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -67.31 -19.31 65.46 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 115.644 -0.707 . . . . 74.05 110.36 175.626 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.06 27.52 6.22 Favored Glycine 0 N--CA 1.454 -0.157 0 CA-C-N 115.741 -0.663 . . . . 72.2 112.194 -179.58 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . -142.66 -141.62 3.9 Favored Glycine 0 C--N 1.331 0.284 0 N-CA-C 111.404 -0.678 . . . . 70.13 111.404 178.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 93' ' ' PHE . . . . . 0.408 ' HE1' ' CZ ' ' A' ' 64' ' ' PHE . 17.7 m-85 -111.39 159.26 18.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.902 0.382 . . . . 73.12 110.595 177.895 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -140.68 135.56 31.76 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.721 -0.672 . . . . 62.21 109.458 177.494 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -97.2 148.92 22.59 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.125 0.488 . . . . 74.21 110.918 -177.707 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 96' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -134.8 110.48 9.22 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.106 -0.952 . . . . 73.53 109.054 179.784 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 97' ' ' VAL . . . . . 0.731 ' HB ' HG22 ' B' ' 134' ' ' VAL . 58.5 t -111.29 110.8 33.52 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.937 0 CA-C-O 120.716 0.293 . . . . 65.34 110.694 -178.783 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -96.68 117.25 30.6 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.418 -0.355 . . . . 74.42 110.152 178.384 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 81.5 mt -107.56 110.79 22.78 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.786 -0.45 . . . . 61.12 109.786 178.051 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 100' ' ' ARG . . . . . 0.479 ' HA ' ' O ' ' B' ' 137' ' ' VAL . 90.9 mtt180 -99.4 119.77 38.51 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.781 -0.452 . . . . 64.11 109.781 -177.701 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 101' ' ' VAL . . . . . . . . . . . . . 93.7 t -102.23 109.28 25.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 116.028 -0.533 . . . . 60.12 111.073 -175.058 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -108.89 101.4 10.5 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.958 -0.386 . . . . 53.32 109.958 175.535 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 103' ' ' LEU . . . . . 0.762 HD23 HD22 ' B' ' 106' ' ' LEU . 25.6 tp -112.79 117.23 46.8 Favored Pre-proline 0 C--N 1.326 -0.432 0 N-CA-C 108.862 -0.792 . . . . 72.24 108.862 177.914 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 104' ' ' PRO . . . . . 0.556 ' HD2' HD12 ' B' ' 103' ' ' LEU . 33.8 Cg_endo -63.78 141.41 78.51 Favored 'Trans proline' 0 C--O 1.237 0.455 0 C-N-CA 122.799 2.333 . . . . 74.24 112.685 -174.394 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 105' ' ' GLY . . . . . . . . . . . . . . . 69.58 8.47 60.06 Favored Glycine 0 N--CA 1.45 -0.427 0 CA-C-N 114.757 -1.11 . . . . 72.34 113.118 179.561 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 106' ' ' LEU . . . . . 0.762 HD22 HD23 ' B' ' 103' ' ' LEU . 25.5 tp -102.65 136.42 42.51 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-O 121.304 0.573 . . . . 60.53 111.129 -178.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 41.6 m-20 -75.29 142.81 43.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.216 -0.902 . . . . 63.12 110.578 176.172 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 108' ' ' ALA . . . . . 0.402 ' O ' ' HG2' ' B' ' 112' ' ' LYS . . . -61.1 -40.56 94.2 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.721 0.296 . . . . 34.32 110.942 177.671 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -56.57 -48.74 76.7 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.19 -0.459 . . . . 64.51 110.641 -179.739 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 110' ' ' ALA . . . . . 0.535 ' O ' ' HG ' ' B' ' 114' ' ' LEU . . . -70.97 -38.62 72.78 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.924 -0.58 . . . . 72.03 109.976 178.102 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 111' ' ' ALA . . . . . 0.431 ' O ' HG23 ' B' ' 115' ' ' VAL . . . -55.03 -39.67 69.39 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.58 -0.736 . . . . 64.14 110.981 -178.319 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 112' ' ' LYS . . . . . 0.402 ' HG2' ' O ' ' B' ' 108' ' ' ALA . 33.9 mmtp -51.94 -47.53 64.7 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 116.103 -0.499 . . . . 74.45 111.077 179.798 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 113' ' ' THR . . . . . . . . . . . . . 1.3 t -82.09 -34.11 29.49 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 116.376 -0.374 . . . . 72.03 110.94 -175.262 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 114' ' ' LEU . . . . . 0.535 ' HG ' ' O ' ' B' ' 110' ' ' ALA . 38.0 mt -62.99 -44.51 95.83 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-O 121.19 0.519 . . . . 70.23 109.994 179.198 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 115' ' ' VAL . . . . . 0.607 HG21 HG12 ' B' ' 138' ' ' VAL . 73.6 t -62.32 -35.1 67.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 115.444 -0.798 . . . . 63.55 110.293 177.427 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -64.01 -61.25 2.39 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 116.155 -0.475 . . . . 75.43 110.897 179.778 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 117' ' ' ARG . . . . . . . . . . . . . 7.5 ptm85 -60.18 -40.35 89.7 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.29 -0.413 . . . . 70.2 111.007 -177.02 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -59.15 -46.45 88.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.243 0.545 . . . . 61.11 110.285 175.726 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 47.3 m80 -80.16 4.12 18.42 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.911 -0.586 . . . . 74.31 111.592 179.517 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 16.3 t-80 -101.86 -20.24 14.97 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.544 -0.298 . . . . 61.52 110.724 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 35.2 m -106.44 -29.92 2.66 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.417 0 N-CA-C 112.383 0.512 . . . . 63.42 112.383 -176.475 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 122' ' ' CYS . . . . . 0.489 ' HA ' ' HD3' ' B' ' 123' ' ' PRO . 75.6 m -67.45 129.93 93.49 Favored Pre-proline 0 CA--C 1.539 0.553 0 N-CA-C 111.665 0.246 . . . . 74.53 111.665 -175.914 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 123' ' ' PRO . . . . . 0.489 ' HD3' ' HA ' ' B' ' 122' ' ' CYS . 36.7 Cg_exo -62.11 -26.06 77.8 Favored 'Trans proline' 0 C--N 1.356 0.944 0 C-N-CA 123.569 2.846 . . . . 65.25 113.541 -176.659 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 124' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 -95.36 13.93 24.14 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-O 120.656 0.265 . . . . 65.35 110.312 176.498 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 125' ' ' SER . . . . . 0.533 ' O ' HG22 ' B' ' 128' ' ' THR . 26.8 t -123.38 -41.3 2.3 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 112.094 0.405 . . . . 64.23 112.094 -175.715 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 126' ' ' ASN . . . . . . . . . . . . . 25.1 p-10 -55.0 -43.85 74.0 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 121.245 0.545 . . . . 74.24 109.832 179.188 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 127' ' ' ALA . . . . . 0.639 ' O ' ' HB3' ' B' ' 131' ' ' ASN . . . -87.71 6.28 35.69 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.537 -0.756 . . . . 65.3 111.857 -178.691 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 128' ' ' THR . . . . . 0.533 HG22 ' O ' ' B' ' 125' ' ' SER . 0.9 OUTLIER -105.21 -22.5 13.06 Favored 'General case' 0 C--O 1.225 -0.213 0 N-CA-C 109.344 -0.614 . . . . 55.14 109.344 178.601 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 129' ' ' ARG . . . . . 0.439 ' HG2' ' O ' ' B' ' 125' ' ' SER . 16.9 ptm180 -99.87 -47.26 5.1 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-O 121.607 0.718 . . . . 75.21 109.21 -178.011 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 130' ' ' ASN . . . . . 0.429 ' N ' ' HG3' ' B' ' 129' ' ' ARG . 85.3 m-20 -79.54 -26.59 41.4 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 114.788 -1.096 . . . . 74.14 111.761 -175.433 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 131' ' ' ASN . . . . . 0.715 HD22 HG13 ' B' ' 132' ' ' VAL . 7.5 t30 -100.57 -37.28 8.85 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 116.129 -0.487 . . . . 75.43 111.695 -173.377 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 132' ' ' VAL . . . . . 0.715 HG13 HD22 ' B' ' 131' ' ' ASN . 15.5 m -131.4 177.85 6.4 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.656 0 CA-C-O 120.549 0.214 . . . . 52.13 111.061 -177.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 133' ' ' ALA . . . . . . . . . . . . . . . -92.0 99.9 12.65 Favored 'General case' 0 C--O 1.24 0.589 0 CA-C-O 121.488 0.661 . . . . 72.23 111.877 -173.464 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 134' ' ' VAL . . . . . 0.731 HG22 ' HB ' ' B' ' 97' ' ' VAL . 83.1 t -124.25 108.48 20.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.063 -0.971 . . . . 61.1 110.465 176.58 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 2.7 ttt85 -77.77 108.57 11.09 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.356 -0.838 . . . . 74.32 110.391 178.165 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 78.9 mt -81.76 119.41 23.84 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.033 -0.53 . . . . 72.41 110.3 176.195 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 137' ' ' VAL . . . . . 0.479 ' O ' ' HA ' ' B' ' 100' ' ' ARG . 0.1 OUTLIER -127.71 121.88 57.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.64 -0.709 . . . . 72.22 109.656 -178.95 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 138' ' ' VAL . . . . . 0.607 HG12 HG21 ' B' ' 115' ' ' VAL . 2.4 m -97.01 138.21 22.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 N-CA-C 109.383 -0.599 . . . . 70.52 109.383 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 139' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.162 0 CA-C-O 118.599 -0.715 . . . . 71.35 110.878 -175.566 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.6 ptm . . . . . 0 N--CA 1.484 1.231 0 CA-C-O 120.874 0.369 . . . . 71.43 110.071 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 47.5 t30 -98.62 86.72 3.63 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.045 -0.525 . . . . 75.52 109.871 178.535 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.526 HG21 ' HB2' ' A' ' 6' ' ' LYS . 28.8 mm -64.32 116.4 3.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.978 -0.556 . . . . 51.02 110.927 177.527 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.675 ' HG ' ' HD3' ' B' ' 87' ' ' PRO . 88.5 mt -75.74 -43.62 45.85 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.453 -0.794 . . . . 74.21 110.069 178.866 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 46.9 t80 -138.85 130.7 27.78 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.979 -0.555 . . . . 54.43 110.063 -176.491 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.526 ' HB2' HG21 ' A' ' 3' ' ' ILE . 28.4 ttmt -143.78 131.22 21.01 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.137 0.494 . . . . 62.42 111.064 176.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 5.8 t -121.36 166.3 14.27 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 114.995 -1.002 . . . . 73.02 109.27 175.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.404 ' HB2' ' HG3' ' B' ' 82' ' ' GLU . . . -136.96 147.68 46.48 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.707 0.289 . . . . 64.34 110.78 -175.006 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -139.85 124.06 17.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.247 -0.433 . . . . 65.14 110.585 179.488 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 7.8 t -96.79 130.82 43.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.321 -0.4 . . . . 73.43 110.029 179.185 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 10.9 p -123.14 138.05 54.75 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.238 0.542 . . . . 71.32 111.626 -176.669 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.421 HG22 ' N ' ' A' ' 13' ' ' GLY . 6.7 m -109.59 167.28 10.25 Favored 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 123.317 0.647 . . . . 72.12 109.911 177.288 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.421 ' N ' HG22 ' A' ' 12' ' ' THR . . . -78.32 5.73 54.21 Favored Glycine 0 CA--C 1.526 0.731 0 C-N-CA 120.923 -0.656 . . . . 62.44 113.553 176.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 30.05 -129.6 0.13 Allowed Glycine 0 C--N 1.344 0.98 0 O-C-N 123.646 0.262 . . . . 62.02 113.364 -174.646 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 31.8 mmt180 -88.8 -38.23 14.8 Favored 'General case' 0 C--O 1.236 0.368 0 N-CA-C 107.88 -1.156 . . . . 73.04 107.88 164.769 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.531 ' HB3' ' HA ' ' A' ' 31' ' ' SER . 24.9 t0 -125.42 -42.66 1.95 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 114.991 -1.004 . . . . 74.22 109.608 173.544 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.446 ' O ' ' HG3' ' A' ' 29' ' ' LYS . . . -165.97 163.65 36.91 Favored Glycine 0 C--N 1.342 0.892 0 C-N-CA 120.62 -0.8 . . . . 73.12 111.352 169.32 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.635 ' HA ' ' HA ' ' A' ' 29' ' ' LYS . 51.9 ttt180 -149.49 148.18 29.1 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.379 -0.6 . . . . 73.24 109.379 177.585 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -142.1 124.0 15.27 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.871 0.367 . . . . 71.12 110.267 -175.756 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 25.6 m -130.68 111.31 12.07 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.945 -0.571 . . . . 63.53 110.026 179.512 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.493 ' HB2' ' HB3' ' A' ' 26' ' ' LEU . 11.4 t -74.05 114.45 12.39 Favored 'General case' 0 C--O 1.246 0.887 0 N-CA-C 107.709 -1.219 . . . . 62.3 107.709 177.853 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.415 ' C ' ' H ' ' A' ' 24' ' ' GLN . 9.7 t60 -53.37 -33.99 55.82 Favored 'General case' 0 N--CA 1.474 0.773 0 O-C-N 126.155 2.159 . . . . 71.44 112.868 -164.789 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 26.6 p-10 -80.48 18.67 0.88 Allowed 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 121.512 0.672 . . . . 73.43 110.07 -178.14 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.415 ' H ' ' C ' ' A' ' 22' ' ' HIS . 29.9 mm-40 70.65 23.89 4.53 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 114.734 -1.121 . . . . 72.53 110.645 173.186 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.45 ' HA ' ' HD3' ' A' ' 25' ' ' LYS . 69.6 mmtt -84.7 -26.78 27.48 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.673 -0.694 . . . . 73.44 110.447 175.545 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.493 ' HB3' ' HB2' ' A' ' 21' ' ' SER . 58.3 tp -144.54 145.63 31.93 Favored 'General case' 0 C--O 1.224 -0.253 0 C-N-CA 119.37 -0.932 . . . . 74.42 111.882 -178.685 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -160.46 92.77 0.99 Allowed 'General case' 0 N--CA 1.466 0.328 0 O-C-N 123.806 0.691 . . . . 74.13 109.859 173.031 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.578 ' O ' ' HG3' ' A' ' 18' ' ' ARG . 4.1 m -148.78 177.04 0.92 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.535 0 CA-C-O 121.117 0.484 . . . . 62.12 111.626 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.635 ' HA ' ' HA ' ' A' ' 18' ' ' ARG . 22.4 ttpt -125.43 141.62 51.96 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.086 -0.961 . . . . 62.42 109.669 178.242 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.803 ' HA ' ' H ' ' A' ' 44' ' ' THR . 0.0 OUTLIER -122.87 154.64 38.02 Favored 'General case' 0 C--O 1.253 1.263 0 CA-C-O 121.283 0.563 . . . . 64.12 110.607 176.253 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.531 ' HA ' ' HB3' ' A' ' 16' ' ' ASP . 50.0 m -163.05 126.69 2.85 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 114.779 -1.1 . . . . 75.34 109.85 -173.738 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.41 132.72 95.23 Favored Pre-proline 0 C--O 1.237 0.419 0 N-CA-C 109.774 -0.454 . . . . 52.21 109.774 175.134 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_endo -75.54 34.55 0.41 Allowed 'Trans proline' 0 CA--C 1.533 0.444 0 C-N-CA 123.182 2.588 . . . . 73.33 112.467 -176.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.488 ' HA ' ' H ' ' A' ' 38' ' ' GLY . 5.7 ttt180 52.35 -92.17 0.03 OUTLIER 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 123.308 0.643 . . . . 50.12 111.492 -174.259 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.419 ' HB2' HD22 ' A' ' 36' ' ' LEU . 33.4 mm-40 56.34 -73.26 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.604 0 O-C-N 123.728 0.643 . . . . 75.14 112.348 178.513 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.475 ' N ' ' O ' ' A' ' 34' ' ' ARG . 1.2 mm? -85.32 -15.62 42.72 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.867 0.365 . . . . 63.44 110.022 -176.012 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 128.26 43.84 0.22 Allowed Glycine 0 C--N 1.333 0.376 0 CA-C-N 115.788 -0.642 . . . . 72.22 112.438 179.58 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.488 ' H ' ' HA ' ' A' ' 34' ' ' ARG . . . -94.6 -131.27 6.24 Favored Glycine 0 CA--C 1.522 0.516 0 C-N-CA 121.329 -0.463 . . . . 73.44 112.359 -179.176 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -99.04 -49.6 4.46 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-O 120.976 0.417 . . . . 63.22 110.771 -178.444 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 82.98 88.85 0.72 Allowed Glycine 0 N--CA 1.451 -0.335 0 CA-C-N 115.831 -0.622 . . . . 45.53 112.707 177.863 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -156.81 170.88 21.46 Favored 'General case' 0 C--O 1.234 0.277 0 N-CA-C 110.304 -0.258 . . . . 44.21 110.304 179.007 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -83.09 72.95 10.1 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-O 121.872 0.844 . . . . 71.23 110.853 179.601 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -132.57 -170.4 12.5 Favored Glycine 0 C--N 1.318 -0.437 0 CA-C-N 114.856 -1.065 . . . . 55.55 111.081 175.875 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.803 ' H ' ' HA ' ' A' ' 30' ' ' LEU . 38.8 m -93.05 140.71 29.2 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 110.056 -0.35 . . . . 74.01 110.056 177.791 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.661 ' HB2' ' HB3' ' A' ' 48' ' ' GLN . 1.2 m-20 -68.25 144.51 96.78 Favored Pre-proline 0 C--N 1.326 -0.428 0 CA-C-N 116.213 -0.449 . . . . 72.33 109.974 177.463 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_exo -60.63 -60.53 0.25 Allowed 'Trans proline' 0 CA--C 1.535 0.572 0 C-N-CA 122.964 2.442 . . . . 63.04 112.838 -177.374 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -65.97 -30.65 71.24 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 120.988 0.423 . . . . 62.13 110.499 -177.121 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.661 ' HB3' ' HB2' ' A' ' 45' ' ' ASN . 27.7 tt0 -65.63 -38.63 89.94 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-N 115.777 -0.647 . . . . 72.35 110.352 175.25 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -64.99 -51.06 63.76 Favored 'General case' 0 C--O 1.234 0.285 0 N-CA-C 109.144 -0.687 . . . . 71.11 109.144 178.277 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 36.4 t80 -58.21 -43.26 87.57 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-N 116.039 -0.528 . . . . 64.45 110.581 177.656 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.471 ' HB2' HG11 ' A' ' 83' ' ' VAL . . . -53.09 -53.15 54.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.114 -0.494 . . . . 52.03 110.888 177.199 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.64 -43.91 97.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.751 -0.659 . . . . 51.43 111.102 179.635 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -65.05 -42.94 96.42 Favored Glycine 0 C--N 1.332 0.309 0 CA-C-N 116.129 -0.487 . . . . 45.35 112.642 -178.448 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.494 ' CE2' HD11 ' A' ' 99' ' ' LEU . 1.9 t80 -69.32 -46.93 65.93 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.962 -0.384 . . . . 71.4 109.962 -179.726 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.5 t -57.19 -47.17 81.92 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.413 -0.588 . . . . 50.31 109.413 179.547 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.567 ' HB2' ' HB2' ' B' ' 19' ' ' ALA . . . -64.75 -40.22 94.94 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-N 115.846 -0.616 . . . . 72.41 110.946 177.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 44.5 t -57.04 -37.3 71.58 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 116.073 -0.512 . . . . 74.4 110.115 177.752 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -60.84 -35.1 75.69 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 115.748 -0.66 . . . . 64.12 109.977 179.677 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.421 ' O ' ' HD3' ' A' ' 63' ' ' LYS . 4.4 mm? -75.29 -0.44 19.64 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 115.974 -0.557 . . . . 74.12 111.903 -179.752 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 21.7 t -114.16 -46.08 3.02 Favored 'General case' 0 C--O 1.243 0.72 0 N-CA-C 109.282 -0.636 . . . . 74.4 109.282 175.419 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.453 ' O ' HG23 ' A' ' 65' ' ' VAL . . . -53.24 -45.96 68.95 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 115.505 -0.771 . . . . 64.15 110.204 175.393 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' MET . . . . . 0.479 ' SD ' ' HB1' ' A' ' 118' ' ' ALA . 80.8 mmm -61.32 -32.27 72.13 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.312 -0.404 . . . . 61.32 111.347 178.628 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.421 ' HD3' ' O ' ' A' ' 59' ' ' LEU . 1.4 mptm? -64.67 -51.78 60.75 Favored 'General case' 0 C--O 1.234 0.25 0 N-CA-C 109.82 -0.437 . . . . 62.32 109.82 176.687 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 41.2 t80 -62.44 -41.89 99.07 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 116.293 -0.412 . . . . 70.35 110.384 179.357 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.453 HG23 ' O ' ' A' ' 61' ' ' ALA . 55.8 t -58.39 -47.43 87.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 51.41 110.422 177.222 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -61.14 -29.27 69.68 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.094 0.474 . . . . 55.45 110.129 178.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -70.93 -34.43 65.4 Favored Glycine 0 N--CA 1.45 -0.373 0 CA-C-N 115.356 -0.838 . . . . 65.01 112.33 -179.162 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -91.56 -20.54 21.57 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 121.408 0.623 . . . . 73.33 109.629 -178.026 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 10.2 m-80 -90.72 1.42 56.87 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 114.939 -1.028 . . . . 73.35 110.275 178.32 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.0 mptp? 53.63 40.62 31.68 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 115.596 -0.729 . . . . 70.5 110.866 175.749 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -129.81 169.12 15.56 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 114.878 -1.055 . . . . 65.11 110.367 178.879 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 14.7 p -126.13 134.09 51.43 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.202 -0.454 . . . . 71.13 110.225 177.024 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.405 ' HA ' ' HD3' ' A' ' 74' ' ' PRO . 0.2 OUTLIER -109.48 142.0 24.77 Favored Pre-proline 0 N--CA 1.465 0.305 0 CA-C-N 116.714 -0.221 . . . . 63.13 110.971 178.225 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 73' ' ' LEU . 54.3 Cg_exo -54.59 139.21 75.97 Favored 'Trans proline' 0 C--N 1.351 0.673 0 C-N-CA 123.194 2.596 . . . . 75.32 112.876 -179.548 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -77.35 -6.16 52.27 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 121.221 0.534 . . . . 74.43 111.167 179.386 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -88.51 4.14 47.75 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.626 -0.715 . . . . 72.44 111.22 -177.352 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.402 HG22 ' O ' ' A' ' 74' ' ' PRO . 10.3 t -76.53 154.24 34.74 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.841 -0.618 . . . . 73.42 111.576 -176.676 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 53.6 m -149.09 150.12 32.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.635 -0.711 . . . . 65.01 110.145 -179.573 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 72.8 t -130.1 130.96 66.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 N-CA-C 108.943 -0.762 . . . . 73.54 108.943 177.743 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.53 ' HA ' ' HA ' ' B' ' 10' ' ' THR . 11.8 m -114.85 115.77 27.5 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.754 0.312 . . . . 61.0 111.023 -178.122 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -93.34 105.73 17.77 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 116.03 -0.532 . . . . 75.0 110.626 177.654 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.491 ' HG2' ' HD3' ' B' ' 6' ' ' LYS . 36.9 tt0 -101.86 108.7 20.26 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.485 -0.561 . . . . 74.0 109.485 178.271 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.471 HG11 ' HB2' ' A' ' 51' ' ' ALA . 19.2 m -112.4 146.75 16.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.97 0.414 . . . . 74.25 111.335 -173.601 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.422 ' HA2' ' HA ' ' B' ' 6' ' ' LYS . . . -143.41 167.15 26.62 Favored Glycine 0 N--CA 1.445 -0.72 0 CA-C-N 115.813 -0.631 . . . . 64.22 112.088 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.519 HD11 ' CD2' ' A' ' 93' ' ' PHE . 0.0 OUTLIER -138.2 132.85 43.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 N-CA-C 109.111 -0.7 . . . . 71.32 109.111 -177.952 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -141.68 169.98 24.98 Favored Glycine 0 CA--C 1.516 0.123 0 O-C-N 124.079 0.862 . . . . 64.2 110.955 179.602 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.706 ' HD3' ' HG ' ' B' ' 4' ' ' LEU . 60.0 Cg_endo -80.82 134.31 9.56 Favored 'Trans proline' 0 N--CA 1.455 -0.747 0 C-N-CA 122.174 1.916 . . . . 75.13 112.169 -177.457 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ASN . . . . . 0.45 ' HB2' ' HB2' ' A' ' 94' ' ' ALA . 51.4 t30 -86.08 150.61 24.32 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.586 -0.734 . . . . 63.43 110.014 -179.884 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -62.31 -19.87 63.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.113 -0.494 . . . . 74.31 111.548 -177.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -67.28 -23.2 65.65 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 116.174 -0.467 . . . . 62.35 111.044 177.251 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 103.99 35.06 3.54 Favored Glycine 0 N--CA 1.455 -0.095 0 N-CA-C 111.272 -0.731 . . . . 52.42 111.272 -175.335 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -144.27 -144.35 4.18 Favored Glycine 0 N--CA 1.45 -0.397 0 N-CA-C 111.17 -0.772 . . . . 74.12 111.17 -179.756 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.519 ' CD2' HD11 ' A' ' 85' ' ' ILE . 42.1 m-85 -109.79 160.99 15.87 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 117.116 0.458 . . . . 72.25 110.772 179.465 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.45 ' HB2' ' HB2' ' A' ' 88' ' ' ASN . . . -145.06 138.01 26.4 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.264 -0.88 . . . . 73.43 108.929 177.539 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -103.71 140.95 36.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.14 0.495 . . . . 75.45 111.406 -176.609 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.423 ' HB3' HD11 ' B' ' 3' ' ' ILE . 15.3 t70 -130.26 126.09 36.43 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 114.806 -1.088 . . . . 62.1 108.763 -179.484 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.793 HG13 HG22 ' A' ' 134' ' ' VAL . 0.7 OUTLIER -132.54 119.29 38.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-O 121.621 0.724 . . . . 41.42 111.499 -178.883 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.446 ' CD ' HH21 ' A' ' 135' ' ' ARG . 29.9 tt0 -108.89 130.46 55.43 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.491 -0.777 . . . . 51.52 110.128 -179.536 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.494 HD11 ' CE2' ' A' ' 54' ' ' TYR . 94.9 mt -114.19 117.47 31.29 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.421 -0.354 . . . . 73.33 110.794 -176.125 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.547 ' HA ' ' O ' ' A' ' 137' ' ' VAL . 35.7 ttt180 -99.53 117.53 34.13 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.303 -0.628 . . . . 73.43 109.303 177.216 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 46.8 t -105.71 98.37 6.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 N-CA-C 110.284 -0.265 . . . . 72.23 110.284 -174.623 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -92.0 101.52 14.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.902 0.382 . . . . 73.1 110.798 -178.104 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 6.1 mt -111.64 117.5 48.7 Favored Pre-proline 0 C--N 1.326 -0.428 0 CA-C-N 115.928 -0.578 . . . . 73.31 109.662 176.226 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 68.0 Cg_endo -73.84 150.04 43.54 Favored 'Trans proline' 0 N--CA 1.462 -0.36 0 C-N-CA 122.764 2.309 . . . . 73.52 112.702 -177.159 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 68.97 15.16 69.05 Favored Glycine 0 CA--C 1.522 0.485 0 CA-C-N 115.391 -0.822 . . . . 54.45 112.955 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.472 HD21 ' HA ' ' A' ' 111' ' ' ALA . 40.1 tp -116.47 143.15 45.94 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-O 120.823 0.344 . . . . 65.03 111.222 -174.074 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -77.57 163.48 26.23 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 116.057 -0.519 . . . . 72.42 110.448 176.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.5 ' O ' ' HG3' ' A' ' 112' ' ' LYS . . . -68.29 -44.75 74.81 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.65 -0.705 . . . . 74.35 109.834 169.812 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -59.87 -48.13 82.95 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 115.562 -0.744 . . . . 64.13 110.939 -177.203 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.554 ' O ' HG22 ' A' ' 113' ' ' THR . . . -70.74 -42.57 70.32 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.897 -0.592 . . . . 73.25 110.114 178.702 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 111' ' ' ALA . . . . . 0.472 ' HA ' HD21 ' A' ' 106' ' ' LEU . . . -54.46 -39.87 67.88 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.157 -0.474 . . . . 54.13 111.613 179.761 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.5 ' HG3' ' O ' ' A' ' 108' ' ' ALA . 68.5 mttm -53.33 -42.78 67.09 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 116.699 -0.228 . . . . 74.23 111.345 -179.849 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 113' ' ' THR . . . . . 0.554 HG22 ' O ' ' A' ' 110' ' ' ALA . 2.8 t -81.13 -38.63 26.89 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 120.923 0.392 . . . . 74.22 110.659 -177.6 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.414 ' HG ' ' O ' ' A' ' 110' ' ' ALA . 49.0 mt -64.58 -43.74 92.88 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.301 -0.409 . . . . 61.01 110.756 -177.904 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 92.1 t -66.84 -32.64 58.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.123 -0.49 . . . . 72.22 110.225 177.415 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' ASP . . . . . 0.416 ' O ' ' HB2' ' A' ' 120' ' ' HIS . 21.2 t70 -62.33 -61.5 2.41 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 116.395 -0.366 . . . . 63.5 110.11 178.233 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 14.6 ptm180 -59.14 -42.02 89.69 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-N 115.748 -0.66 . . . . 65.24 110.983 -178.034 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.479 ' HB1' ' SD ' ' A' ' 62' ' ' MET . . . -60.4 -46.64 89.27 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 121.307 0.575 . . . . 63.41 110.425 177.49 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 119' ' ' HIS . . . . . 0.482 ' HE1' ' HB3' ' A' ' 129' ' ' ARG . 48.4 t-80 -85.13 9.87 13.74 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 115.706 -0.679 . . . . 74.13 110.414 -179.034 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 120' ' ' HIS . . . . . 0.416 ' HB2' ' O ' ' A' ' 116' ' ' ASP . 27.1 t-80 -108.63 -36.12 6.26 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 116.119 -0.491 . . . . 75.14 110.439 178.28 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 33.3 m -82.2 -34.84 12.61 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.397 0 N-CA-C 112.23 0.455 . . . . 74.54 112.23 -176.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 76.6 m -69.13 131.27 90.7 Favored Pre-proline 0 CA--C 1.536 0.416 0 CA-C-N 116.799 -0.182 . . . . 72.12 111.055 -176.855 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 13.0 Cg_endo -55.19 -51.33 10.4 Favored 'Trans proline' 0 C--N 1.355 0.901 0 C-N-CA 123.065 2.51 . . . . 74.45 112.37 -177.469 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 22.7 m-85 -54.03 -43.53 70.23 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 121.181 0.515 . . . . 65.44 109.722 178.008 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 125' ' ' SER . . . . . 0.514 ' O ' HG22 ' A' ' 128' ' ' THR . 70.3 m -59.24 -40.76 86.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.213 -0.903 . . . . 62.44 112.183 -174.398 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 93.6 m-20 -72.25 -48.65 41.06 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.299 0.571 . . . . 73.42 110.094 179.266 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 127' ' ' ALA . . . . . 0.411 ' O ' ' HB3' ' A' ' 131' ' ' ASN . . . -70.16 -1.74 11.03 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.689 -0.687 . . . . 54.1 111.927 -179.154 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 128' ' ' THR . . . . . 0.578 HG23 HG21 ' A' ' 134' ' ' VAL . 2.6 t -112.99 -21.01 11.32 Favored 'General case' 0 N--CA 1.452 -0.33 0 N-CA-C 109.978 -0.378 . . . . 73.21 109.978 -178.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 129' ' ' ARG . . . . . 0.482 ' HB3' ' HE1' ' A' ' 119' ' ' HIS . 17.7 ptt180 -101.64 -47.7 4.55 Favored 'General case' 0 CA--C 1.517 -0.315 0 N-CA-C 109.183 -0.673 . . . . 72.04 109.183 -176.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 130' ' ' ASN . . . . . 0.408 ' N ' ' HG3' ' A' ' 129' ' ' ARG . 15.8 m120 -78.61 -36.57 43.99 Favored 'General case' 0 N--CA 1.446 -0.669 0 CA-C-N 115.284 -0.871 . . . . 71.52 110.192 -177.888 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 131' ' ' ASN . . . . . 0.411 ' HB3' ' O ' ' A' ' 127' ' ' ALA . 2.3 t-20 -96.84 -22.91 16.64 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 115.878 -0.601 . . . . 72.12 111.718 -175.733 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 132' ' ' VAL . . . . . 0.629 HG12 ' H ' ' A' ' 133' ' ' ALA . 11.5 t -132.77 175.2 11.93 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.646 0 N-CA-C 109.938 -0.393 . . . . 70.22 109.938 -174.057 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 133' ' ' ALA . . . . . 0.629 ' H ' HG12 ' A' ' 132' ' ' VAL . . . -99.17 95.85 7.37 Favored 'General case' 0 C--O 1.243 0.756 0 CA-C-O 121.572 0.701 . . . . 45.42 112.202 -175.925 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 134' ' ' VAL . . . . . 0.793 HG22 HG13 ' A' ' 97' ' ' VAL . 95.1 t -116.35 129.35 72.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 114.888 -1.051 . . . . 75.02 111.025 176.117 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 135' ' ' ARG . . . . . 0.446 HH21 ' CD ' ' A' ' 98' ' ' GLU . 1.9 tmm_? -105.55 123.38 47.81 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 108.668 -0.864 . . . . 72.41 108.668 175.591 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.447 HD23 ' HB2' ' A' ' 99' ' ' LEU . 39.0 mt -94.57 133.82 37.79 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.265 0.555 . . . . 50.04 111.211 -177.282 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 137' ' ' VAL . . . . . 0.547 ' O ' ' HA ' ' A' ' 100' ' ' ARG . 0.1 OUTLIER -133.46 115.23 22.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.326 -0.852 . . . . 74.42 109.242 175.291 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 2.5 m -88.38 138.71 18.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 N-CA-C 109.834 -0.432 . . . . 53.11 109.834 -177.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.321 -0.673 0 CA-C-N 116.264 -0.425 . . . . 73.13 110.885 -176.124 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.456 ' HE3' HD13 ' B' ' 3' ' ' ILE . 15.9 ptt? . . . . . 0 C--O 1.234 0.262 0 CA-C-O 120.927 0.394 . . . . 72.42 111.0 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 41.8 t30 -72.94 76.0 1.18 Allowed 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 115.889 -0.596 . . . . 61.35 110.604 176.145 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 3' ' ' ILE . . . . . 0.543 HG21 ' HB2' ' B' ' 6' ' ' LYS . 33.9 mm -73.42 132.7 33.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.901 -0.59 . . . . 72.42 111.82 175.753 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.706 ' HG ' ' HD3' ' A' ' 87' ' ' PRO . 87.6 mt -91.39 -44.27 9.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.465 -0.789 . . . . 75.25 110.039 174.768 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 5' ' ' TYR . . . . . . . . . . . . . 35.0 t80 -136.05 129.52 32.08 Favored 'General case' 0 C--O 1.224 -0.282 0 CA-C-N 116.026 -0.534 . . . . 75.45 110.24 -178.662 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 6' ' ' LYS . . . . . 0.543 ' HB2' HG21 ' B' ' 3' ' ' ILE . 30.4 ttmt -137.52 141.23 41.45 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.087 0.47 . . . . 65.01 111.148 177.676 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 10.1 t -137.64 170.55 15.88 Favored 'General case' 0 C--O 1.237 0.439 0 CA-C-N 115.453 -0.794 . . . . 72.52 109.279 177.441 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -133.46 145.5 50.29 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.155 0.502 . . . . 64.22 111.178 -176.054 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 9' ' ' ALA . . . . . 0.432 ' HA ' ' H ' ' B' ' 22' ' ' HIS . . . -141.37 118.29 11.16 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.771 -0.65 . . . . 31.45 109.481 176.225 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 10' ' ' THR . . . . . 0.53 ' HA ' ' HA ' ' A' ' 80' ' ' THR . 12.5 t -101.13 156.21 17.55 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.32 -0.4 . . . . 64.31 110.083 -175.42 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 58.9 p -137.74 113.43 9.63 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.774 0.321 . . . . 74.14 110.819 -177.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 4.9 m -102.84 160.54 14.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.043 -0.526 . . . . 53.42 110.607 -177.874 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -77.64 72.8 2.15 Favored Glycine 0 CA--C 1.521 0.436 0 C-N-CA 120.976 -0.631 . . . . 71.12 111.917 173.83 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -57.52 -92.74 0.01 OUTLIER Glycine 0 C--N 1.34 0.771 0 C-N-CA 121.74 -0.267 . . . . 73.4 112.642 179.595 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 12.3 tpt180 -88.62 -55.56 3.66 Favored 'General case' 0 N--CA 1.462 0.15 0 N-CA-C 108.28 -1.007 . . . . 65.14 108.28 172.635 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 16' ' ' ASP . . . . . 0.401 ' O ' ' NZ ' ' A' ' 63' ' ' LYS . 24.1 t0 -126.2 -41.95 1.88 Allowed 'General case' 0 C--O 1.236 0.349 0 CA-C-N 114.639 -1.164 . . . . 65.33 108.23 167.383 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -150.79 151.38 23.39 Favored Glycine 0 N--CA 1.446 -0.648 0 CA-C-N 115.623 -0.717 . . . . 74.22 111.769 171.642 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 18' ' ' ARG . . . . . 0.51 ' HG3' ' O ' ' B' ' 28' ' ' VAL . 16.3 ttp180 -134.5 145.72 49.05 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 108.71 -0.848 . . . . 74.4 108.71 175.029 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 19' ' ' ALA . . . . . 0.567 ' HB2' ' HB2' ' A' ' 56' ' ' ALA . . . -127.65 123.62 36.01 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 108.808 -0.812 . . . . 64.21 108.808 177.367 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 23.8 m -137.52 113.01 9.4 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 116.274 -0.421 . . . . 75.11 110.649 -172.706 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 21' ' ' SER . . . . . 0.525 ' HB3' ' N ' ' B' ' 26' ' ' LEU . 43.7 t -69.82 111.38 5.52 Favored 'General case' 0 C--O 1.246 0.9 0 N-CA-C 107.458 -1.312 . . . . 74.21 107.458 175.007 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 22' ' ' HIS . . . . . 0.432 ' H ' ' HA ' ' B' ' 9' ' ' ALA . 10.4 t-80 -48.34 -37.45 16.66 Favored 'General case' 0 N--CA 1.469 0.515 0 O-C-N 126.106 2.129 . . . . 73.12 113.178 -165.204 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 23' ' ' ASP . . . . . 0.406 ' HB3' ' HE2' ' B' ' 25' ' ' LYS . 1.4 m-20 -80.66 26.08 0.41 Allowed 'General case' 0 C--N 1.317 -0.833 0 CA-C-O 120.94 0.4 . . . . 63.54 110.895 -175.456 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 24' ' ' GLN . . . . . 0.408 ' H ' ' C ' ' B' ' 22' ' ' HIS . 28.0 mm-40 68.4 15.72 9.23 Favored 'General case' 0 CA--C 1.518 -0.279 0 CA-C-N 115.455 -0.793 . . . . 71.43 110.512 176.59 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 25' ' ' LYS . . . . . 0.406 ' HE2' ' HB3' ' B' ' 23' ' ' ASP . 72.5 mmtt -74.92 -34.35 62.11 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 115.67 -0.695 . . . . 41.25 109.837 -179.809 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 26' ' ' LEU . . . . . 0.525 ' N ' ' HB3' ' B' ' 21' ' ' SER . 50.7 tp -148.68 147.67 29.17 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 120.312 -0.555 . . . . 71.52 111.784 -176.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -156.66 101.19 1.98 Allowed 'General case' 0 N--CA 1.464 0.27 0 O-C-N 123.803 0.69 . . . . 53.33 109.589 174.25 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 28' ' ' VAL . . . . . 0.51 ' O ' ' HG3' ' B' ' 18' ' ' ARG . 3.3 m -139.29 177.94 4.26 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.448 0 CA-C-N 116.011 -0.54 . . . . 74.12 110.767 179.501 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.505 ' HA ' ' HA ' ' B' ' 18' ' ' ARG . 16.8 ttmt -140.02 144.47 36.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.006 0.432 . . . . 64.31 111.221 -174.733 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 30' ' ' LEU . . . . . 0.621 ' N ' HD13 ' B' ' 30' ' ' LEU . 0.0 OUTLIER -134.08 175.25 9.65 Favored 'General case' 0 C--O 1.249 1.038 0 CA-C-N 115.485 -0.78 . . . . 72.32 110.701 176.107 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 41.0 p -170.91 144.39 2.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.714 -0.676 . . . . 62.35 110.433 -176.553 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -74.65 114.09 30.73 Favored Pre-proline 0 C--O 1.24 0.585 0 O-C-N 123.46 0.475 . . . . 75.13 111.488 -179.486 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 33' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -59.83 144.26 99.48 Favored 'Trans proline' 0 C--N 1.354 0.829 0 C-N-CA 122.588 2.192 . . . . 71.3 110.737 174.362 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 34' ' ' ARG . . . . . 0.594 ' HB2' ' N ' ' B' ' 40' ' ' GLY . 36.1 ttt85 -84.82 3.74 36.35 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.818 -0.353 . . . . 71.43 111.846 -171.641 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -53.72 -24.75 15.8 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-O 120.791 0.329 . . . . 72.42 111.774 177.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 72.6 mt -113.94 23.1 13.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.411 -0.359 . . . . 63.52 111.023 -177.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 81.65 31.77 32.18 Favored Glycine 0 C--N 1.332 0.323 0 C-N-CA 120.98 -0.628 . . . . 51.22 111.616 -176.317 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 38' ' ' GLY . . . . . 0.498 ' H ' ' HA ' ' B' ' 34' ' ' ARG . . . -86.8 -131.54 3.13 Favored Glycine 0 CA--C 1.519 0.307 0 CA-C-N 115.208 -0.496 . . . . 64.12 112.631 -177.595 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -105.67 -39.53 6.05 Favored 'General case' 0 N--CA 1.462 0.159 0 N-CA-C 112.084 0.402 . . . . 71.25 112.084 -173.376 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 40' ' ' GLY . . . . . 0.594 ' N ' ' HB2' ' B' ' 34' ' ' ARG . . . 102.35 31.59 5.21 Favored Glycine 0 C--N 1.328 0.136 0 C-N-CA 120.694 -0.765 . . . . 53.13 113.689 177.626 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -96.24 175.69 6.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.799 0.333 . . . . 45.11 110.708 177.634 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -109.34 9.54 25.69 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-O 121.049 0.452 . . . . 74.14 111.153 -173.593 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -71.78 -156.2 2.53 Favored Glycine 0 CA--C 1.522 0.518 0 CA-C-N 115.168 -0.924 . . . . 72.12 113.506 -177.687 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 44' ' ' THR . . . . . 0.597 ' H ' ' HA ' ' B' ' 30' ' ' LEU . 22.8 m -106.56 156.93 18.07 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 122.52 0.328 . . . . 35.03 110.95 -173.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 45' ' ' ASN . . . . . 0.521 ' HB2' ' HB2' ' B' ' 48' ' ' GLN . 40.4 m-80 -86.38 144.33 37.91 Favored Pre-proline 0 CA--C 1.534 0.359 0 N-CA-C 109.814 -0.439 . . . . 71.14 109.814 176.376 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 46' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' B' ' 45' ' ' ASN . 26.7 Cg_exo -63.29 -49.72 4.37 Favored 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 122.677 2.251 . . . . 54.41 112.272 179.616 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -63.88 -32.12 73.54 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 121.709 0.766 . . . . 73.03 109.681 -178.075 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 48' ' ' GLN . . . . . 0.521 ' HB2' ' HB2' ' B' ' 45' ' ' ASN . 64.9 tt0 -62.74 -42.5 99.7 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 114.25 -1.341 . . . . 65.22 110.213 177.746 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -68.7 -48.64 63.36 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 115.709 -0.678 . . . . 73.15 109.904 179.793 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -56.3 -46.7 79.67 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 116.303 -0.408 . . . . 74.53 110.723 178.642 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 51' ' ' ALA . . . . . 0.533 ' HB1' ' HB1' ' B' ' 81' ' ' ALA . . . -63.66 -52.23 61.61 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.284 -0.416 . . . . 63.22 111.597 -178.791 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.93 -54.16 48.14 Favored 'General case' 0 C--O 1.239 0.511 0 CA-C-O 121.222 0.534 . . . . 74.31 110.528 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -59.55 -50.61 65.91 Favored Glycine 0 N--CA 1.449 -0.482 0 CA-C-N 115.433 -0.803 . . . . 73.22 112.351 -179.538 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 6.2 t80 -59.73 -48.43 81.72 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.505 0.152 . . . . 73.14 110.939 -178.108 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 77.3 p -57.55 -51.59 68.85 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 109.895 -0.409 . . . . 71.55 109.895 -179.277 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.06 -43.26 91.71 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-O 121.072 0.463 . . . . 72.32 111.21 178.524 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 57' ' ' CYS . . . . . . . . . . . . . 97.3 m -64.75 -36.03 82.98 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.818 -0.628 . . . . 72.4 110.9 -178.051 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 30.3 t80 -60.92 -23.21 65.08 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 116.453 -0.34 . . . . 52.32 110.768 -174.361 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 59' ' ' LEU . . . . . 0.457 ' O ' ' HG3' ' B' ' 63' ' ' LYS . 8.7 mp -65.82 -45.81 80.9 Favored 'General case' 0 N--CA 1.463 0.202 0 N-CA-C 109.743 -0.466 . . . . 64.41 109.743 175.298 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 60' ' ' SER . . . . . 0.546 ' HA ' ' HD3' ' B' ' 63' ' ' LYS . 35.6 t -59.89 -43.54 94.72 Favored 'General case' 0 C--O 1.239 0.538 0 CA-C-O 121.332 0.587 . . . . 73.23 109.5 176.025 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 61' ' ' ALA . . . . . 0.426 ' O ' HG23 ' B' ' 65' ' ' VAL . . . -57.92 -41.54 82.91 Favored 'General case' 0 N--CA 1.457 -0.101 0 CA-C-N 115.484 -0.78 . . . . 44.1 110.123 176.408 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 62' ' ' MET . . . . . 0.482 ' SD ' ' HB1' ' B' ' 118' ' ' ALA . 81.9 mmm -67.75 -31.84 72.03 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-N 116.107 -0.497 . . . . 71.0 110.968 178.364 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 63' ' ' LYS . . . . . 0.546 ' HD3' ' HA ' ' B' ' 60' ' ' SER . 62.0 mtpt -65.96 -41.17 91.57 Favored 'General case' 0 C--O 1.234 0.242 0 N-CA-C 109.803 -0.443 . . . . 72.03 109.803 177.393 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 61.1 t80 -68.93 -46.83 67.23 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 116.227 -0.442 . . . . 73.11 110.276 175.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 65' ' ' VAL . . . . . 0.426 HG23 ' O ' ' B' ' 61' ' ' ALA . 42.0 t -54.86 -48.55 74.05 Favored 'Isoleucine or valine' 0 C--O 1.233 0.205 0 CA-C-N 116.193 -0.458 . . . . 75.05 110.54 178.38 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -58.53 -32.16 68.6 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.939 -0.573 . . . . 74.13 110.214 178.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -67.33 -31.57 77.4 Favored Glycine 0 N--CA 1.449 -0.473 0 CA-C-N 115.34 -0.845 . . . . 75.04 112.214 -178.5 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 68' ' ' GLN . . . . . 0.41 ' HG3' HD22 ' B' ' 69' ' ' ASN . 13.2 pt20 -98.99 -13.04 20.07 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 121.382 0.61 . . . . 64.5 109.827 -179.555 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 69' ' ' ASN . . . . . 0.41 HD22 ' HG3' ' B' ' 68' ' ' GLN . 1.0 OUTLIER -92.82 1.48 57.26 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.353 -0.84 . . . . 65.21 110.508 176.524 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 63.34 29.55 15.68 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 115.503 -0.771 . . . . 73.12 111.297 175.102 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -127.12 166.06 18.37 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.969 -0.56 . . . . 74.24 110.657 179.565 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 11.1 p -124.93 134.62 52.58 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.308 -0.405 . . . . 74.12 110.715 179.451 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 73' ' ' LEU . . . . . 0.482 HD22 HD21 ' B' ' 103' ' ' LEU . 95.2 mt -109.59 144.26 29.5 Favored Pre-proline 0 C--N 1.33 -0.242 0 CA-C-N 116.33 -0.395 . . . . 75.15 110.894 -179.466 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 74' ' ' PRO . . . . . 0.566 ' HD2' HD11 ' B' ' 103' ' ' LEU . 23.5 Cg_exo -66.07 144.09 74.45 Favored 'Trans proline' 0 C--N 1.35 0.649 0 C-N-CA 123.053 2.502 . . . . 62.01 112.909 179.849 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -76.74 -22.08 54.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.603 0.716 . . . . 71.53 111.009 178.732 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -80.72 22.84 0.56 Allowed 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.161 -0.927 . . . . 60.22 111.493 -172.5 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 77' ' ' THR . . . . . 0.524 ' HA ' ' HD3' ' B' ' 104' ' ' PRO . 9.9 t -87.94 162.09 17.08 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-N 115.997 -0.547 . . . . 73.25 112.118 -175.296 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 1.2 p -150.92 152.37 33.52 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 115.238 -0.892 . . . . 71.23 110.697 -177.846 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 79' ' ' VAL . . . . . 0.428 ' CG2' HD11 ' B' ' 59' ' ' LEU . 59.8 t -136.78 157.86 36.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 N-CA-C 108.781 -0.822 . . . . 54.24 108.781 178.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 85.6 m -135.73 122.04 20.46 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 122.021 -0.424 . . . . 72.42 110.64 174.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 81' ' ' ALA . . . . . 0.533 ' HB1' ' HB1' ' B' ' 51' ' ' ALA . . . -104.05 111.08 23.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.681 -0.691 . . . . 73.43 109.894 178.249 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 82' ' ' GLU . . . . . 0.404 ' HG3' ' HB2' ' A' ' 8' ' ' ALA . 27.7 tt0 -113.99 110.85 20.7 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.647 -0.501 . . . . 71.23 109.647 -177.883 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 83' ' ' VAL . . . . . 0.416 ' O ' ' HG3' ' A' ' 6' ' ' LYS . 93.6 t -103.32 136.61 35.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.198 -0.455 . . . . 71.44 111.24 -174.089 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 84' ' ' GLY . . . . . . . . . . . . . . . -136.32 162.65 25.11 Favored Glycine 0 N--CA 1.441 -0.981 0 N-CA-C 111.522 -0.631 . . . . 52.45 111.522 177.808 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -145.23 134.84 18.3 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.827 0 N-CA-C 109.155 -0.683 . . . . 73.1 109.155 178.695 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 86' ' ' GLY . . . . . 0.41 ' HA2' ' HG ' ' A' ' 4' ' ' LEU . . . -147.4 170.02 28.26 Favored Glycine 0 C--O 1.23 -0.128 0 N-CA-C 111.078 -0.809 . . . . 52.3 111.078 -179.477 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 87' ' ' PRO . . . . . 0.675 ' HD3' ' HG ' ' A' ' 4' ' ' LEU . 23.6 Cg_exo -61.93 129.99 29.42 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.379 2.053 . . . . 61.3 111.714 -177.724 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 88' ' ' ASN . . . . . 0.477 ' HB2' ' C ' ' B' ' 93' ' ' PHE . 47.9 t-20 -81.96 147.45 29.23 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.786 -0.643 . . . . 72.3 109.936 -178.798 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -61.34 -23.47 65.77 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.181 0.515 . . . . 65.22 110.162 177.404 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -67.07 -22.78 65.83 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 115.208 -0.906 . . . . 74.05 110.889 175.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.29 10.11 34.71 Favored Glycine 0 CA--C 1.52 0.36 0 CA-C-N 115.971 -0.559 . . . . 72.2 112.238 -175.544 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . -117.11 -126.55 3.8 Favored Glycine 0 CA--C 1.52 0.351 0 N-CA-C 111.545 -0.622 . . . . 70.13 111.545 177.262 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 93' ' ' PHE . . . . . 0.477 ' C ' ' HB2' ' B' ' 88' ' ' ASN . 18.4 m-85 -123.04 148.36 45.66 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.024 0.44 . . . . 73.12 110.617 179.148 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -128.59 127.73 42.85 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.714 -0.676 . . . . 62.21 109.361 179.767 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -96.28 143.02 27.73 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.044 0.45 . . . . 74.21 110.989 -177.202 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 96' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -128.6 110.3 12.12 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 114.958 -1.019 . . . . 73.53 109.264 -178.837 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 97' ' ' VAL . . . . . . . . . . . . . 51.7 t -114.23 110.73 33.16 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.041 0 CA-C-O 120.732 0.301 . . . . 65.34 110.245 -178.279 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -101.35 111.55 23.8 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.377 -0.374 . . . . 74.42 110.256 -177.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 88.9 mt -103.86 107.1 17.83 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-N 116.238 -0.437 . . . . 61.12 110.205 179.277 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 100' ' ' ARG . . . . . 0.511 ' HA ' HG13 ' B' ' 137' ' ' VAL . 53.2 ttt180 -99.42 119.8 38.57 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.015 -0.539 . . . . 64.11 109.933 -179.122 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 101' ' ' VAL . . . . . . . . . . . . . 93.7 t -103.68 106.41 20.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.351 -0.386 . . . . 60.12 111.322 -174.695 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -104.1 101.19 10.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.902 0.382 . . . . 53.32 110.264 176.55 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 103' ' ' LEU . . . . . 0.851 HD23 HD22 ' B' ' 106' ' ' LEU . 32.0 tp -110.84 122.66 37.5 Favored Pre-proline 0 C--N 1.329 -0.309 0 N-CA-C 108.783 -0.821 . . . . 72.24 108.783 178.823 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 104' ' ' PRO . . . . . 0.535 ' HD2' HD12 ' B' ' 103' ' ' LEU . 70.7 Cg_endo -73.01 150.96 49.52 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.224 1.949 . . . . 74.24 112.348 -176.389 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 105' ' ' GLY . . . . . . . . . . . . . . . 66.72 14.78 63.37 Favored Glycine 0 CA--C 1.521 0.423 0 CA-C-N 115.539 -0.755 . . . . 72.34 112.886 -179.014 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 106' ' ' LEU . . . . . 0.851 HD22 HD23 ' B' ' 103' ' ' LEU . 26.6 tp -113.79 136.91 52.34 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-O 121.209 0.528 . . . . 60.53 111.133 -177.201 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -75.48 148.23 39.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.231 -0.895 . . . . 63.12 110.176 175.478 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 108' ' ' ALA . . . . . 0.405 ' O ' ' HG3' ' B' ' 112' ' ' LYS . . . -66.11 -41.52 90.46 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.878 0.371 . . . . 34.32 110.891 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -59.38 -46.82 87.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.027 -0.533 . . . . 64.51 110.295 178.727 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 110' ' ' ALA . . . . . 0.576 ' O ' HG22 ' B' ' 113' ' ' THR . . . -67.78 -39.91 84.04 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.692 -0.686 . . . . 72.03 110.24 178.126 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 111' ' ' ALA . . . . . 0.476 ' HA ' HD21 ' B' ' 106' ' ' LEU . . . -55.07 -43.94 74.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.851 -0.613 . . . . 64.14 110.829 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 112' ' ' LYS . . . . . 0.405 ' HG3' ' O ' ' B' ' 108' ' ' ALA . 53.9 mtpt -53.35 -42.31 66.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.687 -0.688 . . . . 74.45 111.663 178.732 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 113' ' ' THR . . . . . 0.576 HG22 ' O ' ' B' ' 110' ' ' ALA . 1.3 t -79.69 -35.22 39.44 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-O 120.709 0.29 . . . . 72.03 110.663 -176.326 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 114' ' ' LEU . . . . . 0.513 ' HG ' ' O ' ' B' ' 110' ' ' ALA . 51.4 mt -66.08 -49.18 68.51 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-O 120.935 0.398 . . . . 70.23 110.201 -179.257 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 115' ' ' VAL . . . . . 0.576 HG21 HG12 ' B' ' 138' ' ' VAL . 73.5 t -58.75 -40.38 79.49 Favored 'Isoleucine or valine' 0 C--O 1.239 0.534 0 CA-C-N 115.806 -0.634 . . . . 63.55 110.25 176.477 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -58.93 -61.44 2.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.405 -0.816 . . . . 75.43 111.053 -178.733 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 117' ' ' ARG . . . . . 0.434 ' HG2' ' O ' ' B' ' 113' ' ' THR . 15.9 ptm180 -61.38 -44.12 97.7 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 115.869 -0.605 . . . . 70.2 110.984 -177.141 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 118' ' ' ALA . . . . . 0.482 ' HB1' ' SD ' ' B' ' 62' ' ' MET . . . -58.6 -49.76 76.31 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-O 120.978 0.418 . . . . 61.11 111.363 -177.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 119' ' ' HIS . . . . . 0.476 ' CE1' HG13 ' B' ' 115' ' ' VAL . 65.6 m80 -74.83 -5.2 42.23 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.218 -0.446 . . . . 74.31 111.934 -175.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 13.6 t-80 -103.77 -34.73 8.46 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-O 120.61 0.243 . . . . 61.52 110.699 179.676 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 32.9 m -81.5 -30.33 10.85 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.26 0 CA-C-O 120.952 0.406 . . . . 63.42 110.416 178.08 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 122' ' ' CYS . . . . . . . . . . . . . 53.0 t -123.26 77.57 52.82 Favored Pre-proline 0 C--N 1.331 -0.234 0 N-CA-C 109.615 -0.513 . . . . 74.53 109.615 176.043 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 123' ' ' PRO . . . . . . . . . . . . . 87.2 Cg_endo -101.26 107.56 0.04 OUTLIER 'Trans proline' 0 N--CA 1.45 -1.046 0 C-N-CA 123.392 2.728 . . . . 65.25 113.198 -177.565 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 124' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -64.81 87.77 0.06 Allowed 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 108.938 -0.764 . . . . 65.35 108.938 170.792 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 125' ' ' SER . . . . . 0.501 ' O ' HG22 ' B' ' 128' ' ' THR . 49.6 m 66.39 107.84 0.04 OUTLIER 'General case' 0 CA--C 1.539 0.528 0 O-C-N 123.858 0.724 . . . . 64.23 111.582 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 126' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 -64.23 -38.03 89.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.794 -0.639 . . . . 74.24 110.013 176.317 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 127' ' ' ALA . . . . . 0.495 ' O ' ' HB3' ' B' ' 131' ' ' ASN . . . -68.29 1.13 3.13 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.419 -0.81 . . . . 65.3 111.848 -179.437 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 128' ' ' THR . . . . . 0.501 HG22 ' O ' ' B' ' 125' ' ' SER . 0.6 OUTLIER -111.44 -6.8 14.41 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-O 120.754 0.311 . . . . 55.14 110.608 179.479 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 129' ' ' ARG . . . . . . . . . . . . . 10.6 ptp180 -125.57 -40.51 2.08 Favored 'General case' 0 N--CA 1.463 0.193 0 N-CA-C 111.741 0.274 . . . . 75.21 111.741 -176.151 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 130' ' ' ASN . . . . . . . . . . . . . 55.7 m-80 -78.67 -36.84 43.14 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 121.145 0.498 . . . . 74.14 109.71 174.502 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 131' ' ' ASN . . . . . 0.495 ' HB3' ' O ' ' B' ' 127' ' ' ALA . 28.5 t-20 -81.95 -43.84 17.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.679 -0.691 . . . . 75.43 110.832 -179.474 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 132' ' ' VAL . . . . . 0.409 ' HB ' ' O ' ' B' ' 128' ' ' THR . 21.6 t -98.07 155.67 3.72 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.301 0 CA-C-N 116.082 -0.508 . . . . 52.13 110.49 -177.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 133' ' ' ALA . . . . . . . . . . . . . . . -79.68 103.1 9.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.308 0.575 . . . . 72.23 111.279 -177.481 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 134' ' ' VAL . . . . . . . . . . . . . 46.8 t -123.73 110.46 25.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.483 -0.78 . . . . 61.1 110.039 177.202 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 82.1 mtt180 -76.62 114.43 15.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.97 -0.559 . . . . 74.32 110.407 -179.231 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 33.7 mt -91.46 109.1 20.39 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.335 -0.617 . . . . 72.41 109.335 170.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 137' ' ' VAL . . . . . 0.511 HG13 ' HA ' ' B' ' 100' ' ' ARG . 0.2 OUTLIER -125.95 128.88 72.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.731 -0.668 . . . . 72.22 110.441 -175.216 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 138' ' ' VAL . . . . . 0.576 HG12 HG21 ' B' ' 115' ' ' VAL . 3.1 m -98.71 138.35 23.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 115.937 -0.574 . . . . 70.52 110.076 -179.292 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 139' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.045 0 CA-C-N 115.704 -0.68 . . . . 71.35 110.511 -176.631 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.519 ' SD ' ' HB2' ' B' ' 96' ' ' ASP . 25.7 ptm . . . . . 0 N--CA 1.487 1.42 0 CA-C-O 121.03 0.443 . . . . 71.43 110.791 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.429 ' O ' ' HA3' ' B' ' 86' ' ' GLY . 49.7 t30 -91.11 84.15 5.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.807 -0.633 . . . . 75.52 109.631 -178.868 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.544 HG21 ' HB2' ' A' ' 6' ' ' LYS . 27.0 mm -76.67 131.49 34.75 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-N 115.838 -0.619 . . . . 51.02 112.367 -178.429 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.666 ' HG ' ' HD3' ' B' ' 87' ' ' PRO . 81.7 mt -90.93 -44.06 9.6 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-N 115.216 -0.902 . . . . 74.21 109.723 172.307 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 23.6 t80 -136.04 129.63 32.27 Favored 'General case' 0 C--O 1.221 -0.403 0 CA-C-N 115.582 -0.735 . . . . 54.43 109.911 -177.537 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.544 ' HB2' HG21 ' A' ' 3' ' ' ILE . 28.1 ttmt -142.28 132.65 24.99 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.026 0.441 . . . . 62.42 110.125 174.698 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 12.3 t -134.53 149.8 50.7 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.389 -0.823 . . . . 73.02 109.865 -178.309 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.471 ' HA ' ' HA ' ' B' ' 82' ' ' GLU . . . -112.57 151.3 30.21 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-O 121.128 0.49 . . . . 64.34 111.685 -174.02 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.483 ' HA ' ' H ' ' A' ' 22' ' ' HIS . . . -143.66 126.88 16.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.847 -0.615 . . . . 65.14 110.08 176.287 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.493 HG23 ' HB ' ' A' ' 20' ' ' THR . 4.8 t -99.41 137.06 38.45 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.465 -0.334 . . . . 73.43 110.114 178.68 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 58.7 p -126.06 113.52 17.2 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.122 0.487 . . . . 71.32 110.495 179.138 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 4.9 m -106.4 161.91 14.16 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.169 -0.469 . . . . 72.12 110.746 -178.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -79.52 72.93 2.46 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 121.017 -0.611 . . . . 62.44 111.727 174.463 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -60.08 -101.78 0.01 OUTLIER Glycine 0 C--N 1.338 0.667 0 C-N-CA 121.455 -0.402 . . . . 62.02 112.368 178.258 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.419 ' HG2' ' HB2' ' A' ' 41' ' ' ALA . 10.3 tpt180 -82.72 -54.6 5.01 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 108.985 -0.746 . . . . 73.04 108.985 174.504 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.524 ' HB3' ' HA ' ' A' ' 31' ' ' SER . 22.0 t70 -125.62 -41.8 1.98 Allowed 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 107.764 -1.199 . . . . 74.22 107.764 169.176 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -154.56 159.33 28.86 Favored Glycine 0 N--CA 1.445 -0.733 0 CA-C-N 115.273 -0.876 . . . . 73.12 110.912 170.38 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.611 ' HA ' ' HA ' ' A' ' 29' ' ' LYS . 56.4 ttp180 -137.6 147.69 45.24 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 109.346 -0.612 . . . . 73.24 109.346 176.799 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.449 ' HB2' ' HB2' ' B' ' 56' ' ' ALA . . . -130.44 123.55 30.03 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.855 -0.424 . . . . 71.12 109.855 177.104 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.493 ' HB ' HG23 ' A' ' 10' ' ' THR . 27.9 m -133.27 111.01 10.49 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.69 -0.686 . . . . 63.53 110.039 -179.221 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.479 ' HB3' ' N ' ' A' ' 26' ' ' LEU . 44.8 t -68.47 108.73 3.39 Favored 'General case' 0 C--O 1.246 0.875 0 N-CA-C 107.49 -1.3 . . . . 62.3 107.49 177.53 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.483 ' H ' ' HA ' ' A' ' 9' ' ' ALA . 31.8 t60 -56.16 -23.52 35.44 Favored 'General case' 0 N--CA 1.47 0.528 0 O-C-N 125.783 1.927 . . . . 71.44 112.563 -165.19 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.434 ' CB ' ' HE3' ' A' ' 25' ' ' LYS . 4.2 m-20 -80.3 19.46 0.76 Allowed 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 109.708 -0.479 . . . . 73.43 109.708 179.578 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.44 ' H ' ' C ' ' A' ' 22' ' ' HIS . 29.7 mm-40 69.87 16.59 7.72 Favored 'General case' 0 CA--C 1.519 -0.229 0 CA-C-N 115.192 -0.913 . . . . 72.53 110.03 176.66 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.434 ' HE3' ' CB ' ' A' ' 23' ' ' ASP . 95.1 mttt -78.62 -35.33 45.71 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-N 115.113 -0.949 . . . . 73.44 111.003 -178.646 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.479 ' N ' ' HB3' ' A' ' 21' ' ' SER . 56.0 tp -145.69 147.85 32.4 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 120.141 -0.624 . . . . 74.42 111.634 -175.541 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -156.96 94.89 1.47 Allowed 'General case' 0 N--CA 1.463 0.219 0 O-C-N 123.558 0.536 . . . . 74.13 110.413 177.026 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.4 ' O ' ' HG3' ' A' ' 18' ' ' ARG . 4.3 m -145.01 177.3 1.78 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.422 0 CA-C-N 116.264 -0.425 . . . . 62.12 110.685 177.181 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.611 ' HA ' ' HA ' ' A' ' 18' ' ' ARG . 0.0 OUTLIER -131.42 147.32 52.55 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.249 -0.432 . . . . 62.42 110.733 -176.904 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.69 ' HA ' ' H ' ' A' ' 44' ' ' THR . 0.0 OUTLIER -130.32 165.78 21.78 Favored 'General case' 0 C--O 1.244 0.773 0 CA-C-N 116.205 -0.452 . . . . 64.12 110.802 178.8 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.524 ' HA ' ' HB3' ' A' ' 16' ' ' ASP . 47.2 m -161.09 177.44 10.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.874 -0.603 . . . . 75.34 110.278 -175.304 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.456 ' O ' ' HA3' ' A' ' 38' ' ' GLY . . . -88.79 149.05 42.96 Favored Pre-proline 0 C--N 1.326 -0.454 0 CA-C-N 115.885 -0.598 . . . . 52.21 110.139 179.857 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.519 ' HG3' ' ND2' ' A' ' 45' ' ' ASN . 31.3 Cg_exo -61.35 125.12 16.12 Favored 'Trans proline' 0 C--O 1.234 0.306 0 C-N-CA 122.584 2.189 . . . . 73.33 112.38 -179.316 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.433 ' HG2' ' HA2' ' A' ' 40' ' ' GLY . 0.5 OUTLIER -52.2 -27.75 15.8 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 120.847 0.356 . . . . 50.12 110.834 173.586 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 17.3 mp0 -56.78 -34.76 67.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.567 -0.742 . . . . 75.14 110.569 176.657 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 72.4 mt -107.53 14.97 25.27 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.846 -0.615 . . . . 63.44 110.809 -176.616 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.32 36.44 8.83 Favored Glycine 0 CA--C 1.519 0.309 0 C-N-CA 121.06 -0.59 . . . . 72.22 112.576 179.796 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.456 ' HA3' ' O ' ' A' ' 32' ' ' ALA . . . -66.7 -7.63 42.61 Favored Glycine 0 C--N 1.334 0.451 0 C-N-CA 121.559 -0.353 . . . . 73.44 113.559 -179.823 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . 77.07 -0.65 2.92 Favored 'General case' 0 N--CA 1.448 -0.572 0 C-N-CA 123.737 0.815 . . . . 63.22 111.352 172.367 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.433 ' HA2' ' HG2' ' A' ' 34' ' ' ARG . . . 102.76 102.23 2.67 Favored Glycine 0 N--CA 1.433 -1.5 0 CA-C-N 115.107 -0.951 . . . . 45.53 113.787 163.795 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.419 ' HB2' ' HG2' ' A' ' 15' ' ' ARG . . . -164.55 146.14 8.28 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.85 -0.426 . . . . 44.21 109.85 173.411 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -101.24 35.82 2.15 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.867 -0.606 . . . . 71.23 110.517 -177.626 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -82.64 -123.9 0.82 Allowed Glycine 0 CA--C 1.521 0.428 0 CA-C-N 115.703 -0.68 . . . . 55.55 112.559 -179.372 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.69 ' H ' ' HA ' ' A' ' 30' ' ' LEU . 92.5 m -140.87 151.31 44.19 Favored 'General case' 0 N--CA 1.45 -0.46 0 N-CA-C 109.964 -0.384 . . . . 74.01 109.964 -178.566 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.519 ' ND2' ' HG3' ' A' ' 33' ' ' PRO . 1.1 m-20 -84.73 139.5 37.74 Favored Pre-proline 0 CA--C 1.534 0.332 0 N-CA-C 110.044 -0.354 . . . . 72.33 110.044 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.586 ' HB3' ' SG ' ' B' ' 57' ' ' CYS . 38.4 Cg_exo -58.86 -59.75 0.43 Allowed 'Trans proline' 0 CA--C 1.536 0.596 0 C-N-CA 123.204 2.603 . . . . 63.04 113.176 -177.044 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.513 ' CD ' ' H ' ' A' ' 47' ' ' GLU . 2.8 mp0 -56.16 -39.7 72.71 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-O 121.733 0.778 . . . . 62.13 109.48 -179.052 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.478 HE21 HG23 ' A' ' 44' ' ' THR . 25.5 tt0 -61.76 -41.11 97.27 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 114.426 -1.261 . . . . 72.35 110.813 178.91 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.508 HD12 ' HA3' ' B' ' 53' ' ' GLY . 2.5 tm? -65.27 -49.35 69.88 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 115.74 -0.664 . . . . 71.11 109.701 -178.702 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 61.2 t80 -60.61 -44.2 96.58 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 116.346 -0.388 . . . . 64.45 110.369 177.69 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.508 ' HB2' HG11 ' A' ' 83' ' ' VAL . . . -54.08 -53.01 58.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 52.03 111.436 177.855 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.39 -45.59 93.0 Favored 'General case' 0 C--O 1.236 0.342 0 CA-C-N 116.083 -0.508 . . . . 51.43 110.613 -179.514 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.553 ' HA3' HD12 ' B' ' 49' ' ' LEU . . . -65.13 -37.4 94.08 Favored Glycine 0 N--CA 1.449 -0.463 0 CA-C-N 115.784 -0.644 . . . . 45.35 112.46 -179.812 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.425 ' HE1' ' SG ' ' A' ' 122' ' ' CYS . 4.7 t80 -75.24 -37.78 60.87 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 122.25 0.22 . . . . 71.4 110.739 -177.446 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.494 ' HB3' ' HB2' ' A' ' 81' ' ' ALA . 17.0 p -66.3 -44.02 84.67 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.012 0.434 . . . . 50.31 109.845 177.273 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.523 ' HB1' HD21 ' B' ' 30' ' ' LEU . . . -64.24 -40.2 95.54 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 115.857 -0.61 . . . . 72.41 110.301 175.283 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.751 ' SG ' ' HB3' ' B' ' 46' ' ' PRO . 44.0 t -62.7 -36.65 83.64 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.606 -0.724 . . . . 74.4 110.274 176.625 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -64.0 -40.7 96.95 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.988 -0.551 . . . . 64.12 109.623 -178.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 85.6 mt -65.01 -43.34 92.81 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.569 -0.742 . . . . 74.12 110.285 176.542 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 34.7 m -62.24 -44.67 96.02 Favored 'General case' 0 C--O 1.239 0.544 0 CA-C-N 115.841 -0.618 . . . . 74.4 110.198 178.214 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.428 ' O ' HG23 ' A' ' 65' ' ' VAL . . . -60.76 -47.2 87.37 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-N 115.315 -0.857 . . . . 64.15 110.05 178.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 85.2 mmm -62.23 -34.61 76.83 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.253 -0.43 . . . . 61.32 110.954 178.701 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 8.3 ttpm? -65.42 -43.41 90.64 Favored 'General case' 0 C--O 1.233 0.214 0 N-CA-C 109.969 -0.382 . . . . 62.32 109.969 178.559 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 77.4 t80 -67.04 -49.09 66.3 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 116.18 -0.464 . . . . 70.35 110.602 177.332 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.428 HG23 ' O ' ' A' ' 61' ' ' ALA . 53.4 t -55.65 -48.34 77.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.041 -0.527 . . . . 51.41 110.892 -179.431 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -56.39 -31.2 63.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.092 0.473 . . . . 55.45 110.488 178.364 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -71.51 -31.71 65.32 Favored Glycine 0 CA--C 1.518 0.243 0 CA-C-N 115.424 -0.807 . . . . 65.01 112.448 -178.344 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -96.2 -12.89 23.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.424 0.631 . . . . 73.33 109.365 179.705 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.427 ' HB3' ' HG2' ' A' ' 71' ' ' GLN . 4.9 m-20 -90.47 -5.2 56.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.143 -0.935 . . . . 73.35 110.274 175.88 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 58.33 26.55 14.15 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 115.724 -0.671 . . . . 70.5 110.904 178.155 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.427 ' HG2' ' HB3' ' A' ' 69' ' ' ASN . 0.3 OUTLIER -117.38 161.36 19.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.772 -0.649 . . . . 65.11 109.978 179.296 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 3.4 p -115.83 139.28 50.34 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.909 0.385 . . . . 71.13 110.982 -179.661 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.412 ' HA ' ' HD3' ' A' ' 74' ' ' PRO . 94.0 mt -109.4 137.86 20.38 Favored Pre-proline 0 C--N 1.326 -0.415 0 CA-C-N 115.957 -0.565 . . . . 63.13 109.575 178.152 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.646 ' HB2' ' HG2' ' A' ' 104' ' ' PRO . 32.2 Cg_exo -59.78 138.81 85.19 Favored 'Trans proline' 0 C--N 1.349 0.569 0 C-N-CA 122.722 2.281 . . . . 75.32 112.44 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -77.16 2.18 16.12 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.205 0.446 . . . . 74.43 112.205 -176.685 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.431 ' HB3' ' HG3' ' A' ' 104' ' ' PRO . 27.8 t70 -95.06 1.51 55.07 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.371 0.605 . . . . 72.44 110.707 -178.844 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.403 HG22 ' O ' ' A' ' 74' ' ' PRO . 9.6 t -72.36 152.72 41.89 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.722 -0.672 . . . . 73.42 111.685 -175.431 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 29.5 m -154.2 150.67 28.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.792 -0.64 . . . . 65.01 110.049 -178.564 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 79.2 t -129.49 121.33 52.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 N-CA-C 110.008 -0.367 . . . . 73.54 110.008 177.273 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 21.0 m -102.74 111.07 23.22 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.096 -0.502 . . . . 61.0 110.316 179.207 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.494 ' HB2' ' HB3' ' A' ' 55' ' ' SER . . . -93.69 106.49 18.46 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.052 -0.522 . . . . 75.0 109.975 178.078 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.43 ' HA ' ' HA ' ' B' ' 8' ' ' ALA . 34.8 tt0 -110.15 108.59 18.8 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.491 -0.559 . . . . 74.0 109.491 -178.823 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.508 HG11 ' HB2' ' A' ' 51' ' ' ALA . 21.8 m -108.9 144.96 16.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.978 0.418 . . . . 74.25 111.049 -173.725 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.456 ' HA2' ' HA ' ' B' ' 6' ' ' LYS . . . -142.3 165.93 26.55 Favored Glycine 0 N--CA 1.446 -0.689 0 CA-C-N 115.722 -0.672 . . . . 64.22 111.868 -179.346 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -145.45 131.65 14.21 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 N-CA-C 109.773 -0.454 . . . . 71.32 109.773 -178.384 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' GLY . . . . . 0.411 ' HA2' ' HG ' ' B' ' 4' ' ' LEU . . . -148.47 169.9 29.02 Favored Glycine 0 N--CA 1.453 -0.193 0 CA-C-N 115.251 -0.886 . . . . 64.2 111.422 177.329 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.711 ' HD3' ' HG ' ' B' ' 4' ' ' LEU . 2.8 Cg_endo -79.29 123.01 5.37 Favored 'Trans proline' 0 N--CA 1.458 -0.577 0 C-N-CA 122.89 2.393 . . . . 75.13 111.75 -179.3 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ASN . . . . . 0.493 ' HB2' ' HB2' ' A' ' 94' ' ' ALA . 47.7 t30 -70.95 149.24 46.89 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.126 -0.488 . . . . 63.43 110.092 177.26 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -62.05 -19.01 62.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.294 -0.412 . . . . 74.31 111.357 -177.19 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -67.19 -21.8 65.77 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.041 -0.527 . . . . 62.35 111.135 178.05 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.24 35.17 3.45 Favored Glycine 0 C--N 1.328 0.109 0 N-CA-C 111.49 -0.644 . . . . 52.42 111.49 -176.254 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -144.41 -154.66 6.2 Favored Glycine 0 N--CA 1.451 -0.343 0 N-CA-C 111.082 -0.807 . . . . 74.12 111.082 179.457 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 37.4 m-85 -100.38 166.25 11.05 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 117.097 0.448 . . . . 72.25 110.485 178.19 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.493 ' HB2' ' HB2' ' A' ' 88' ' ' ASN . . . -152.22 126.26 9.14 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.755 -0.657 . . . . 73.43 109.462 175.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -99.91 122.46 42.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.739 -0.664 . . . . 75.45 110.307 -178.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -110.09 112.02 23.75 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.344 -0.844 . . . . 62.1 109.686 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.436 ' HB ' HG22 ' A' ' 134' ' ' VAL . 60.1 t -111.46 110.83 33.63 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.795 0 CA-C-N 116.133 -0.485 . . . . 41.42 110.363 -178.769 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -101.15 109.28 21.13 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.594 -0.521 . . . . 51.52 109.594 179.767 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 74.8 mt -100.41 112.57 24.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.489 -0.323 . . . . 73.33 110.429 -177.861 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.545 ' HA ' ' O ' ' A' ' 137' ' ' VAL . 98.1 mtt180 -99.27 113.76 26.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.486 . . . . 73.43 109.992 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 44.1 t -107.36 97.8 6.13 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-N 116.304 -0.407 . . . . 72.23 110.316 -175.482 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -91.83 101.35 13.93 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.843 0.354 . . . . 73.1 110.1 179.722 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.766 HD23 HD22 ' A' ' 106' ' ' LEU . 25.8 tp -115.07 107.32 50.11 Favored Pre-proline 0 C--N 1.328 -0.364 0 N-CA-C 108.567 -0.901 . . . . 73.31 108.567 177.304 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' PRO . . . . . 0.646 ' HG2' ' HB2' ' A' ' 74' ' ' PRO . 55.7 Cg_endo -70.73 148.97 59.96 Favored 'Trans proline' 0 C--O 1.233 0.265 0 C-N-CA 122.881 2.387 . . . . 73.52 112.788 -171.667 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 77.57 4.19 84.34 Favored Glycine 0 CA--C 1.518 0.277 0 CA-C-N 115.463 -0.79 . . . . 54.45 112.245 -179.074 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.766 HD22 HD23 ' A' ' 103' ' ' LEU . 18.2 tp -113.96 141.34 47.52 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 122.784 0.434 . . . . 65.03 111.045 -175.81 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -78.29 143.38 37.04 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 115.808 -0.633 . . . . 72.42 110.62 176.786 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -58.88 -37.77 77.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.322 -0.399 . . . . 74.35 111.021 178.406 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -57.28 -47.68 80.84 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 115.958 -0.565 . . . . 64.13 111.32 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.544 ' O ' HG22 ' A' ' 113' ' ' THR . . . -75.94 -37.21 58.93 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-O 121.299 0.571 . . . . 73.25 110.172 179.243 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 111' ' ' ALA . . . . . 0.421 ' HA ' HD21 ' A' ' 106' ' ' LEU . . . -55.5 -39.62 70.68 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.439 -0.801 . . . . 54.13 110.717 179.768 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 57.0 mmtt -54.73 -42.25 71.35 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.99 -0.55 . . . . 74.23 111.35 177.379 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' THR . . . . . 0.544 HG22 ' O ' ' A' ' 110' ' ' ALA . 0.8 OUTLIER -77.21 -34.89 56.01 Favored 'General case' 0 CA--C 1.529 0.17 0 CA-C-O 120.711 0.291 . . . . 74.22 110.527 -177.695 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 56.2 mt -65.77 -49.8 67.05 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-O 120.878 0.371 . . . . 61.01 110.52 179.751 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.456 HG21 HG12 ' A' ' 138' ' ' VAL . 57.4 t -65.46 -33.12 61.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.142 -0.481 . . . . 72.22 110.352 178.481 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -60.68 -61.05 2.87 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.885 -0.598 . . . . 63.5 110.031 178.72 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 6.4 ptm180 -61.15 -39.12 88.89 Favored 'General case' 0 CA--C 1.527 0.092 0 CA-C-N 115.953 -0.567 . . . . 65.24 110.488 -177.708 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -60.22 -52.62 64.54 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-O 120.899 0.38 . . . . 63.41 111.1 179.556 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 82.8 t60 -73.03 -14.1 61.35 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-O 120.965 0.412 . . . . 74.13 110.406 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 19.7 t60 -84.63 -31.42 24.24 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 115.855 -0.611 . . . . 75.14 110.689 178.331 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 32.8 m -96.5 -4.97 9.98 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.385 0 CA-C-N 116.711 -0.222 . . . . 74.54 111.303 -179.645 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' CYS . . . . . 0.425 ' SG ' ' HE1' ' A' ' 54' ' ' TYR . 50.9 t -65.12 114.74 16.31 Favored Pre-proline 0 CA--C 1.533 0.325 0 CA-C-N 116.273 -0.421 . . . . 72.12 110.094 178.461 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_endo -85.95 24.13 0.78 Allowed 'Trans proline' 0 C--N 1.35 0.634 0 C-N-CA 123.101 2.534 . . . . 74.45 113.938 -171.621 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' TYR . . . . . 0.536 ' O ' ' HB2' ' A' ' 125' ' ' SER . 7.4 m-85 -69.08 -35.58 76.66 Favored 'General case' 0 N--CA 1.464 0.245 0 C-N-CA 120.932 -0.307 . . . . 65.44 110.278 175.135 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 125' ' ' SER . . . . . 0.536 ' HB2' ' O ' ' A' ' 124' ' ' TYR . 22.6 t 166.37 148.96 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.15 0 O-C-N 124.129 0.893 . . . . 62.44 109.41 175.49 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 126' ' ' ASN . . . . . 0.571 ' O ' ' HG2' ' A' ' 129' ' ' ARG . 96.4 m-20 -63.83 -31.35 72.49 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 108.473 -0.936 . . . . 73.42 108.473 170.009 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 127' ' ' ALA . . . . . 0.459 ' O ' HG23 ' A' ' 132' ' ' VAL . . . -61.59 -3.1 0.92 Allowed 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.038 -0.983 . . . . 54.1 112.209 179.594 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 128' ' ' THR . . . . . 0.454 HG22 ' O ' ' A' ' 125' ' ' SER . 4.3 t -87.39 -7.56 57.59 Favored 'General case' 0 CA--C 1.519 -0.237 0 N-CA-C 108.212 -1.032 . . . . 73.21 108.212 -174.08 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 129' ' ' ARG . . . . . 0.571 ' HG2' ' O ' ' A' ' 126' ' ' ASN . 8.6 ptp85 -132.98 -46.66 0.85 Allowed 'General case' 0 N--CA 1.438 -1.044 0 CA-C-N 114.498 -1.228 . . . . 72.04 111.074 -177.511 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 6.5 m120 -78.97 -35.7 42.65 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-O 120.817 0.341 . . . . 71.52 111.751 -176.02 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -99.01 -38.18 9.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 72.12 110.79 -173.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 132' ' ' VAL . . . . . 0.459 HG23 ' O ' ' A' ' 127' ' ' ALA . 95.6 t -100.12 134.17 40.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.79 0.329 . . . . 70.22 110.34 -174.759 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -77.0 94.71 4.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.226 0.536 . . . . 45.42 110.446 -179.581 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 134' ' ' VAL . . . . . 0.436 HG22 ' HB ' ' A' ' 97' ' ' VAL . 52.8 t -111.74 109.61 29.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.623 -0.717 . . . . 75.02 110.35 178.191 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 17.2 mtm180 -83.66 111.57 19.25 Favored 'General case' 0 C--O 1.236 0.391 0 N-CA-C 109.529 -0.545 . . . . 72.41 109.529 178.413 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 70.3 mt -87.86 102.57 14.82 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-O 121.575 0.702 . . . . 50.04 111.318 -177.66 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 137' ' ' VAL . . . . . 0.545 ' O ' ' HA ' ' A' ' 100' ' ' ARG . 0.2 OUTLIER -105.97 115.33 47.44 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-N 114.803 -1.09 . . . . 74.42 109.705 179.168 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 138' ' ' VAL . . . . . 0.456 HG12 HG21 ' A' ' 115' ' ' VAL . 5.7 m -94.21 138.84 19.64 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 CA-C-N 115.798 -0.637 . . . . 53.11 109.874 -178.416 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.312 -1.056 0 CA-C-N 115.331 -0.85 . . . . 73.13 110.862 -175.057 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 27.8 ptm . . . . . 0 C--O 1.236 0.361 0 CA-C-O 120.974 0.416 . . . . 72.42 110.924 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 36.3 t30 -99.26 83.82 2.91 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.734 -0.666 . . . . 61.35 109.797 179.525 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 3' ' ' ILE . . . . . 0.522 HG21 ' HB2' ' B' ' 6' ' ' LYS . 25.8 mm -71.5 125.39 29.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-O 121.241 0.543 . . . . 72.42 111.516 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.711 ' HG ' ' HD3' ' A' ' 87' ' ' PRO . 87.1 mt -83.17 -45.43 13.92 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.317 -0.856 . . . . 75.25 109.534 174.43 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 5' ' ' TYR . . . . . . . . . . . . . 45.2 t80 -141.23 129.84 22.74 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.006 -0.543 . . . . 75.45 110.752 -179.351 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 6' ' ' LYS . . . . . 0.522 ' HB2' HG21 ' B' ' 3' ' ' ILE . 30.8 ttmt -138.04 136.94 37.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.283 -0.417 . . . . 65.01 110.349 175.611 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 10.3 t -133.63 162.39 32.05 Favored 'General case' 0 C--O 1.239 0.505 0 CA-C-N 115.798 -0.637 . . . . 72.52 109.922 178.451 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 8' ' ' ALA . . . . . 0.43 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . . . -124.19 148.44 47.26 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 121.454 0.645 . . . . 64.22 111.784 -173.617 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 9' ' ' ALA . . . . . 0.632 ' HA ' ' H ' ' B' ' 22' ' ' HIS . . . -133.89 136.0 44.03 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.565 -0.743 . . . . 31.45 109.689 175.79 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 31.9 m -117.68 108.54 15.54 Favored 'General case' 0 N--CA 1.443 -0.819 0 N-CA-C 109.118 -0.697 . . . . 64.31 109.118 -174.809 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 70.8 m -112.58 117.35 32.07 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 115.963 -0.562 . . . . 74.14 110.528 -176.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 2.9 m -98.92 156.5 16.86 Favored 'General case' 0 C--O 1.242 0.682 0 CA-C-N 115.904 -0.589 . . . . 53.42 111.349 -175.82 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -73.75 72.77 1.26 Allowed Glycine 0 N--CA 1.446 -0.691 0 CA-C-N 115.728 -0.669 . . . . 71.12 111.714 174.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -63.67 -175.68 3.63 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 121.308 -0.472 . . . . 73.4 112.345 176.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -49.77 -38.87 35.86 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 120.879 0.371 . . . . 65.14 110.449 -177.859 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -125.7 -43.32 1.87 Allowed 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 108.348 -0.982 . . . . 65.33 108.348 171.261 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -169.71 161.84 35.22 Favored Glycine 0 C--N 1.341 0.824 0 N-CA-C 111.034 -0.827 . . . . 74.22 111.034 160.033 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 18' ' ' ARG . . . . . 0.477 ' HD3' ' O ' ' B' ' 28' ' ' VAL . 15.2 tpp85 -137.75 130.2 29.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 117.391 0.595 . . . . 74.4 110.203 176.862 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 19' ' ' ALA . . . . . 0.465 ' HB2' ' HB2' ' A' ' 56' ' ' ALA . . . -127.63 129.96 48.14 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.21 0.529 . . . . 64.21 110.274 177.253 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 85.4 m -139.24 110.06 6.74 Favored 'General case' 0 C--N 1.317 -0.813 0 N-CA-C 109.575 -0.528 . . . . 75.11 109.575 176.861 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 21' ' ' SER . . . . . 0.498 ' HB3' ' N ' ' B' ' 26' ' ' LEU . 32.5 t -65.88 108.64 2.22 Favored 'General case' 0 C--O 1.248 1.002 0 N-CA-C 107.158 -1.423 . . . . 74.21 107.158 178.005 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 22' ' ' HIS . . . . . 0.632 ' H ' ' HA ' ' B' ' 9' ' ' ALA . 4.9 t-80 -48.44 -38.16 19.05 Favored 'General case' 0 N--CA 1.468 0.451 0 O-C-N 125.98 2.05 . . . . 73.12 113.202 -163.864 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -79.97 25.82 0.36 Allowed 'General case' 0 C--N 1.315 -0.924 0 CA-C-O 121.02 0.438 . . . . 63.54 110.903 -174.259 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 24' ' ' GLN . . . . . 0.407 ' H ' ' C ' ' B' ' 22' ' ' HIS . 31.6 mm-40 67.83 26.98 7.51 Favored 'General case' 0 C--N 1.342 0.264 0 CA-C-N 115.299 -0.864 . . . . 71.43 110.028 175.921 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 25' ' ' LYS . . . . . 0.531 ' HE2' ' HA ' ' B' ' 25' ' ' LYS . 12.0 mmpt? -87.76 -32.15 19.26 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-N 115.069 -0.968 . . . . 41.25 110.409 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 26' ' ' LEU . . . . . 0.498 ' N ' ' HB3' ' B' ' 21' ' ' SER . 39.7 tp -152.68 149.55 28.53 Favored 'General case' 0 CA--C 1.509 -0.604 0 C-N-CA 120.549 -0.46 . . . . 71.52 111.164 -178.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -157.59 90.75 1.11 Allowed 'General case' 0 N--CA 1.448 -0.555 0 CA-C-O 121.388 0.613 . . . . 53.33 111.067 -178.037 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 28' ' ' VAL . . . . . 0.477 ' O ' ' HD3' ' B' ' 18' ' ' ARG . 3.1 m -146.4 157.99 11.25 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.363 0 CA-C-O 121.737 0.779 . . . . 74.12 112.15 178.239 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.461 ' HA ' ' HA ' ' B' ' 18' ' ' ARG . 15.0 tttp -95.5 139.06 32.31 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 114.641 -1.163 . . . . 64.31 108.888 169.224 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 30' ' ' LEU . . . . . 0.633 ' HB2' ' O ' ' B' ' 44' ' ' THR . 0.0 OUTLIER -122.44 172.19 8.52 Favored 'General case' 0 C--O 1.254 1.3 0 CA-C-O 120.941 0.4 . . . . 72.32 110.052 176.799 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 31' ' ' SER . . . . . 0.452 ' OG ' ' HB3' ' B' ' 41' ' ' ALA . 11.8 m -154.01 135.51 14.26 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-N 115.618 -0.719 . . . . 62.35 111.371 -171.287 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 32' ' ' ALA . . . . . 0.716 ' O ' ' HD3' ' B' ' 34' ' ' ARG . . . -58.0 157.58 15.56 Favored Pre-proline 0 C--O 1.224 -0.279 0 N-CA-C 109.276 -0.639 . . . . 75.13 109.276 175.262 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 33' ' ' PRO . . . . . 0.411 ' O ' ' N ' ' B' ' 35' ' ' GLU . 49.0 Cg_exo -58.24 4.93 0.09 OUTLIER 'Trans proline' 0 CA--C 1.543 0.936 0 C-N-CA 123.087 2.524 . . . . 71.3 116.014 -170.174 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 34' ' ' ARG . . . . . 0.716 ' HD3' ' O ' ' B' ' 32' ' ' ALA . 1.3 mpp_? 60.74 -69.25 0.04 OUTLIER 'General case' 0 N--CA 1.475 0.825 0 CA-C-N 118.625 0.648 . . . . 71.43 112.384 -175.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 35' ' ' GLU . . . . . 0.411 ' N ' ' O ' ' B' ' 33' ' ' PRO . 11.6 mm-40 -36.73 -37.82 0.15 Allowed 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 124.009 0.924 . . . . 72.42 112.541 179.119 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.463 HD23 HD12 ' B' ' 85' ' ' ILE . 2.8 mp -101.34 -27.94 12.89 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.95 -0.568 . . . . 63.52 111.125 -173.152 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 154.39 56.5 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.659 -0.781 . . . . 51.22 113.097 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 38' ' ' GLY . . . . . 0.467 ' H ' ' HA ' ' B' ' 34' ' ' ARG . . . -104.8 -140.39 10.37 Favored Glycine 0 N--CA 1.438 -1.23 0 N-CA-C 110.022 -1.231 . . . . 64.12 110.022 170.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -134.5 -23.89 1.61 Allowed 'General case' 0 C--N 1.311 -1.078 0 N-CA-C 112.029 0.381 . . . . 71.25 112.029 -177.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 40' ' ' GLY . . . . . 0.508 ' HA2' ' HG2' ' B' ' 34' ' ' ARG . . . 113.04 101.12 2.49 Favored Glycine 0 CA--C 1.51 -0.273 0 C-N-CA 120.092 -1.051 . . . . 53.13 111.956 -176.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 41' ' ' ALA . . . . . 0.452 ' HB3' ' OG ' ' B' ' 31' ' ' SER . . . -173.26 171.23 4.1 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-O 120.833 0.349 . . . . 45.11 110.988 -179.006 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -103.81 20.09 18.73 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.884 -0.598 . . . . 74.14 110.135 -178.73 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -77.94 -168.16 31.52 Favored Glycine 0 N--CA 1.451 -0.311 0 CA-C-N 115.207 -0.906 . . . . 72.12 112.699 -179.191 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 44' ' ' THR . . . . . 0.633 ' O ' ' HB2' ' B' ' 30' ' ' LEU . 14.5 p -104.41 140.47 37.87 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 110.161 -0.311 . . . . 35.03 110.161 -177.294 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 45' ' ' ASN . . . . . 0.474 HD22 ' HB2' ' B' ' 48' ' ' GLN . 0.0 OUTLIER -92.13 152.99 43.15 Favored Pre-proline 0 C--N 1.324 -0.524 0 N-CA-C 109.886 -0.413 . . . . 71.14 109.886 178.741 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 46' ' ' PRO . . . . . 0.751 ' HB3' ' SG ' ' A' ' 57' ' ' CYS . 97.0 Cg_exo -45.62 -60.72 0.75 Allowed 'Trans proline' 0 C--N 1.352 0.731 0 C-N-CA 123.757 2.971 . . . . 54.41 114.252 -172.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 47' ' ' GLU . . . . . 0.451 ' HB2' HG21 ' B' ' 83' ' ' VAL . 0.0 OUTLIER -63.95 -31.34 72.49 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.163 -0.472 . . . . 73.03 110.683 -174.475 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 48' ' ' GLN . . . . . 0.474 ' HB2' HD22 ' B' ' 45' ' ' ASN . 30.1 tt0 -65.64 -46.6 78.58 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.629 -0.714 . . . . 65.22 110.482 179.018 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 49' ' ' LEU . . . . . 0.553 HD12 ' HA3' ' A' ' 53' ' ' GLY . 1.6 tm? -66.12 -44.59 83.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.565 -0.743 . . . . 73.15 109.513 -178.442 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 31.3 t80 -63.92 -42.26 97.44 Favored 'General case' 0 C--O 1.223 -0.303 0 CA-C-N 115.904 -0.589 . . . . 74.53 111.247 179.108 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.1 -51.28 70.27 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 120.842 0.353 . . . . 63.22 110.905 178.013 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -58.27 -50.54 73.21 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 115.996 -0.547 . . . . 74.31 110.909 178.745 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 53' ' ' GLY . . . . . 0.508 ' HA3' HD12 ' A' ' 49' ' ' LEU . . . -61.21 -45.61 96.16 Favored Glycine 0 N--CA 1.447 -0.574 0 CA-C-N 115.723 -0.671 . . . . 73.22 112.296 179.775 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 54' ' ' TYR . . . . . 0.474 ' OH ' HG21 ' B' ' 128' ' ' THR . 1.8 t80 -59.81 -47.43 85.75 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 122.464 0.306 . . . . 73.14 110.62 -178.687 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 55' ' ' SER . . . . . 0.648 ' HB3' ' HB2' ' B' ' 81' ' ' ALA . 23.1 p -62.57 -50.31 71.79 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-O 120.753 0.311 . . . . 71.55 110.464 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 56' ' ' ALA . . . . . 0.466 ' HB1' HD21 ' A' ' 30' ' ' LEU . . . -58.96 -39.86 82.96 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 116.098 -0.501 . . . . 72.32 111.182 179.057 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 57' ' ' CYS . . . . . 0.586 ' SG ' ' HB3' ' A' ' 46' ' ' PRO . 74.2 m -70.6 -36.48 73.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.938 -0.574 . . . . 72.4 110.099 178.778 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 59.8 t80 -64.7 -34.24 77.84 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.0 -0.545 . . . . 52.32 110.055 -177.567 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -56.52 -46.13 80.74 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.162 -0.681 . . . . 64.41 109.162 176.495 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 60' ' ' SER . . . . . 0.516 ' HA ' ' HE3' ' B' ' 63' ' ' LYS . 7.6 t -78.29 -33.42 49.48 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 115.923 -0.581 . . . . 73.23 110.63 -178.682 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -64.0 -50.75 67.28 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.287 -0.415 . . . . 44.1 110.365 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 62' ' ' MET . . . . . 0.713 ' HG3' HD11 ' B' ' 73' ' ' LEU . 16.5 tpt -66.26 -27.42 67.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.88 -0.6 . . . . 71.0 109.913 177.504 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 63' ' ' LYS . . . . . 0.516 ' HE3' ' HA ' ' B' ' 60' ' ' SER . 21.3 ttpp -65.85 -35.12 79.77 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 115.87 -0.605 . . . . 72.03 110.186 174.304 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 52.0 t80 -73.5 -40.21 64.25 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 121.002 0.429 . . . . 73.11 109.857 173.159 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 48.0 t -55.9 -43.92 76.23 Favored 'Isoleucine or valine' 0 C--O 1.232 0.154 0 CA-C-N 115.88 -0.6 . . . . 75.05 110.333 177.206 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 66' ' ' ALA . . . . . 0.404 ' HA ' ' HG3' ' B' ' 71' ' ' GLN . . . -55.77 -30.68 61.68 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.844 -0.617 . . . . 74.13 110.518 178.802 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -68.82 -36.64 82.61 Favored Glycine 0 N--CA 1.451 -0.339 0 CA-C-N 115.657 -0.701 . . . . 75.04 112.224 -179.015 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 68' ' ' GLN . . . . . 0.415 ' HG3' HD22 ' B' ' 69' ' ' ASN . 11.0 pt20 -92.25 -16.32 26.31 Favored 'General case' 0 CA--C 1.52 -0.176 0 CA-C-O 121.713 0.768 . . . . 64.5 109.303 -178.84 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 69' ' ' ASN . . . . . 0.415 HD22 ' HG3' ' B' ' 68' ' ' GLN . 0.9 OUTLIER -91.39 -3.16 57.0 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 114.916 -1.038 . . . . 65.21 110.552 178.219 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 61.35 30.19 18.92 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 115.905 -0.589 . . . . 73.12 111.488 176.473 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 71' ' ' GLN . . . . . 0.404 ' HG3' ' HA ' ' B' ' 66' ' ' ALA . 2.3 pt20 -122.81 169.46 11.08 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.792 -0.64 . . . . 74.24 110.234 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 36.8 p -123.5 143.36 50.22 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.254 -0.43 . . . . 74.12 110.155 177.819 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 73' ' ' LEU . . . . . 0.713 HD11 ' HG3' ' B' ' 62' ' ' MET . 96.3 mt -109.27 137.97 20.36 Favored Pre-proline 0 C--N 1.326 -0.431 0 CA-C-N 116.481 -0.327 . . . . 75.15 110.202 179.133 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 74' ' ' PRO . . . . . 0.669 ' HD2' HD11 ' B' ' 103' ' ' LEU . 27.5 Cg_exo -64.14 146.92 91.35 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.879 2.386 . . . . 62.01 112.573 178.651 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -73.55 -16.62 61.26 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.664 0.745 . . . . 71.53 111.202 178.372 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -89.66 15.24 9.9 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 114.813 -1.085 . . . . 60.22 111.302 -170.094 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 77' ' ' THR . . . . . 0.48 ' HB ' HD12 ' B' ' 103' ' ' LEU . 10.2 t -90.51 165.5 13.76 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-O 121.087 0.47 . . . . 73.25 112.139 -174.147 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 15.9 m -155.71 149.29 25.02 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 115.65 -0.705 . . . . 71.23 109.913 178.88 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 69.1 t -125.56 127.05 71.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 N-CA-C 109.383 -0.599 . . . . 54.24 109.383 174.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 5.9 m -108.06 108.24 19.25 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 120.915 0.388 . . . . 72.42 110.364 179.627 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 81' ' ' ALA . . . . . 0.648 ' HB2' ' HB3' ' B' ' 55' ' ' SER . . . -93.32 106.7 18.63 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.937 -0.574 . . . . 73.43 109.593 178.123 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 82' ' ' GLU . . . . . 0.471 ' HA ' ' HA ' ' A' ' 8' ' ' ALA . 30.4 tt0 -109.18 107.58 17.9 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 109.001 -0.741 . . . . 71.23 109.001 178.203 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 83' ' ' VAL . . . . . 0.632 HG23 HG22 ' B' ' 97' ' ' VAL . 9.4 p -103.45 142.72 16.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.921 -0.581 . . . . 71.44 110.654 -173.38 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 84' ' ' GLY . . . . . 0.434 ' HA2' ' HA ' ' A' ' 6' ' ' LYS . . . -137.26 166.8 24.9 Favored Glycine 0 N--CA 1.438 -1.23 0 N-CA-C 111.489 -0.644 . . . . 52.45 111.489 178.687 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 85' ' ' ILE . . . . . 0.463 HD12 HD23 ' B' ' 36' ' ' LEU . 0.0 OUTLIER -147.95 137.98 16.68 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.935 0 N-CA-C 109.338 -0.616 . . . . 73.1 109.338 -179.436 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 86' ' ' GLY . . . . . 0.455 ' HA2' ' HG ' ' A' ' 4' ' ' LEU . . . -151.0 169.84 30.74 Favored Glycine 0 CA--C 1.517 0.208 0 O-C-N 123.899 0.75 . . . . 52.3 111.376 -178.858 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 87' ' ' PRO . . . . . 0.666 ' HD3' ' HG ' ' A' ' 4' ' ' LEU . 1.1 Cg_endo -80.27 126.17 6.11 Favored 'Trans proline' 0 N--CA 1.457 -0.654 0 C-N-CA 122.642 2.228 . . . . 61.3 111.748 -176.535 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 88' ' ' ASN . . . . . 0.402 ' HB2' ' HB2' ' B' ' 94' ' ' ALA . 24.0 t-20 -83.29 144.98 29.35 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.186 -0.672 . . . . 72.3 109.186 173.833 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -62.03 -16.16 49.76 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.486 -0.325 . . . . 65.22 111.837 -175.596 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -67.76 -22.5 65.21 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-O 121.374 0.607 . . . . 74.05 110.775 177.815 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.49 35.49 3.31 Favored Glycine 0 N--CA 1.452 -0.273 0 CA-C-N 115.718 -0.673 . . . . 72.2 112.03 -177.819 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . -143.51 -171.09 13.57 Favored Glycine 0 N--CA 1.45 -0.392 0 N-CA-C 111.026 -0.83 . . . . 70.13 111.026 177.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 93' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -100.86 144.14 30.17 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 117.206 0.503 . . . . 73.12 110.49 177.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 94' ' ' ALA . . . . . 0.402 ' HB2' ' HB2' ' B' ' 88' ' ' ASN . . . -126.7 132.09 51.23 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.929 -0.578 . . . . 62.21 109.659 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 95' ' ' LEU . . . . . 0.409 HD13 ' HB ' ' B' ' 85' ' ' ILE . 4.1 mm? -96.81 132.82 42.15 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.165 -0.47 . . . . 74.21 110.692 -177.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 96' ' ' ASP . . . . . 0.519 ' HB2' ' SD ' ' A' ' 1' ' ' MET . 35.4 t70 -121.19 110.05 15.71 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.16 -0.927 . . . . 73.53 109.273 178.35 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 97' ' ' VAL . . . . . 0.692 ' HB ' HG22 ' B' ' 134' ' ' VAL . 45.3 t -108.65 110.53 32.39 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.962 0 C-N-CA 120.688 -0.405 . . . . 65.34 110.895 -176.613 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 98' ' ' GLU . . . . . 0.449 ' HG2' ' HD3' ' B' ' 135' ' ' ARG . 46.3 mt-10 -88.28 102.7 15.1 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.465 -0.568 . . . . 74.42 109.465 175.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 13.5 tp -97.75 106.76 19.11 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.329 -0.619 . . . . 61.12 109.329 -179.09 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 100' ' ' ARG . . . . . 0.625 ' HA ' ' O ' ' B' ' 137' ' ' VAL . 74.3 mtt180 -101.47 117.54 35.15 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.451 -0.795 . . . . 64.11 111.024 -173.205 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 101' ' ' VAL . . . . . . . . . . . . . 88.5 t -102.58 107.56 22.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.886 -0.597 . . . . 60.12 110.867 -176.422 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 102' ' ' ALA . . . . . 0.435 ' HA ' ' HB3' ' B' ' 139' ' ' ALA . . . -103.59 101.52 11.39 Favored 'General case' 0 C--O 1.236 0.343 0 N-CA-C 109.756 -0.461 . . . . 53.32 109.756 176.377 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 103' ' ' LEU . . . . . 0.811 HD23 HD22 ' B' ' 106' ' ' LEU . 27.3 tp -119.34 118.19 32.64 Favored Pre-proline 0 C--N 1.327 -0.39 0 N-CA-C 109.634 -0.506 . . . . 72.24 109.634 -177.664 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 104' ' ' PRO . . . . . 0.523 ' HD2' HD12 ' B' ' 103' ' ' LEU . 60.6 Cg_endo -72.07 151.53 55.81 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.597 2.198 . . . . 74.24 112.043 -177.525 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 105' ' ' GLY . . . . . . . . . . . . . . . 72.11 15.04 76.48 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.863 -0.684 . . . . 72.34 111.971 -178.308 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 106' ' ' LEU . . . . . 0.811 HD22 HD23 ' B' ' 103' ' ' LEU . 34.2 tp -129.92 139.1 51.19 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.081 0.467 . . . . 60.53 111.33 -176.58 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -86.75 147.04 26.02 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.484 -0.78 . . . . 63.12 110.587 175.127 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -59.64 -37.56 79.01 Favored 'General case' 0 C--O 1.237 0.428 0 CA-C-N 116.29 -0.414 . . . . 34.32 111.111 -179.539 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -55.95 -51.68 66.82 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 115.896 -0.593 . . . . 64.51 110.934 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 110' ' ' ALA . . . . . 0.579 ' O ' HG22 ' B' ' 113' ' ' THR . . . -71.46 -35.76 70.96 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 115.949 -0.569 . . . . 72.03 110.477 177.678 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 111' ' ' ALA . . . . . 0.423 ' O ' HG23 ' B' ' 115' ' ' VAL . . . -54.73 -40.05 68.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.977 -0.556 . . . . 64.14 110.664 -179.875 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 112' ' ' LYS . . . . . . . . . . . . . 62.1 mttp -55.32 -39.61 70.18 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.156 -0.475 . . . . 74.45 111.46 178.567 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 113' ' ' THR . . . . . 0.579 HG22 ' O ' ' B' ' 110' ' ' ALA . 1.0 OUTLIER -79.77 -34.04 40.12 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 110.285 -0.265 . . . . 72.03 110.285 -178.67 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 114' ' ' LEU . . . . . 0.481 ' HA ' ' HD3' ' B' ' 117' ' ' ARG . 40.5 mt -65.93 -40.27 91.27 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-O 120.99 0.424 . . . . 70.23 110.494 179.059 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 115' ' ' VAL . . . . . 0.654 HG21 HG12 ' B' ' 138' ' ' VAL . 95.4 t -68.62 -32.64 55.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.868 -0.606 . . . . 63.55 110.416 177.808 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -65.04 -59.78 3.76 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 116.112 -0.495 . . . . 75.43 110.41 177.515 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 117' ' ' ARG . . . . . 0.481 ' HD3' ' HA ' ' B' ' 114' ' ' LEU . 8.8 ptm180 -58.06 -38.8 77.01 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 115.893 -0.594 . . . . 70.2 110.507 -179.275 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -59.71 -45.74 91.2 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.827 -0.624 . . . . 61.11 110.388 174.779 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 119' ' ' HIS . . . . . 0.791 ' HA ' ' HB3' ' B' ' 125' ' ' SER . 49.8 m80 -80.94 13.81 2.52 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 116.009 -0.542 . . . . 74.31 111.686 177.111 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 45.4 t-80 -104.37 -38.72 6.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.812 0.339 . . . . 61.52 110.973 176.861 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 29.5 m -88.03 -42.4 14.94 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.479 0 N-CA-C 112.792 0.664 . . . . 63.42 112.792 -173.736 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 122' ' ' CYS . . . . . . . . . . . . . 58.5 m -82.44 134.95 47.33 Favored Pre-proline 0 CA--C 1.537 0.45 0 O-C-N 122.279 -0.263 . . . . 74.53 111.31 -174.885 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 123' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_exo -53.44 -58.05 1.63 Allowed 'Trans proline' 0 C--N 1.355 0.896 0 C-N-CA 123.257 2.638 . . . . 65.25 113.147 -179.22 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 124' ' ' TYR . . . . . 0.478 ' O ' ' HB ' ' B' ' 128' ' ' THR . 6.7 m-85 -64.74 -8.58 15.39 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-O 120.956 0.408 . . . . 65.35 110.898 -178.481 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 125' ' ' SER . . . . . 0.791 ' HB3' ' HA ' ' B' ' 119' ' ' HIS . 25.3 m -99.37 -39.45 8.38 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.345 -0.389 . . . . 64.23 111.211 -178.621 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 126' ' ' ASN . . . . . 0.419 ' HA ' ' O ' ' B' ' 119' ' ' HIS . 51.4 t-20 -71.98 -52.26 17.94 Favored 'General case' 0 C--O 1.238 0.459 0 CA-C-O 121.675 0.75 . . . . 74.24 110.064 178.877 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 127' ' ' ALA . . . . . 0.602 ' O ' ' HB3' ' B' ' 131' ' ' ASN . . . -75.16 6.57 4.16 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.053 -0.976 . . . . 65.3 112.33 -175.005 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 128' ' ' THR . . . . . 0.527 HG22 ' O ' ' B' ' 125' ' ' SER . 1.9 t -102.55 -20.52 14.44 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.21 -0.663 . . . . 55.14 109.21 -177.542 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 129' ' ' ARG . . . . . 0.447 ' HG3' ' N ' ' B' ' 130' ' ' ASN . 23.5 ptt180 -106.58 -47.93 3.65 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 115.758 -0.656 . . . . 75.21 109.981 -177.577 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 130' ' ' ASN . . . . . 0.447 ' N ' ' HG3' ' B' ' 129' ' ' ARG . 86.2 m-20 -78.87 -18.93 53.12 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.287 -0.87 . . . . 74.14 111.742 -177.515 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 131' ' ' ASN . . . . . 0.602 ' HB3' ' O ' ' B' ' 127' ' ' ALA . 13.7 t-20 -113.92 -38.49 4.2 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.15 -0.477 . . . . 75.43 110.812 -177.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 132' ' ' VAL . . . . . 0.51 HG12 ' H ' ' B' ' 133' ' ' ALA . 14.5 t -114.91 170.8 4.86 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.341 0 CA-C-N 115.929 -0.578 . . . . 52.13 109.74 -175.354 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 133' ' ' ALA . . . . . 0.51 ' H ' HG12 ' B' ' 132' ' ' VAL . . . -97.61 88.92 4.48 Favored 'General case' 0 C--O 1.243 0.717 0 CA-C-O 121.828 0.823 . . . . 72.23 111.613 -177.21 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 134' ' ' VAL . . . . . 0.692 HG22 ' HB ' ' B' ' 97' ' ' VAL . 77.7 t -117.56 114.51 45.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 114.979 -1.01 . . . . 61.1 110.871 177.818 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 135' ' ' ARG . . . . . 0.449 ' HD3' ' HG2' ' B' ' 98' ' ' GLU . 74.8 ttt180 -72.49 100.0 2.62 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.136 -0.938 . . . . 74.32 109.163 173.707 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 78.8 mt -76.65 107.24 8.8 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.15 -0.477 . . . . 72.41 109.922 176.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 137' ' ' VAL . . . . . 0.625 ' O ' ' HA ' ' B' ' 100' ' ' ARG . 0.2 OUTLIER -122.83 118.24 54.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.455 -0.793 . . . . 72.22 110.343 -174.713 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 138' ' ' VAL . . . . . 0.654 HG12 HG21 ' B' ' 115' ' ' VAL . 3.1 m -99.62 138.54 23.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 115.533 -0.758 . . . . 70.52 110.747 -176.398 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 139' ' ' ALA . . . . . 0.435 ' HB3' ' HA ' ' B' ' 102' ' ' ALA . . . . . . . . 0 C--O 1.253 1.288 0 CA-C-O 118.551 -0.738 . . . . 71.35 110.45 -177.087 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.511 ' HE3' HD13 ' A' ' 3' ' ' ILE . 20.1 ptt? . . . . . 0 N--CA 1.486 1.344 0 N-CA-C 110.547 -0.168 . . . . 71.43 110.547 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 45.6 t30 -71.73 77.65 0.85 Allowed 'General case' 0 C--O 1.234 0.244 0 CA-C-O 121.298 0.571 . . . . 75.52 110.384 175.566 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.618 HG21 ' HB2' ' A' ' 6' ' ' LYS . 26.6 mm -71.29 136.37 25.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 115.339 -0.846 . . . . 51.02 111.103 174.473 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.69 ' HG ' ' HD3' ' B' ' 87' ' ' PRO . 86.5 mt -84.08 -46.78 11.61 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.044 -0.526 . . . . 74.21 109.799 175.526 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 34.1 t80 -137.34 128.22 27.32 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 116.059 -0.519 . . . . 54.43 110.296 -178.553 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.618 ' HB2' HG21 ' A' ' 3' ' ' ILE . 29.4 ttmt -136.02 142.09 44.41 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.222 0.534 . . . . 62.42 111.075 179.289 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.441 HG21 ' HB2' ' B' ' 48' ' ' GLN . 9.5 t -142.79 139.72 31.08 Favored 'General case' 0 C--O 1.238 0.458 0 CA-C-N 115.639 -0.709 . . . . 73.02 109.524 -178.471 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.536 ' HA ' ' HA ' ' B' ' 82' ' ' GLU . . . -110.63 147.76 33.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.925 0.393 . . . . 64.34 111.554 -174.58 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.709 ' HA ' ' HA ' ' A' ' 21' ' ' SER . . . -143.84 121.16 11.59 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 115.89 -0.596 . . . . 65.14 110.375 177.915 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.494 ' HA ' ' HA ' ' B' ' 80' ' ' THR . 13.5 t -99.92 130.07 46.06 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 116.091 -0.504 . . . . 73.43 109.927 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 52.6 p -117.47 113.45 22.06 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.955 -0.566 . . . . 71.32 110.006 179.443 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.6 m -97.11 163.47 12.92 Favored 'General case' 0 C--O 1.239 0.518 0 CA-C-N 115.998 -0.546 . . . . 72.12 111.377 -175.376 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.513 ' HA2' HD21 ' B' ' 59' ' ' LEU . . . -78.79 74.02 2.2 Favored Glycine 0 N--CA 1.449 -0.488 0 CA-C-N 115.893 -0.594 . . . . 62.44 112.065 175.114 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -68.47 -147.0 0.16 Allowed Glycine 0 CA--C 1.524 0.622 0 C-N-CA 121.153 -0.546 . . . . 62.02 112.089 172.744 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 17.7 tpp180 -62.06 -52.08 65.37 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 117.085 0.442 . . . . 73.04 110.289 177.692 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.535 ' HB3' ' HA ' ' A' ' 31' ' ' SER . 10.1 t0 -124.8 -42.86 2.03 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 108.62 -0.881 . . . . 74.22 108.62 177.877 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -164.81 152.76 22.58 Favored Glycine 0 C--N 1.339 0.744 0 C-N-CA 120.389 -0.91 . . . . 73.12 112.485 163.202 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.458 ' HD3' ' HB2' ' A' ' 29' ' ' LYS . 22.8 tpp180 -116.52 149.94 38.75 Favored 'General case' 0 N--CA 1.465 0.313 0 N-CA-C 109.076 -0.713 . . . . 73.24 109.076 175.007 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -146.88 123.83 11.35 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 120.747 0.308 . . . . 71.12 110.367 177.149 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 86.5 m -145.84 110.56 5.14 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.451 -0.341 . . . . 63.53 110.531 -176.542 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.709 ' HA ' ' HA ' ' A' ' 9' ' ' ALA . 30.7 t -71.1 112.07 6.95 Favored 'General case' 0 C--O 1.246 0.892 0 N-CA-C 107.642 -1.244 . . . . 62.3 107.642 177.62 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 66.9 t60 -63.77 -9.9 16.98 Favored 'General case' 0 N--CA 1.469 0.49 0 O-C-N 125.779 1.924 . . . . 71.44 111.992 -165.881 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.479 ' HB2' ' HE3' ' A' ' 25' ' ' LYS . 38.2 m-20 -80.26 12.64 2.78 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.264 -0.643 . . . . 73.43 109.264 172.793 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 33.5 mm-40 67.56 14.5 9.59 Favored 'General case' 0 C--N 1.34 0.152 0 CA-C-N 115.352 -0.84 . . . . 72.53 110.634 178.502 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.479 ' HE3' ' HB2' ' A' ' 23' ' ' ASP . 17.7 ptpt -92.71 -12.32 31.73 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 116.104 -0.498 . . . . 73.44 111.17 -177.846 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.463 ' HB3' ' CB ' ' A' ' 21' ' ' SER . 58.0 tp -146.64 139.57 25.37 Favored 'General case' 0 CA--C 1.505 -0.759 0 C-N-CA 119.595 -0.842 . . . . 74.42 111.247 173.654 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -153.02 91.66 1.56 Allowed 'General case' 0 N--CA 1.445 -0.678 0 CA-C-N 114.968 -1.015 . . . . 74.13 110.23 -178.571 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 3.3 m -145.72 178.43 1.31 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.207 0 CA-C-O 121.683 0.754 . . . . 62.12 111.523 179.044 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.458 ' HB2' ' HD3' ' A' ' 18' ' ' ARG . 1.3 tmtt? -139.89 143.22 36.57 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 114.792 -1.095 . . . . 62.42 108.837 177.621 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.558 HD21 ' HB1' ' B' ' 56' ' ' ALA . 0.0 OUTLIER -126.26 175.43 7.81 Favored 'General case' 0 C--O 1.251 1.138 0 CA-C-O 121.35 0.595 . . . . 64.12 111.522 -175.038 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.535 ' HA ' ' HB3' ' A' ' 16' ' ' ASP . 35.9 t -151.74 126.32 9.5 Favored 'General case' 0 N--CA 1.446 -0.645 0 CA-C-N 114.765 -1.107 . . . . 75.34 111.033 -176.163 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.654 ' HA ' ' HD2' ' A' ' 46' ' ' PRO . . . -61.23 142.27 93.55 Favored Pre-proline 0 N--CA 1.449 -0.5 0 N-CA-C 109.181 -0.674 . . . . 52.21 109.181 170.89 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 30.7 Cg_endo -62.28 93.74 0.13 Allowed 'Trans proline' 0 N--CA 1.459 -0.552 0 C-N-CA 121.741 1.627 . . . . 73.33 110.22 -178.107 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.5 ' HG3' ' N ' ' A' ' 40' ' ' GLY . 2.3 tmt_? -69.77 77.3 0.45 Allowed 'General case' 0 N--CA 1.455 -0.184 0 CA-C-O 122.005 0.907 . . . . 50.12 110.474 -173.172 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -136.59 -35.45 0.73 Allowed 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 113.958 -1.473 . . . . 75.14 108.539 175.47 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.432 HD21 ' HB2' ' B' ' 4' ' ' LEU . 6.4 mp -106.46 -52.97 2.7 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 115.143 -0.935 . . . . 63.44 110.144 -176.562 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -169.1 61.88 0.19 Allowed Glycine 0 C--N 1.337 0.595 0 C-N-CA 120.476 -0.869 . . . . 72.22 113.609 177.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -110.26 -140.24 8.52 Favored Glycine 0 C--N 1.336 0.583 0 N-CA-C 111.324 -0.711 . . . . 73.44 111.324 173.391 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -133.45 -22.72 1.93 Allowed 'General case' 0 N--CA 1.472 0.628 0 N-CA-C 111.99 0.367 . . . . 63.22 111.99 -176.245 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.5 ' N ' ' HG3' ' A' ' 34' ' ' ARG . . . 95.26 100.47 1.79 Allowed Glycine 0 C--N 1.332 0.324 0 C-N-CA 121.317 -0.468 . . . . 45.53 113.276 178.225 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.472 ' HB3' ' HB2' ' A' ' 31' ' ' SER . . . -168.07 168.98 11.5 Favored 'General case' 0 C--O 1.234 0.269 0 C-N-CA 122.56 0.344 . . . . 44.21 110.108 174.745 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.403 ' O ' ' HG3' ' A' ' 42' ' ' GLU . 11.8 pt-20 -95.82 98.38 10.39 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.924 0.869 . . . . 71.23 109.171 172.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -156.82 -167.31 17.81 Favored Glycine 0 C--N 1.311 -0.852 0 CA-C-N 114.819 -1.082 . . . . 55.55 111.759 177.474 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.519 ' O ' ' HB2' ' A' ' 30' ' ' LEU . 20.6 p -91.27 146.64 23.65 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 110.126 -0.324 . . . . 74.01 110.126 -179.003 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 11.1 m120 -82.82 126.39 73.1 Favored Pre-proline 0 C--N 1.327 -0.398 0 N-CA-C 109.545 -0.539 . . . . 72.33 109.545 -177.641 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.654 ' HD2' ' HA ' ' A' ' 32' ' ' ALA . 9.6 Cg_endo -50.57 -44.4 40.28 Favored 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 123.209 2.606 . . . . 63.04 112.985 -176.884 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -60.57 -48.78 80.25 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-O 121.76 0.791 . . . . 62.13 109.187 179.174 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.551 ' OE1' HG23 ' B' ' 7' ' ' THR . 13.9 tp60 -68.05 -30.61 69.86 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 114.752 -1.113 . . . . 72.35 110.791 -179.258 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.556 HD12 ' HA3' ' B' ' 53' ' ' GLY . 2.5 tm? -66.48 -46.63 75.66 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.951 -0.759 . . . . 71.11 108.951 -178.439 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 18.4 t80 -60.96 -49.51 77.15 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.081 -0.509 . . . . 64.45 109.952 173.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.402 ' HB1' ' HB1' ' A' ' 81' ' ' ALA . . . -54.73 -41.97 71.01 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 115.987 -0.551 . . . . 52.03 111.077 178.875 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -71.33 -48.37 50.78 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 116.298 -0.41 . . . . 51.43 110.818 -178.251 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.546 ' HA3' HD12 ' B' ' 49' ' ' LEU . . . -60.71 -39.85 97.23 Favored Glycine 0 N--CA 1.451 -0.326 0 CA-C-N 115.896 -0.593 . . . . 45.35 111.996 179.715 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -72.03 -40.48 68.41 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 110.013 -0.366 . . . . 71.4 110.013 178.327 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 11.6 t -58.86 -40.05 83.16 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.138 0.494 . . . . 50.31 109.701 178.388 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.524 ' HB1' HD21 ' B' ' 30' ' ' LEU . . . -75.41 -41.2 56.63 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 115.762 -0.654 . . . . 72.41 110.664 177.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 40.1 t -58.64 -36.44 74.12 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.965 -0.561 . . . . 74.4 110.077 177.431 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 23.2 t80 -59.86 -36.69 77.39 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.839 -0.618 . . . . 64.12 110.204 -178.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 95.2 mt -64.03 -45.25 89.72 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.818 -0.628 . . . . 74.12 109.982 176.299 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.468 ' O ' ' HB3' ' A' ' 63' ' ' LYS . 9.2 t -67.33 -33.53 75.45 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-N 115.872 -0.604 . . . . 74.4 110.298 -179.703 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.423 ' O ' HG23 ' A' ' 65' ' ' VAL . . . -65.44 -51.06 62.87 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.115 -0.493 . . . . 64.15 109.99 177.036 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.9 -32.17 73.39 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.254 -0.43 . . . . 61.32 110.619 177.108 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.468 ' HB3' ' O ' ' A' ' 60' ' ' SER . 40.2 tttp -58.36 -51.99 67.48 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.799 -0.637 . . . . 62.32 109.996 174.74 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 54.7 t80 -69.83 -42.92 72.99 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 115.73 -0.668 . . . . 70.35 110.921 -177.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.423 HG23 ' O ' ' A' ' 61' ' ' ALA . 54.6 t -56.97 -52.08 60.36 Favored 'Isoleucine or valine' 0 C--O 1.233 0.196 0 CA-C-O 120.781 0.324 . . . . 51.41 110.194 178.881 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -57.95 -34.97 70.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.283 0.563 . . . . 55.45 109.639 177.338 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -68.47 -31.06 73.41 Favored Glycine 0 N--CA 1.451 -0.324 0 CA-C-N 114.907 -1.042 . . . . 65.01 112.251 -177.368 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -95.42 -15.23 23.15 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.192 -0.669 . . . . 73.33 109.192 -179.747 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -94.3 2.0 55.88 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 115.081 -0.963 . . . . 73.35 110.51 176.408 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.459 ' N ' ' HD3' ' A' ' 70' ' ' LYS . 19.6 mmtm 64.66 23.11 12.74 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.41 -0.814 . . . . 70.5 110.863 171.682 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -117.75 165.89 13.09 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.239 -0.892 . . . . 65.11 109.511 178.687 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 15.6 p -126.72 141.41 51.85 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 116.434 -0.348 . . . . 71.13 110.291 176.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.508 HD22 HD21 ' A' ' 103' ' ' LEU . 89.5 mt -107.85 144.07 28.59 Favored Pre-proline 0 C--N 1.324 -0.526 0 CA-C-N 115.953 -0.567 . . . . 63.13 109.542 179.558 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.417 ' O ' HG22 ' A' ' 77' ' ' THR . 52.8 Cg_exo -56.5 134.31 63.55 Favored 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 122.738 2.292 . . . . 75.32 112.214 -179.35 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -76.98 -1.47 28.93 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-O 121.322 0.582 . . . . 74.43 110.936 179.384 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -85.55 2.61 44.18 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.458 -0.792 . . . . 72.44 110.689 179.16 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.494 ' HB ' HD12 ' A' ' 103' ' ' LEU . 10.3 t -77.52 160.68 28.46 Favored 'General case' 0 C--O 1.238 0.48 0 CA-C-N 115.574 -0.739 . . . . 73.42 111.919 -175.915 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 32.3 m -154.93 149.42 26.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.71 -0.677 . . . . 65.01 110.13 179.291 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 97.5 t -127.33 140.24 49.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 N-CA-C 108.687 -0.857 . . . . 73.54 108.687 176.526 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 60.6 m -128.6 114.65 16.96 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.784 0.325 . . . . 61.0 110.829 -178.79 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.402 ' HB1' ' HB1' ' A' ' 51' ' ' ALA . . . -94.57 104.59 16.54 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.038 -0.528 . . . . 75.0 110.048 177.003 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.523 ' HB3' ' HB3' ' A' ' 98' ' ' GLU . 42.3 tt0 -101.31 107.75 19.2 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.674 -0.693 . . . . 74.0 109.426 179.272 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.546 HG23 HG22 ' A' ' 97' ' ' VAL . 8.0 p -107.98 139.77 28.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 121.076 0.465 . . . . 74.25 111.465 -171.623 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -134.73 157.32 22.92 Favored Glycine 0 N--CA 1.446 -0.689 0 N-CA-C 111.338 -0.705 . . . . 64.22 111.338 176.01 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.409 HD11 ' CD2' ' A' ' 93' ' ' PHE . 0.0 OUTLIER -136.22 132.66 49.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 N-CA-C 109.505 -0.554 . . . . 71.32 109.505 -179.522 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 86' ' ' GLY . . . . . 0.528 ' HA2' ' HG ' ' B' ' 4' ' ' LEU . . . -145.77 170.0 27.11 Favored Glycine 0 C--N 1.333 0.405 0 O-C-N 123.926 0.766 . . . . 64.2 111.309 -176.175 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.634 ' HD3' ' HG ' ' B' ' 4' ' ' LEU . 1.1 Cg_endo -79.86 128.9 7.81 Favored 'Trans proline' 0 N--CA 1.46 -0.45 0 C-N-CA 122.824 2.349 . . . . 75.13 111.999 -177.327 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ASN . . . . . 0.495 ' HB2' ' HB2' ' A' ' 94' ' ' ALA . 51.5 t30 -79.52 147.94 32.0 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 109.551 -0.536 . . . . 63.43 109.551 174.662 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -62.8 -9.55 9.85 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.066 0.46 . . . . 74.31 111.775 -177.531 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -75.84 -21.1 57.59 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.961 -0.563 . . . . 62.35 111.267 177.284 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.2 23.09 8.27 Favored Glycine 0 CA--C 1.516 0.135 0 N-CA-C 111.601 -0.6 . . . . 52.42 111.601 -176.169 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -131.51 -159.0 9.32 Favored Glycine 0 N--CA 1.451 -0.338 0 N-CA-C 111.02 -0.832 . . . . 74.12 111.02 178.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.409 ' CD2' HD11 ' A' ' 85' ' ' ILE . 59.3 m-85 -104.75 155.47 18.86 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 117.068 0.434 . . . . 72.25 110.7 179.254 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.495 ' HB2' ' HB2' ' A' ' 88' ' ' ASN . . . -142.46 141.59 32.19 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.499 -0.773 . . . . 73.43 109.495 179.831 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -102.32 146.87 27.41 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.069 0.462 . . . . 75.45 110.931 -178.333 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -134.9 110.33 9.07 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 108.205 -1.035 . . . . 62.1 108.205 176.085 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.835 ' HB ' HG22 ' A' ' 134' ' ' VAL . 45.5 t -112.14 110.64 32.94 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-O 121.057 0.456 . . . . 41.42 111.102 -177.133 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.523 ' HB3' ' HB3' ' A' ' 82' ' ' GLU . 32.3 tp10 -85.52 98.02 10.38 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 108.43 -0.952 . . . . 51.52 108.43 175.794 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 23.7 tp -96.63 107.04 19.41 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-O 121.07 0.462 . . . . 73.33 110.099 -176.797 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.514 ' HA ' ' O ' ' A' ' 137' ' ' VAL . 20.0 ttt85 -100.34 119.96 39.22 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.123 -0.944 . . . . 73.43 110.581 -172.664 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 46.8 t -111.16 102.18 13.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 N-CA-C 110.393 -0.225 . . . . 72.23 110.393 -176.84 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -98.9 101.63 13.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.799 0.333 . . . . 73.1 110.537 -179.197 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.888 HD23 HD22 ' A' ' 106' ' ' LEU . 36.1 tp -116.77 118.96 36.12 Favored Pre-proline 0 C--N 1.328 -0.346 0 N-CA-C 108.936 -0.765 . . . . 73.31 108.936 177.617 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' PRO . . . . . 0.568 ' HD2' HD12 ' A' ' 103' ' ' LEU . 66.0 Cg_endo -75.21 152.13 39.44 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.605 2.203 . . . . 73.52 112.473 -175.847 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 70.91 15.2 73.83 Favored Glycine 0 CA--C 1.521 0.432 0 CA-C-N 115.795 -0.639 . . . . 54.45 112.335 -179.063 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.888 HD22 HD23 ' A' ' 103' ' ' LEU . 31.8 tp -119.02 144.28 46.61 Favored 'General case' 0 C--O 1.236 0.377 0 C-N-CA 122.956 0.502 . . . . 65.03 111.165 -174.784 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' ASP . . . . . 0.438 ' HB3' ' H ' ' A' ' 110' ' ' ALA . 2.5 t70 -77.81 162.01 27.22 Favored 'General case' 0 CA--C 1.513 -0.47 0 CA-C-N 116.182 -0.463 . . . . 72.42 110.269 176.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.522 ' O ' ' HG2' ' A' ' 112' ' ' LYS . . . -65.94 -45.7 80.84 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 115.269 -0.878 . . . . 74.35 109.981 170.04 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -62.92 -49.54 74.39 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 115.658 -0.701 . . . . 64.13 110.715 -177.052 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.557 ' O ' HG22 ' A' ' 113' ' ' THR . . . -65.06 -41.87 94.73 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.654 -0.703 . . . . 73.25 109.724 179.461 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 111' ' ' ALA . . . . . 0.462 ' HA ' HD21 ' A' ' 106' ' ' LEU . . . -54.77 -45.99 74.33 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.842 -0.617 . . . . 54.13 111.008 176.465 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.522 ' HG2' ' O ' ' A' ' 108' ' ' ALA . 32.5 mmtp -51.99 -38.09 55.49 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 115.794 -0.639 . . . . 74.23 111.324 178.837 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 113' ' ' THR . . . . . 0.557 HG22 ' O ' ' A' ' 110' ' ' ALA . 0.7 OUTLIER -82.07 -35.42 28.7 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 121.162 -0.215 . . . . 74.22 110.957 -177.787 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.501 ' HG ' ' O ' ' A' ' 110' ' ' ALA . 44.2 mt -63.16 -50.83 68.85 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 121.122 0.486 . . . . 61.01 109.979 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.541 HG21 HG12 ' A' ' 138' ' ' VAL . 58.6 t -61.97 -32.82 55.47 Favored 'Isoleucine or valine' 0 C--O 1.238 0.488 0 CA-C-N 115.518 -0.764 . . . . 72.22 110.353 179.013 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -65.99 -60.69 2.59 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 115.967 -0.56 . . . . 63.5 110.891 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' ARG . . . . . 0.513 ' HG2' ' O ' ' A' ' 113' ' ' THR . 12.6 ptm180 -60.04 -38.35 82.47 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 116.395 -0.366 . . . . 65.24 110.129 -177.17 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -57.05 -49.99 74.14 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.874 -0.603 . . . . 63.41 110.075 175.445 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' HIS . . . . . 0.723 ' HB3' ' HD2' ' A' ' 129' ' ' ARG . 46.5 m80 -74.95 4.38 6.66 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.127 -0.488 . . . . 74.13 111.961 177.713 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 23.1 t-80 -108.5 -32.83 7.25 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.817 -0.174 . . . . 75.14 111.329 179.431 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.42 HG22 ' O ' ' A' ' 117' ' ' ARG . 29.2 m -104.72 -19.68 6.24 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.535 0 N-CA-C 113.068 0.766 . . . . 74.54 113.068 -173.325 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 122' ' ' CYS . . . . . 0.527 ' HB2' ' HB2' ' A' ' 125' ' ' SER . 78.7 m -81.29 140.85 49.09 Favored Pre-proline 0 CA--C 1.54 0.578 0 O-C-N 122.319 -0.238 . . . . 72.12 111.33 -177.187 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 6.7 Cg_endo -46.87 -61.79 0.55 Allowed 'Trans proline' 0 C--N 1.358 1.049 0 C-N-CA 124.213 3.275 . . . . 74.45 114.028 -170.05 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -113.05 47.46 1.11 Allowed 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 121.716 0.77 . . . . 65.44 110.581 -179.814 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 125' ' ' SER . . . . . 0.602 ' O ' HG22 ' A' ' 128' ' ' THR . 68.5 m -115.05 -28.52 6.97 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.192 -0.913 . . . . 62.44 110.327 173.59 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 31.6 p-10 -72.21 -32.52 66.84 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 108.969 -0.752 . . . . 73.42 108.969 173.876 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 127' ' ' ALA . . . . . 0.517 ' O ' ' HB3' ' A' ' 131' ' ' ASN . . . -63.35 -17.33 62.48 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.003 -0.999 . . . . 54.1 112.047 177.848 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 128' ' ' THR . . . . . 0.602 HG22 ' O ' ' A' ' 125' ' ' SER . 1.0 OUTLIER -97.27 -11.84 23.65 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.268 -0.642 . . . . 73.21 109.268 -171.012 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 129' ' ' ARG . . . . . 0.723 ' HD2' ' HB3' ' A' ' 119' ' ' HIS . 15.4 ptm180 -114.06 -47.67 2.94 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.441 -0.8 . . . . 72.04 110.267 -176.663 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 130' ' ' ASN . . . . . 0.413 ' N ' ' HG3' ' A' ' 129' ' ' ARG . 83.6 m-20 -78.84 -26.03 44.1 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.55 -0.75 . . . . 71.52 111.505 -178.171 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 131' ' ' ASN . . . . . 0.517 ' HB3' ' O ' ' A' ' 127' ' ' ALA . 0.2 OUTLIER -115.31 -32.18 5.72 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 115.726 -0.67 . . . . 72.12 110.856 -173.136 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 132' ' ' VAL . . . . . 0.478 ' HB ' ' HA ' ' A' ' 128' ' ' THR . 65.5 t -116.85 154.43 18.49 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.392 0 CA-C-N 116.374 -0.375 . . . . 70.22 110.358 -175.861 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -87.26 95.21 9.9 Favored 'General case' 0 C--O 1.24 0.594 0 CA-C-O 121.733 0.778 . . . . 45.42 111.534 -178.54 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 134' ' ' VAL . . . . . 0.835 HG22 ' HB ' ' A' ' 97' ' ' VAL . 69.9 t -125.33 119.9 56.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.096 -0.957 . . . . 75.02 110.845 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 4.6 tpp180 -78.84 111.55 15.1 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.274 -0.639 . . . . 72.41 109.274 173.597 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 75.7 mt -83.52 101.44 11.43 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.522 0.677 . . . . 50.04 110.71 178.439 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 137' ' ' VAL . . . . . 0.514 ' O ' ' HA ' ' A' ' 100' ' ' ARG . 0.2 OUTLIER -110.29 114.58 47.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 114.816 -1.084 . . . . 74.42 110.081 -177.826 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 138' ' ' VAL . . . . . 0.541 HG12 HG21 ' A' ' 115' ' ' VAL . 3.2 m -93.69 138.83 19.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 115.607 -0.724 . . . . 53.11 109.852 -178.871 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.315 -0.902 0 CA-C-N 115.656 -0.702 . . . . 73.13 110.74 -176.16 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 19.4 ptt? . . . . . 0 C--O 1.236 0.361 0 CA-C-O 120.894 0.378 . . . . 72.42 110.859 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 44.0 t30 -75.64 72.23 2.58 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.418 0.628 . . . . 61.35 110.537 177.165 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 3' ' ' ILE . . . . . 0.538 HG21 ' HB2' ' B' ' 6' ' ' LYS . 31.9 mm -67.97 133.01 32.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.583 -0.735 . . . . 72.42 111.492 175.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.634 ' HG ' ' HD3' ' A' ' 87' ' ' PRO . 86.6 mt -87.57 -49.76 6.97 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.584 -0.735 . . . . 75.25 109.849 174.377 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 5' ' ' TYR . . . . . . . . . . . . . 16.9 t80 -132.11 131.09 42.01 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.875 -0.602 . . . . 75.45 109.699 -178.004 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 6' ' ' LYS . . . . . 0.538 ' HB2' HG21 ' B' ' 3' ' ' ILE . 38.0 ttmt -135.85 149.57 49.09 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.056 0.455 . . . . 65.01 110.95 176.535 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 7' ' ' THR . . . . . 0.551 HG23 ' OE1' ' A' ' 48' ' ' GLN . 8.5 t -154.57 168.07 27.99 Favored 'General case' 0 CA--C 1.536 0.424 0 N-CA-C 108.636 -0.875 . . . . 72.52 108.636 178.352 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 8' ' ' ALA . . . . . 0.433 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . . . -136.24 150.84 49.15 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-O 121.14 0.495 . . . . 64.22 111.828 -174.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 9' ' ' ALA . . . . . 0.572 ' HA ' ' H ' ' B' ' 22' ' ' HIS . . . -136.44 125.21 23.94 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.986 -0.552 . . . . 31.45 110.483 175.453 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 61.3 m -105.85 116.26 31.64 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.543 -0.753 . . . . 64.31 110.221 -178.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 74.0 p -104.42 113.38 26.9 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 110.109 -0.33 . . . . 74.14 110.109 175.37 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 8.1 m -98.51 160.52 14.22 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.414 -0.357 . . . . 53.42 110.557 179.787 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -77.95 75.93 1.82 Allowed Glycine 0 N--CA 1.443 -0.835 0 C-N-CA 120.883 -0.675 . . . . 71.12 111.587 173.571 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -61.13 -107.53 0.01 OUTLIER Glycine 0 C--N 1.334 0.436 0 C-N-CA 121.355 -0.45 . . . . 73.4 112.122 174.075 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 15' ' ' ARG . . . . . 0.44 ' HA ' ' HD2' ' B' ' 15' ' ' ARG . 14.2 tpt180 -86.16 -54.53 4.41 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 117.332 0.566 . . . . 65.14 109.568 174.194 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -125.55 -42.86 1.92 Allowed 'General case' 0 N--CA 1.463 0.216 0 N-CA-C 109.231 -0.655 . . . . 65.33 109.231 171.646 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -153.61 146.47 14.82 Favored Glycine 0 C--N 1.336 0.566 0 N-CA-C 111.01 -0.836 . . . . 74.22 111.01 165.347 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 18' ' ' ARG . . . . . 0.463 ' HA ' ' HA ' ' B' ' 29' ' ' LYS . 0.9 OUTLIER -136.32 105.08 5.84 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 108.999 -0.741 . . . . 74.4 108.999 179.513 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -98.52 123.96 42.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.3 -0.409 . . . . 64.21 110.23 -174.427 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 22.6 m -130.27 114.58 15.82 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.242 -0.435 . . . . 75.11 111.015 -177.163 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 21' ' ' SER . . . . . 0.526 ' HB3' ' N ' ' B' ' 26' ' ' LEU . 34.7 t -66.48 108.04 2.26 Favored 'General case' 0 C--O 1.244 0.813 0 N-CA-C 106.781 -1.563 . . . . 74.21 106.781 174.181 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 22' ' ' HIS . . . . . 0.572 ' H ' ' HA ' ' B' ' 9' ' ' ALA . 51.1 t-80 -55.61 -21.31 17.04 Favored 'General case' 0 N--CA 1.467 0.393 0 O-C-N 125.679 1.862 . . . . 73.12 112.983 -162.419 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 23' ' ' ASP . . . . . 0.519 ' HB2' ' HE2' ' B' ' 25' ' ' LYS . 1.7 m-20 -80.28 19.48 0.75 Allowed 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 110.058 -0.349 . . . . 63.54 110.058 178.527 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 30.4 mm-40 62.75 23.15 13.8 Favored 'General case' 0 C--O 1.231 0.122 0 CA-C-N 115.977 -0.556 . . . . 71.43 109.884 -178.112 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 25' ' ' LYS . . . . . 0.519 ' HE2' ' HB2' ' B' ' 23' ' ' ASP . 51.9 mtmt -86.93 -25.71 24.24 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 115.498 -0.774 . . . . 41.25 110.756 -179.603 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 26' ' ' LEU . . . . . 0.526 ' N ' ' HB3' ' B' ' 21' ' ' SER . 48.0 tp -149.33 147.76 28.71 Favored 'General case' 0 CA--C 1.508 -0.647 0 C-N-CA 120.66 -0.416 . . . . 71.52 110.976 177.766 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 13.1 p-10 -158.85 90.85 1.01 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.5 -0.773 . . . . 53.33 110.302 -177.566 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 8.1 m -141.17 176.32 4.73 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.466 0 CA-C-O 121.573 0.701 . . . . 74.12 112.19 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.463 ' HA ' ' HA ' ' B' ' 18' ' ' ARG . 4.0 ttpm? -125.82 142.98 51.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 114.671 -1.15 . . . . 64.31 110.689 -177.474 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 30' ' ' LEU . . . . . 0.812 ' HA ' ' H ' ' B' ' 44' ' ' THR . 0.0 OUTLIER -130.66 166.76 20.01 Favored 'General case' 0 C--O 1.248 1.0 0 CA-C-N 116.057 -0.519 . . . . 72.32 110.134 174.183 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 31' ' ' SER . . . . . 0.514 ' OG ' ' HB3' ' B' ' 41' ' ' ALA . 34.1 m -150.73 149.6 30.0 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 115.801 -0.636 . . . . 62.35 111.204 -178.637 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -75.74 140.63 71.31 Favored Pre-proline 0 C--O 1.239 0.551 0 CA-C-N 115.784 -0.644 . . . . 75.13 110.868 177.503 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 33' ' ' PRO . . . . . 0.511 ' HG3' HD22 ' B' ' 45' ' ' ASN . 43.9 Cg_exo -56.03 117.59 4.25 Favored 'Trans proline' 0 C--N 1.352 0.726 0 C-N-CA 122.897 2.398 . . . . 71.3 111.584 179.707 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 34' ' ' ARG . . . . . 0.487 ' HA ' ' H ' ' B' ' 38' ' ' GLY . 62.9 ttt180 -71.33 -16.36 62.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.348 0.594 . . . . 71.43 110.751 -175.376 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 35' ' ' GLU . . . . . 0.446 ' CD ' ' H ' ' B' ' 35' ' ' GLU . 5.9 mp0 -57.72 -27.37 62.91 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 114.827 -1.079 . . . . 72.42 110.124 178.16 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 4.8 mp -111.95 19.23 18.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.217 -0.901 . . . . 63.52 110.056 -173.104 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 83.34 65.1 1.6 Allowed Glycine 0 C--N 1.332 0.33 0 N-CA-C 111.505 -0.638 . . . . 51.22 111.505 -176.455 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 38' ' ' GLY . . . . . 0.487 ' H ' ' HA ' ' B' ' 34' ' ' ARG . . . -120.26 -131.46 4.13 Favored Glycine 0 C--N 1.329 0.194 0 C-N-CA 121.133 -0.556 . . . . 64.12 112.507 -174.477 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -120.61 -35.04 3.46 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 120.851 0.358 . . . . 71.25 110.798 179.384 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 40' ' ' GLY . . . . . 0.422 ' CA ' ' HB2' ' B' ' 34' ' ' ARG . . . 70.15 29.14 70.7 Favored Glycine 0 C--N 1.333 0.38 0 C-N-CA 121.055 -0.593 . . . . 53.13 113.183 178.357 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 41' ' ' ALA . . . . . 0.514 ' HB3' ' OG ' ' B' ' 31' ' ' SER . . . -82.1 157.35 24.12 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.801 -0.444 . . . . 45.11 109.801 176.506 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -74.27 74.16 1.82 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.705 0.764 . . . . 74.14 110.513 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -133.0 -160.03 9.36 Favored Glycine 0 N--CA 1.453 -0.212 0 CA-C-N 114.994 -1.003 . . . . 72.12 111.565 178.105 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 44' ' ' THR . . . . . 0.812 ' H ' ' HA ' ' B' ' 30' ' ' LEU . 51.9 p -113.47 164.87 13.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.788 0.294 . . . . 35.03 110.81 -178.816 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 45' ' ' ASN . . . . . 0.511 HD22 ' HG3' ' B' ' 33' ' ' PRO . 12.2 m120 -85.9 127.06 63.8 Favored Pre-proline 0 C--N 1.329 -0.298 0 N-CA-C 109.708 -0.479 . . . . 71.14 109.708 178.613 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 46' ' ' PRO . . . . . . . . . . . . . 14.6 Cg_endo -56.36 -50.76 11.0 Favored 'Trans proline' 0 C--N 1.35 0.637 0 C-N-CA 122.814 2.343 . . . . 54.41 112.26 -178.346 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -55.69 -37.07 67.85 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-O 121.256 0.551 . . . . 73.03 110.428 179.461 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 48' ' ' GLN . . . . . 0.447 ' OE1' ' HB2' ' A' ' 21' ' ' SER . 0.9 OUTLIER -65.45 -42.42 92.37 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.672 -0.694 . . . . 65.22 110.12 177.952 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 49' ' ' LEU . . . . . 0.546 HD12 ' HA3' ' A' ' 53' ' ' GLY . 2.3 tm? -61.86 -43.46 98.79 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.692 -0.685 . . . . 73.15 109.372 -178.123 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 25.3 t80 -62.51 -45.98 90.53 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 115.866 -0.606 . . . . 74.53 110.487 175.645 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 51' ' ' ALA . . . . . 0.539 ' HB2' HG11 ' B' ' 83' ' ' VAL . . . -56.51 -53.21 60.2 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.216 -0.447 . . . . 63.22 111.606 179.473 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -61.06 -40.34 93.28 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 116.05 -0.523 . . . . 74.31 110.367 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 53' ' ' GLY . . . . . 0.556 ' HA3' HD12 ' A' ' 49' ' ' LEU . . . -62.29 -48.04 85.35 Favored Glycine 0 N--CA 1.448 -0.531 0 CA-C-N 115.642 -0.708 . . . . 73.22 112.429 177.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -63.54 -44.14 95.05 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 110.283 -0.265 . . . . 73.14 110.283 -178.285 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 55' ' ' SER . . . . . 0.504 ' OG ' ' HB2' ' B' ' 81' ' ' ALA . 30.5 m -63.9 -51.97 62.07 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.777 0.323 . . . . 71.55 110.774 -179.041 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 56' ' ' ALA . . . . . 0.558 ' HB1' HD21 ' A' ' 30' ' ' LEU . . . -62.48 -35.41 79.26 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.168 -0.469 . . . . 72.32 110.556 179.023 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 57' ' ' CYS . . . . . 0.564 ' SG ' ' HB2' ' A' ' 46' ' ' PRO . 45.7 t -68.91 -37.08 78.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.848 -0.615 . . . . 72.4 110.273 177.74 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 30.6 t80 -67.92 -25.98 65.74 Favored 'General case' 0 N--CA 1.452 -0.36 0 N-CA-C 109.5 -0.556 . . . . 52.32 109.5 -176.233 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 59' ' ' LEU . . . . . 0.513 HD21 ' HA2' ' A' ' 13' ' ' GLY . 66.1 tp -62.21 -52.79 62.36 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 115.684 -0.689 . . . . 64.41 109.944 174.004 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 60' ' ' SER . . . . . 0.437 ' O ' ' HB3' ' B' ' 63' ' ' LYS . 19.1 t -66.94 -37.51 84.43 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 115.916 -0.584 . . . . 73.23 110.519 -179.249 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -62.45 -46.91 86.38 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.969 0.414 . . . . 44.1 110.192 176.701 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 62' ' ' MET . . . . . . . . . . . . . 3.1 tpt -64.02 -33.79 76.54 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.738 -0.665 . . . . 71.0 109.786 178.456 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 63' ' ' LYS . . . . . 0.437 ' HB3' ' O ' ' B' ' 60' ' ' SER . 46.7 tptt -60.19 -51.99 67.22 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 115.413 -0.812 . . . . 72.03 110.205 176.66 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 81.6 t80 -64.35 -45.01 89.65 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 115.582 -0.735 . . . . 73.11 110.772 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 55.4 t -57.5 -41.86 79.73 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-N 116.311 -0.404 . . . . 75.05 110.629 178.419 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 66' ' ' ALA . . . . . 0.418 ' HA ' ' HB2' ' B' ' 69' ' ' ASN . . . -53.8 -31.17 48.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.119 -0.492 . . . . 74.13 110.693 176.518 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -67.23 -39.51 92.27 Favored Glycine 0 C--N 1.331 0.296 0 CA-C-N 115.824 -0.625 . . . . 75.04 111.989 -179.5 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -90.44 -9.9 45.78 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.633 0.73 . . . . 64.5 109.38 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 69' ' ' ASN . . . . . 0.546 ' HB3' ' HG2' ' B' ' 71' ' ' GLN . 0.9 OUTLIER -92.23 -1.17 57.28 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 114.85 -1.068 . . . . 65.21 110.37 174.315 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 1.8 mptp? 61.19 24.44 14.54 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 115.944 -0.571 . . . . 73.12 111.365 174.691 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 71' ' ' GLN . . . . . 0.546 ' HG2' ' HB3' ' B' ' 69' ' ' ASN . 3.1 pt20 -124.61 161.24 26.66 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.003 -0.544 . . . . 74.24 110.669 -176.538 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 14.9 p -119.9 132.72 55.63 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.938 -0.574 . . . . 74.12 109.929 175.596 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -109.24 147.2 35.49 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.308 -0.405 . . . . 75.15 110.66 -179.051 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 74' ' ' PRO . . . . . 0.655 ' HD2' HD11 ' B' ' 103' ' ' LEU . 31.2 Cg_exo -59.99 137.06 73.56 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.699 2.266 . . . . 62.01 112.447 178.84 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -76.9 -24.66 52.5 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.758 0.79 . . . . 71.53 110.882 178.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 37.1 m-20 -80.74 21.9 0.63 Allowed 'General case' 0 C--N 1.313 -0.988 0 CA-C-N 114.599 -1.182 . . . . 60.22 111.488 -171.74 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 77' ' ' THR . . . . . 0.524 ' HB ' HD12 ' B' ' 103' ' ' LEU . 7.6 t -88.92 172.98 8.76 Favored 'General case' 0 C--O 1.237 0.421 0 C-N-CA 122.656 0.382 . . . . 73.25 111.791 -175.348 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 16.6 m -152.63 149.27 28.26 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-O 121.057 0.456 . . . . 71.23 110.964 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 72.9 t -131.42 121.05 47.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 N-CA-C 109.069 -0.715 . . . . 54.24 109.069 174.078 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 80' ' ' THR . . . . . 0.494 ' HA ' ' HA ' ' A' ' 10' ' ' THR . 23.7 m -107.18 109.22 20.98 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 116.439 -0.346 . . . . 72.42 110.851 -177.761 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 81' ' ' ALA . . . . . 0.504 ' HB2' ' OG ' ' B' ' 55' ' ' SER . . . -96.66 114.81 26.48 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.435 -0.348 . . . . 73.43 110.393 178.275 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 82' ' ' GLU . . . . . 0.536 ' HA ' ' HA ' ' A' ' 8' ' ' ALA . 41.8 tt0 -112.53 107.99 16.93 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.454 -0.572 . . . . 71.23 109.454 177.759 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 83' ' ' VAL . . . . . 0.562 HG12 HG22 ' B' ' 97' ' ' VAL . 27.3 m -104.17 146.59 11.4 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.258 0 CA-C-N 116.214 -0.448 . . . . 71.44 111.271 -174.754 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 84' ' ' GLY . . . . . 0.413 ' HA2' ' HA ' ' A' ' 6' ' ' LYS . . . -142.28 161.95 27.25 Favored Glycine 0 N--CA 1.442 -0.957 0 CA-C-N 115.858 -0.61 . . . . 52.45 111.607 178.824 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -132.7 130.79 59.51 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 N-CA-C 108.659 -0.867 . . . . 73.1 108.659 178.091 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 86' ' ' GLY . . . . . 0.466 ' HA2' ' HG ' ' A' ' 4' ' ' LEU . . . -150.5 169.71 30.4 Favored Glycine 0 N--CA 1.451 -0.322 0 CA-C-N 115.706 -0.679 . . . . 52.3 111.511 -178.414 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 87' ' ' PRO . . . . . 0.69 ' HD3' ' HG ' ' A' ' 4' ' ' LEU . 7.8 Cg_exo -71.89 125.38 10.95 Favored 'Trans proline' 0 C--N 1.344 0.3 0 C-N-CA 122.792 2.328 . . . . 61.3 111.77 -178.444 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 88' ' ' ASN . . . . . 0.424 ' HB2' ' HB2' ' B' ' 94' ' ' ALA . 51.9 t-20 -77.24 146.33 36.99 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.149 -0.686 . . . . 72.3 109.149 176.171 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -62.66 -13.55 33.23 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-O 121.202 0.525 . . . . 65.22 110.863 178.891 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -67.41 -22.61 65.53 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 115.329 -0.851 . . . . 74.05 111.254 175.492 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.1 23.41 8.14 Favored Glycine 0 C--O 1.235 0.21 0 N-CA-C 111.66 -0.576 . . . . 72.2 111.66 -176.12 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . -137.36 -144.33 4.73 Favored Glycine 0 N--CA 1.452 -0.253 0 N-CA-C 111.107 -0.797 . . . . 70.13 111.107 178.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 93' ' ' PHE . . . . . . . . . . . . . 63.2 m-85 -111.04 167.91 9.89 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 117.117 0.459 . . . . 73.12 110.533 178.156 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 94' ' ' ALA . . . . . 0.424 ' HB2' ' HB2' ' B' ' 88' ' ' ASN . . . -153.14 132.83 13.09 Favored 'General case' 0 C--O 1.239 0.534 0 CA-C-N 115.896 -0.593 . . . . 62.21 109.889 179.08 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -95.45 121.66 37.36 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.834 -0.621 . . . . 74.21 110.05 177.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 96' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -109.97 111.73 23.3 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.18 -0.918 . . . . 73.53 109.481 -178.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 97' ' ' VAL . . . . . 0.562 HG22 HG12 ' B' ' 83' ' ' VAL . 63.7 t -114.03 110.65 32.88 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.828 0 CA-C-N 115.979 -0.555 . . . . 65.34 110.65 -174.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 98' ' ' GLU . . . . . 0.462 ' HG2' ' HB3' ' B' ' 135' ' ' ARG . 43.6 mt-10 -95.47 106.99 19.12 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.726 -0.472 . . . . 74.42 109.726 178.135 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 84.4 mt -94.0 106.62 18.59 Favored 'General case' 0 C--O 1.235 0.299 0 N-CA-C 109.487 -0.561 . . . . 61.12 109.487 179.653 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 100' ' ' ARG . . . . . 0.547 ' HA ' ' O ' ' B' ' 137' ' ' VAL . 77.6 ttt180 -99.42 122.94 43.23 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.672 -0.695 . . . . 64.11 110.073 -175.047 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 101' ' ' VAL . . . . . . . . . . . . . 89.7 t -110.5 118.72 57.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.353 -0.385 . . . . 60.12 110.941 -173.684 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -120.72 101.49 7.76 Favored 'General case' 0 C--O 1.238 0.449 0 CA-C-N 116.152 -0.476 . . . . 53.32 109.86 175.753 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 103' ' ' LEU . . . . . 0.758 HD23 HD22 ' B' ' 106' ' ' LEU . 42.1 tp -113.99 117.58 43.68 Favored Pre-proline 0 C--N 1.328 -0.356 0 N-CA-C 109.096 -0.705 . . . . 72.24 109.096 179.004 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 104' ' ' PRO . . . . . 0.547 ' HD2' HD12 ' B' ' 103' ' ' LEU . 32.8 Cg_endo -62.26 145.5 96.07 Favored 'Trans proline' 0 C--O 1.237 0.45 0 C-N-CA 122.677 2.252 . . . . 74.24 111.793 -179.051 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 105' ' ' GLY . . . . . . . . . . . . . . . 68.78 15.12 68.56 Favored Glycine 0 CA--C 1.52 0.391 0 CA-C-N 115.617 -0.72 . . . . 72.34 112.458 -177.225 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 106' ' ' LEU . . . . . 0.758 HD22 HD23 ' B' ' 103' ' ' LEU . 50.2 tp -121.39 139.63 53.19 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 120.996 0.427 . . . . 60.53 110.955 -179.813 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -82.65 167.58 18.12 Favored 'General case' 0 CA--C 1.516 -0.355 0 CA-C-N 115.708 -0.678 . . . . 63.12 110.634 179.6 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -68.44 -45.48 72.42 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.055 -0.52 . . . . 34.32 109.829 168.879 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -59.67 -47.38 85.84 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.505 -0.77 . . . . 64.51 110.64 -178.042 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 110' ' ' ALA . . . . . 0.452 ' O ' HG22 ' B' ' 113' ' ' THR . . . -70.99 -42.92 69.02 Favored 'General case' 0 C--O 1.238 0.462 0 CA-C-N 116.128 -0.487 . . . . 72.03 110.29 179.349 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 111' ' ' ALA . . . . . 0.403 ' HA ' HD21 ' B' ' 106' ' ' LEU . . . -54.53 -37.82 65.85 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 115.856 -0.611 . . . . 64.14 111.324 178.226 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 112' ' ' LYS . . . . . . . . . . . . . 23.4 mmmt -51.08 -45.95 61.62 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 116.049 -0.523 . . . . 74.45 111.357 179.381 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 113' ' ' THR . . . . . 0.452 HG22 ' O ' ' B' ' 110' ' ' ALA . 1.6 t -82.16 -37.27 26.4 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.368 -0.378 . . . . 72.03 110.627 -177.026 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 33.9 mt -62.36 -45.96 90.83 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-O 120.752 0.311 . . . . 70.23 110.92 -178.218 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 115' ' ' VAL . . . . . 0.563 HG21 HG12 ' B' ' 138' ' ' VAL . 84.2 t -63.21 -37.55 79.75 Favored 'Isoleucine or valine' 0 C--O 1.243 0.724 0 CA-C-N 116.278 -0.419 . . . . 63.55 110.198 177.66 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 116' ' ' ASP . . . . . 0.612 ' O ' ' HB2' ' B' ' 120' ' ' HIS . 17.3 t70 -61.05 -61.51 2.52 Favored 'General case' 0 CA--C 1.52 -0.18 0 CA-C-N 115.836 -0.62 . . . . 75.43 109.883 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 117' ' ' ARG . . . . . 0.466 ' O ' HG22 ' B' ' 121' ' ' VAL . 16.0 ptm180 -57.38 -38.69 74.66 Favored 'General case' 0 N--CA 1.461 0.121 0 CA-C-N 116.296 -0.411 . . . . 70.2 110.61 -177.814 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -56.26 -56.11 25.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.842 -0.617 . . . . 61.11 110.986 178.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 79.0 m-70 -76.99 -14.05 59.89 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-O 120.675 0.274 . . . . 74.31 111.057 179.36 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 120' ' ' HIS . . . . . 0.612 ' HB2' ' O ' ' B' ' 116' ' ' ASP . 2.5 t-160 -77.57 -39.88 44.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.039 -0.528 . . . . 61.52 110.093 -177.457 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 121' ' ' VAL . . . . . 0.466 HG22 ' O ' ' B' ' 117' ' ' ARG . 32.4 m -95.21 -38.6 8.99 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.242 0 CA-C-N 116.135 -0.484 . . . . 63.42 111.455 -177.255 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 122' ' ' CYS . . . . . . . . . . . . . 77.0 m -126.99 82.5 67.94 Favored Pre-proline 0 CA--C 1.533 0.293 0 CA-C-O 120.89 0.376 . . . . 74.53 111.671 -177.075 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 123' ' ' PRO . . . . . . . . . . . . . 62.7 Cg_endo -96.11 158.56 1.37 Allowed 'Trans proline' 0 N--CA 1.454 -0.819 0 C-N-CA 122.951 2.434 . . . . 65.25 111.716 171.746 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 124' ' ' TYR . . . . . 0.527 ' HE2' ' SG ' ' B' ' 57' ' ' CYS . 0.1 OUTLIER -68.28 -20.57 64.79 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 121.669 0.747 . . . . 65.35 109.275 174.495 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 125' ' ' SER . . . . . 0.644 ' O ' HG22 ' B' ' 128' ' ' THR . 47.2 t 178.29 147.9 0.17 Allowed 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 114.26 -1.336 . . . . 64.23 107.646 179.699 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 126' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -61.15 -34.11 74.48 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 108.055 -1.091 . . . . 74.24 108.055 175.121 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 127' ' ' ALA . . . . . 0.618 ' O ' ' HB3' ' B' ' 131' ' ' ASN . . . -84.26 6.29 23.37 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 114.53 -1.214 . . . . 65.3 112.186 -178.121 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 128' ' ' THR . . . . . 0.644 HG22 ' O ' ' B' ' 125' ' ' SER . 1.7 t -96.68 -9.5 28.99 Favored 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 109.06 -0.719 . . . . 55.14 109.06 179.662 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 129' ' ' ARG . . . . . . . . . . . . . 23.6 ptt85 -126.16 -43.23 1.81 Allowed 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 115.072 -0.967 . . . . 75.21 110.833 -177.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 130' ' ' ASN . . . . . . . . . . . . . 82.4 m-20 -77.06 -48.04 18.93 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 116.157 -0.474 . . . . 74.14 111.212 178.459 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 131' ' ' ASN . . . . . 0.618 ' HB3' ' O ' ' B' ' 127' ' ' ALA . 7.3 t30 -73.99 -43.84 56.72 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 116.132 -0.485 . . . . 75.43 110.907 -176.909 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 132' ' ' VAL . . . . . . . . . . . . . 56.1 t -88.27 134.36 28.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.89 -0.595 . . . . 52.13 109.671 178.235 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 133' ' ' ALA . . . . . . . . . . . . . . . -72.3 86.61 1.11 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.589 0.709 . . . . 72.23 110.417 -179.128 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 134' ' ' VAL . . . . . . . . . . . . . 46.6 t -100.43 119.68 48.87 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.758 0 CA-C-N 115.093 -0.958 . . . . 61.1 110.791 -179.524 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 135' ' ' ARG . . . . . 0.462 ' HB3' ' HG2' ' B' ' 98' ' ' GLU . 0.1 OUTLIER -88.8 108.32 19.44 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.561 -0.745 . . . . 74.32 109.424 175.386 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 54.3 mt -79.36 113.04 17.18 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.067 0.461 . . . . 72.41 110.11 175.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 137' ' ' VAL . . . . . 0.547 ' O ' ' HA ' ' B' ' 100' ' ' ARG . 0.2 OUTLIER -122.86 115.57 46.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.681 -0.691 . . . . 72.22 110.499 -177.614 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 138' ' ' VAL . . . . . 0.563 HG12 HG21 ' B' ' 115' ' ' VAL . 3.0 m -101.12 138.49 25.16 Favored 'Isoleucine or valine' 0 C--O 1.238 0.455 0 CA-C-N 115.786 -0.643 . . . . 70.52 109.865 -179.761 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 139' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.176 0 CA-C-O 118.594 -0.717 . . . . 71.35 110.817 -177.008 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.591 ' SD ' ' HB2' ' B' ' 96' ' ' ASP . 28.7 ptm . . . . . 0 N--CA 1.484 1.258 0 CA-C-O 120.935 0.398 . . . . 71.43 110.719 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 49.5 t30 -100.86 83.92 2.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.817 -0.628 . . . . 75.52 109.808 -179.125 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.528 HG21 ' HB2' ' A' ' 6' ' ' LYS . 29.6 mm -66.44 129.06 30.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.889 -0.596 . . . . 51.02 111.958 -178.495 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.748 ' HG ' ' HD3' ' B' ' 87' ' ' PRO . 88.3 mt -86.29 -43.44 12.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.58 -0.736 . . . . 74.21 109.742 174.201 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' TYR . . . . . 0.619 ' HE2' ' HG2' ' B' ' 35' ' ' GLU . 58.7 t80 -141.08 135.5 31.04 Favored 'General case' 0 CA--C 1.518 -0.273 0 CA-C-N 116.056 -0.52 . . . . 54.43 110.03 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.528 ' HB2' HG21 ' A' ' 3' ' ' ILE . 31.2 ttmt -145.49 139.62 26.95 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.933 0.397 . . . . 62.42 110.549 177.128 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 7.1 t -139.18 -180.0 6.19 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.454 -0.794 . . . . 73.02 109.092 177.855 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -151.5 148.44 28.04 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.886 0.374 . . . . 64.34 110.354 -178.003 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -137.92 131.96 31.69 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.115 -0.493 . . . . 65.14 109.988 -179.733 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 8.9 t -102.29 121.72 42.83 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.113 0.482 . . . . 73.43 109.817 -178.751 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 75.2 p -107.37 113.51 26.92 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.12 -0.491 . . . . 71.32 110.297 -179.02 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.3 m -85.76 151.95 23.43 Favored 'General case' 0 C--O 1.241 0.651 0 CA-C-N 116.235 -0.439 . . . . 72.12 110.627 -178.138 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -78.84 67.83 3.14 Favored Glycine 0 N--CA 1.444 -0.793 0 CA-C-N 115.825 -0.625 . . . . 62.44 111.812 177.118 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.89 -159.59 0.42 Allowed Glycine 0 C--N 1.336 0.568 0 C-N-CA 121.008 -0.615 . . . . 62.02 112.764 176.052 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.589 ' HA ' ' NE ' ' A' ' 15' ' ' ARG . 1.5 mmp_? -47.76 -49.42 28.5 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 116.64 0.22 . . . . 73.04 111.277 -179.367 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.571 ' HB3' ' HA ' ' A' ' 31' ' ' SER . 33.8 t70 -125.74 -42.78 1.9 Allowed 'General case' 0 CA--C 1.518 -0.269 0 N-CA-C 109.111 -0.7 . . . . 74.22 109.111 171.841 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -163.62 158.5 30.99 Favored Glycine 0 N--CA 1.446 -0.653 0 C-N-CA 120.271 -0.966 . . . . 73.12 112.192 167.325 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.466 ' HA ' ' HA ' ' A' ' 29' ' ' LYS . 24.8 ttt85 -133.92 152.99 52.06 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 108.862 -0.792 . . . . 73.24 108.862 172.846 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.412 ' HB2' ' HB2' ' B' ' 56' ' ' ALA . . . -146.19 124.29 12.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.767 0.318 . . . . 71.12 110.633 -176.818 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.439 HG23 ' HB2' ' A' ' 27' ' ' ASP . 25.5 m -133.71 114.17 13.14 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.971 -0.559 . . . . 63.53 110.248 -177.289 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.525 ' CB ' ' HB3' ' A' ' 26' ' ' LEU . 18.0 t -74.64 115.46 14.23 Favored 'General case' 0 C--O 1.249 1.055 0 N-CA-C 107.36 -1.348 . . . . 62.3 107.36 175.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 78.1 t60 -63.0 -19.6 64.51 Favored 'General case' 0 C--N 1.351 0.649 0 O-C-N 126.383 2.302 . . . . 71.44 113.021 -163.408 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.416 ' OD1' ' HE3' ' A' ' 25' ' ' LYS . 9.4 p30 -80.43 13.21 2.55 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.637 0.732 . . . . 73.43 109.253 174.229 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 30.2 mm-40 69.88 20.15 6.79 Favored 'General case' 0 CA--C 1.515 -0.367 0 CA-C-N 114.283 -1.326 . . . . 72.53 111.417 172.238 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.435 ' HD2' ' OE1' ' B' ' 48' ' ' GLN . 14.2 ptpt -91.79 -13.23 31.84 Favored 'General case' 0 N--CA 1.451 -0.42 0 C-N-CA 120.331 -0.548 . . . . 73.44 110.415 176.834 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.525 ' HB3' ' CB ' ' A' ' 21' ' ' SER . 67.8 tp -141.9 142.55 33.07 Favored 'General case' 0 C--N 1.349 0.582 0 C-N-CA 119.081 -1.048 . . . . 74.42 110.631 175.42 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.439 ' HB2' HG23 ' A' ' 20' ' ' THR . 30.3 t70 -164.4 90.52 0.57 Allowed 'General case' 0 C--N 1.33 -0.25 0 O-C-N 123.635 0.585 . . . . 74.13 109.453 176.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.404 HG22 HD11 ' A' ' 26' ' ' LEU . 11.0 m -147.42 178.07 1.02 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.427 0 CA-C-N 115.852 -0.613 . . . . 62.12 111.608 -176.128 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.466 ' HA ' ' HA ' ' A' ' 18' ' ' ARG . 0.0 OUTLIER -118.61 151.45 37.9 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.157 -0.929 . . . . 62.42 110.485 178.108 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.656 ' HA ' ' H ' ' A' ' 44' ' ' THR . 0.0 OUTLIER -130.1 155.36 46.31 Favored 'General case' 0 C--O 1.257 1.498 0 N-CA-C 109.483 -0.562 . . . . 64.12 109.483 167.723 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.571 ' HA ' ' HB3' ' A' ' 16' ' ' ASP . 73.1 m -164.24 131.11 3.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.673 -0.694 . . . . 75.34 111.547 -175.44 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.461 ' HA ' ' HD3' ' A' ' 33' ' ' PRO . . . -72.87 133.66 81.92 Favored Pre-proline 0 C--O 1.241 0.632 0 CA-C-N 115.273 -0.876 . . . . 52.21 110.65 177.314 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.461 ' HD3' ' HA ' ' A' ' 32' ' ' ALA . 33.8 Cg_exo -60.31 148.48 90.02 Favored 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 122.909 2.406 . . . . 73.33 112.177 -179.083 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 6.6 mmt85 -69.76 -3.31 14.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.223 -0.444 . . . . 50.12 111.501 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.407 ' HB3' HD22 ' A' ' 36' ' ' LEU . 9.7 tp10 -57.71 -31.55 66.53 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-O 121.045 0.45 . . . . 75.14 110.408 175.389 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.496 HD22 ' N ' ' A' ' 36' ' ' LEU . 2.2 mm? -100.58 6.2 44.11 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 115.76 -0.655 . . . . 63.44 110.324 178.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 75.46 37.57 40.73 Favored Glycine 0 N--CA 1.451 -0.363 0 N-CA-C 111.386 -0.686 . . . . 72.22 111.386 -171.647 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -76.44 -123.2 0.18 Allowed Glycine 0 C--N 1.337 0.599 0 C-N-CA 121.44 -0.409 . . . . 73.44 113.231 -178.156 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -104.17 -38.85 6.74 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 120.874 0.369 . . . . 63.22 111.28 -173.488 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 99.79 66.65 0.84 Allowed Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 121.081 -0.581 . . . . 45.53 111.862 -178.244 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -167.89 137.29 2.58 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.944 -0.391 . . . . 44.21 109.944 -178.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -86.26 57.63 4.6 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.388 0.613 . . . . 71.23 111.061 -178.427 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -85.02 -141.01 5.31 Favored Glycine 0 C--N 1.331 0.27 0 N-CA-C 110.817 -0.913 . . . . 55.55 110.817 174.797 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.656 ' H ' ' HA ' ' A' ' 30' ' ' LEU . 4.4 p -111.35 151.96 27.83 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.042 -0.725 . . . . 74.01 109.042 175.217 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.69 ' HB2' ' HB3' ' A' ' 48' ' ' GLN . 66.7 m-20 -86.23 133.03 41.56 Favored Pre-proline 0 C--N 1.324 -0.506 0 N-CA-C 109.373 -0.602 . . . . 72.33 109.373 -178.033 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.408 ' HB2' ' SG ' ' B' ' 57' ' ' CYS . 18.5 Cg_endo -56.95 -53.15 5.36 Favored 'Trans proline' 0 C--N 1.35 0.625 0 C-N-CA 123.101 2.534 . . . . 63.04 113.242 -174.618 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.512 ' OE1' ' HB3' ' A' ' 45' ' ' ASN . 0.0 OUTLIER -69.3 -31.72 70.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.53 -0.305 . . . . 62.13 110.385 -179.222 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.69 ' HB3' ' HB2' ' A' ' 45' ' ' ASN . 0.8 OUTLIER -63.89 -37.53 87.72 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-O 121.111 0.481 . . . . 72.35 110.336 173.948 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.502 HD12 ' HA3' ' B' ' 53' ' ' GLY . 2.8 tm? -66.73 -52.67 41.71 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 115.746 -0.661 . . . . 71.11 109.307 179.312 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 54.0 t80 -59.26 -40.0 84.64 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.07 -0.514 . . . . 64.45 110.531 177.21 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.37 -52.92 62.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 52.03 110.847 178.586 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.62 -47.36 85.91 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-N 116.091 -0.504 . . . . 51.43 110.665 -179.589 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -58.83 -53.18 48.41 Favored Glycine 0 N--CA 1.45 -0.386 0 CA-C-N 115.685 -0.689 . . . . 45.35 112.294 179.039 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -62.16 -37.3 84.7 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 122.719 0.408 . . . . 71.4 110.441 -179.224 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 32.5 t -59.68 -53.16 61.21 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.102 0.477 . . . . 50.31 110.145 178.844 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.618 ' HB1' HD21 ' B' ' 30' ' ' LEU . . . -69.85 -35.41 74.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.886 -0.597 . . . . 72.41 111.041 -178.796 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.412 ' SG ' ' HB3' ' B' ' 46' ' ' PRO . 88.8 m -65.32 -36.28 83.58 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.126 -0.488 . . . . 74.4 110.018 177.771 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 33.2 t80 -62.11 -38.06 87.47 Favored 'General case' 0 C--O 1.233 0.232 0 N-CA-C 109.179 -0.675 . . . . 64.12 109.179 179.411 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 47.9 tp -66.08 -51.43 58.17 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 115.174 -0.921 . . . . 74.12 110.632 178.677 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.458 ' HA ' ' HG3' ' A' ' 63' ' ' LYS . 74.7 m -63.81 -34.97 79.1 Favored 'General case' 0 C--O 1.238 0.449 0 CA-C-O 120.705 0.288 . . . . 74.4 111.138 179.017 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -59.51 -46.47 88.75 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.266 -0.642 . . . . 64.15 109.266 174.647 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 83.6 mmm -64.53 -32.85 74.67 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.645 -0.707 . . . . 61.32 111.084 176.372 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.458 ' HG3' ' HA ' ' A' ' 60' ' ' SER . 24.2 mtmm -62.6 -41.27 98.87 Favored 'General case' 0 N--CA 1.465 0.309 0 N-CA-C 109.81 -0.441 . . . . 62.32 109.81 177.242 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 44.7 t80 -71.28 -47.86 54.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.208 -0.451 . . . . 70.35 110.385 177.272 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 41.0 t -52.76 -46.57 51.12 Favored 'Isoleucine or valine' 0 C--O 1.237 0.44 0 CA-C-O 121.122 0.487 . . . . 51.41 111.116 179.257 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.431 ' HB1' ' O ' ' A' ' 71' ' ' GLN . . . -56.83 -32.9 66.21 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.022 -0.535 . . . . 55.45 110.563 179.345 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -71.41 -28.2 70.11 Favored Glycine 0 CA--C 1.518 0.219 0 CA-C-N 115.642 -0.708 . . . . 65.01 112.717 -176.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -97.27 -14.91 21.06 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.32 0.581 . . . . 73.33 109.524 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.411 ' HB3' ' HG2' ' A' ' 71' ' ' GLN . 16.7 m-80 -93.42 -3.92 52.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.197 -0.91 . . . . 73.35 110.316 173.657 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 3.0 mptp? 59.39 23.37 11.88 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 115.547 -0.752 . . . . 70.5 111.496 177.169 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.431 ' O ' ' HB1' ' A' ' 66' ' ' ALA . 2.9 pt20 -108.55 162.19 14.36 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.14 -0.936 . . . . 65.11 109.373 176.364 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 17.0 p -124.78 131.46 53.45 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 116.495 -0.321 . . . . 71.13 110.625 -177.824 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -109.45 137.85 20.4 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-N 116.143 -0.48 . . . . 63.13 110.312 177.338 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 10.4 Cg_endo -56.43 132.89 54.57 Favored 'Trans proline' 0 C--N 1.348 0.523 0 C-N-CA 123.273 2.649 . . . . 75.32 112.935 179.431 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -76.93 1.82 16.54 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 121.206 0.527 . . . . 74.43 111.273 177.28 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -94.71 18.14 12.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.658 0.742 . . . . 72.44 110.219 -179.781 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.512 ' HB ' HD12 ' A' ' 103' ' ' LEU . 8.2 t -90.23 166.52 13.31 Favored 'General case' 0 C--O 1.238 0.456 0 CA-C-N 115.451 -0.795 . . . . 73.42 112.297 -176.407 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.516 HG22 ' HA ' ' B' ' 12' ' ' THR . 1.1 p -148.99 149.48 31.23 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 115.526 -0.761 . . . . 65.01 110.686 -179.714 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 92.6 t -131.55 125.36 56.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 N-CA-C 109.187 -0.671 . . . . 73.54 109.187 173.415 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.436 ' HB ' ' HB3' ' A' ' 100' ' ' ARG . 47.3 m -111.54 113.09 25.27 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 120.676 0.274 . . . . 61.0 110.579 -179.497 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -93.38 106.62 18.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.111 -0.495 . . . . 75.0 109.932 177.662 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.53 ' HA ' ' HA ' ' B' ' 8' ' ' ALA . 32.2 tt0 -107.75 107.85 18.8 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.22 -0.445 . . . . 74.0 109.865 -179.837 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.535 HG12 HG22 ' A' ' 97' ' ' VAL . 34.1 m -99.43 140.11 19.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.359 -0.382 . . . . 74.25 110.745 -177.054 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.411 ' O ' ' HA ' ' A' ' 95' ' ' LEU . . . -129.76 151.1 19.2 Favored Glycine 0 N--CA 1.444 -0.791 0 N-CA-C 111.389 -0.684 . . . . 64.22 111.389 174.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -131.84 128.16 59.56 Favored 'Isoleucine or valine' 0 C--O 1.244 0.774 0 N-CA-C 109.531 -0.544 . . . . 71.32 109.531 179.538 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -155.66 169.85 33.49 Favored Glycine 0 N--CA 1.454 -0.117 0 CA-C-N 115.047 -0.978 . . . . 64.2 111.51 178.764 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.686 ' HD3' ' HG ' ' B' ' 4' ' ' LEU . 3.0 Cg_exo -73.87 127.93 11.95 Favored 'Trans proline' 0 N--CA 1.461 -0.419 0 C-N-CA 122.656 2.237 . . . . 75.13 110.834 175.599 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ASN . . . . . 0.452 ' HB3' ' HB2' ' A' ' 94' ' ' ALA . 38.7 p30 -91.86 170.36 9.94 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.102 0.477 . . . . 63.43 111.062 -179.116 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -67.55 -14.04 62.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.722 -0.672 . . . . 74.31 111.342 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -70.6 -26.62 63.59 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 116.349 -0.387 . . . . 62.35 110.224 176.5 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.17 19.72 11.3 Favored Glycine 0 C--N 1.331 0.258 0 CA-C-N 115.954 -0.566 . . . . 52.42 112.444 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' GLY . . . . . 0.452 ' O ' ' HA ' ' A' ' 87' ' ' PRO . . . -133.41 -152.56 6.87 Favored Glycine 0 C--N 1.328 0.138 0 N-CA-C 111.204 -0.758 . . . . 74.12 111.204 177.517 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 32.9 m-85 -98.05 156.39 16.67 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.847 -0.427 . . . . 72.25 109.847 178.724 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.452 ' HB2' ' HB3' ' A' ' 88' ' ' ASN . . . -147.73 136.78 22.18 Favored 'General case' 0 C--O 1.241 0.636 0 CA-C-N 116.41 -0.359 . . . . 73.43 110.727 179.01 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.462 HD11 ' HG2' ' A' ' 47' ' ' GLU . 4.4 mm? -103.25 115.44 30.56 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 115.121 -0.945 . . . . 75.45 109.643 175.639 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 34.5 t0 -109.88 110.48 21.46 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 108.705 -0.85 . . . . 62.1 108.705 179.358 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.643 ' HB ' HG22 ' A' ' 134' ' ' VAL . 56.4 t -112.21 110.65 32.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 N-CA-C 111.898 0.332 . . . . 41.42 111.898 -170.393 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -80.44 111.19 16.61 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 110.215 -0.291 . . . . 51.52 110.215 173.304 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 57.0 mt -93.8 106.93 18.87 Favored 'General case' 0 C--O 1.234 0.253 0 N-CA-C 109.132 -0.692 . . . . 73.33 109.132 173.521 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.614 ' HA ' ' O ' ' A' ' 137' ' ' VAL . 66.0 ttt180 -99.7 107.56 19.69 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.362 -0.835 . . . . 73.43 110.474 -174.409 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 48.3 t -103.17 102.04 13.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.465 -0.334 . . . . 72.23 110.692 -173.846 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -99.66 101.33 12.49 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.791 0.329 . . . . 73.1 110.31 178.748 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.865 HD23 HD22 ' A' ' 106' ' ' LEU . 35.8 tp -114.45 117.5 42.8 Favored Pre-proline 0 C--N 1.327 -0.378 0 N-CA-C 108.904 -0.776 . . . . 73.31 108.904 179.41 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' PRO . . . . . 0.533 ' HD2' HD12 ' A' ' 103' ' ' LEU . 57.5 Cg_endo -73.51 148.62 42.9 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.266 1.977 . . . . 73.52 112.273 -175.895 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 74.32 15.05 80.33 Favored Glycine 0 N--CA 1.45 -0.37 0 CA-C-N 115.662 -0.699 . . . . 54.45 112.118 -177.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.865 HD22 HD23 ' A' ' 103' ' ' LEU . 30.5 tp -124.91 140.07 53.26 Favored 'General case' 0 C--O 1.236 0.359 0 C-N-CA 122.825 0.45 . . . . 65.03 110.698 -176.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' ASP . . . . . 0.425 ' HB3' ' H ' ' A' ' 110' ' ' ALA . 2.0 t70 -75.64 163.34 27.42 Favored 'General case' 0 CA--C 1.512 -0.486 0 CA-C-N 115.992 -0.549 . . . . 72.42 110.611 178.328 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.445 ' O ' ' HG3' ' A' ' 112' ' ' LYS . . . -68.85 -45.07 72.03 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.37 -0.832 . . . . 74.35 109.886 169.714 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -61.49 -44.65 96.7 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-N 115.392 -0.822 . . . . 64.13 110.771 -176.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.483 ' O ' HG22 ' A' ' 113' ' ' THR . . . -72.74 -42.25 64.28 Favored 'General case' 0 C--O 1.237 0.434 0 CA-C-N 115.958 -0.564 . . . . 73.25 110.298 178.502 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -54.63 -38.91 67.41 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 115.969 -0.559 . . . . 54.13 110.864 178.302 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.445 ' HG3' ' O ' ' A' ' 108' ' ' ALA . 10.4 mtpm? -51.88 -45.15 64.04 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.273 -0.421 . . . . 74.23 111.247 177.879 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 113' ' ' THR . . . . . 0.483 HG22 ' O ' ' A' ' 110' ' ' ALA . 1.1 t -78.56 -37.23 43.23 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 120.958 -0.297 . . . . 74.22 110.517 -176.61 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 50.8 mt -64.07 -47.77 78.81 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 116.458 -0.337 . . . . 61.01 110.572 -178.83 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.49 HG21 HG12 ' A' ' 138' ' ' VAL . 93.3 t -64.36 -36.77 78.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.304 -0.407 . . . . 72.22 110.101 177.805 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -57.97 -58.38 8.67 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 121.026 0.441 . . . . 63.5 110.745 179.679 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' ARG . . . . . 0.472 ' HG2' ' O ' ' A' ' 113' ' ' THR . 9.2 ptm180 -64.98 -40.88 95.64 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-N 115.844 -0.616 . . . . 65.24 110.8 -177.225 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.421 ' HA ' HG22 ' A' ' 121' ' ' VAL . . . -61.22 -35.93 78.55 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.05 -0.523 . . . . 63.41 110.302 177.448 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 119' ' ' HIS . . . . . 0.477 ' O ' ' HB3' ' A' ' 125' ' ' SER . 41.9 t-80 -80.44 8.09 8.4 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 115.704 -0.68 . . . . 74.13 110.55 178.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 22.0 m-70 -108.86 -47.51 3.44 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.139 -0.482 . . . . 75.14 110.4 171.41 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.421 HG22 ' HA ' ' A' ' 118' ' ' ALA . 33.7 m -67.8 -34.75 69.43 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.419 0 N-CA-C 112.615 0.598 . . . . 74.54 112.615 -173.459 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 80.4 m -68.14 129.08 93.17 Favored Pre-proline 0 CA--C 1.535 0.397 0 N-CA-C 110.371 -0.233 . . . . 72.12 110.371 179.698 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -58.76 -38.57 88.2 Favored 'Trans proline' 0 C--N 1.352 0.741 0 C-N-CA 122.779 2.32 . . . . 74.45 112.942 -174.878 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 28.2 m-85 -64.28 -18.44 64.58 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 116.399 -0.364 . . . . 65.44 110.986 -178.095 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 125' ' ' SER . . . . . 0.635 ' HA ' HG22 ' A' ' 128' ' ' THR . 19.4 m -63.25 -37.26 86.53 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.113 -0.494 . . . . 62.44 112.302 -172.831 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 56.2 t30 -59.53 -46.55 88.54 Favored 'General case' 0 C--O 1.239 0.535 0 CA-C-O 121.298 0.57 . . . . 73.42 110.322 -176.239 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 127' ' ' ALA . . . . . 0.591 ' O ' ' HB3' ' A' ' 131' ' ' ASN . . . -68.4 -17.61 64.26 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.35 -0.841 . . . . 54.1 111.539 179.817 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 128' ' ' THR . . . . . 0.635 HG22 ' HA ' ' A' ' 125' ' ' SER . 0.8 OUTLIER -108.32 9.55 27.83 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.346 0.593 . . . . 73.21 109.924 -170.504 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 129' ' ' ARG . . . . . 0.404 HH11 ' HD3' ' A' ' 129' ' ' ARG . 3.7 ptm180 -125.55 -55.79 1.52 Allowed 'General case' 0 C--O 1.232 0.164 0 CA-C-N 115.832 -0.622 . . . . 72.04 110.658 178.647 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -78.76 -42.0 29.17 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.281 0.562 . . . . 71.52 110.534 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 131' ' ' ASN . . . . . 0.591 ' HB3' ' O ' ' A' ' 127' ' ' ALA . 2.5 t-20 -86.23 -43.09 13.25 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.532 -0.758 . . . . 72.12 111.04 -176.078 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 132' ' ' VAL . . . . . 0.568 ' HB ' ' HA ' ' A' ' 128' ' ' THR . 61.7 t -117.44 148.43 20.21 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.251 0 CA-C-N 116.545 -0.298 . . . . 70.22 110.73 -173.724 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -89.71 103.35 16.01 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.191 0.52 . . . . 45.42 110.576 -179.635 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 134' ' ' VAL . . . . . 0.643 HG22 ' HB ' ' A' ' 97' ' ' VAL . 71.5 t -116.67 124.1 72.39 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 115.824 -0.626 . . . . 75.02 111.028 177.678 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 3.1 tpp180 -90.26 117.39 28.97 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.405 -0.816 . . . . 72.41 109.388 178.138 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.412 HD23 ' HA ' ' A' ' 136' ' ' LEU . 50.7 mt -87.41 109.49 19.6 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.274 0.559 . . . . 50.04 111.169 -178.788 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 137' ' ' VAL . . . . . 0.614 ' O ' ' HA ' ' A' ' 100' ' ' ARG . 0.2 OUTLIER -115.07 114.0 45.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.221 -0.899 . . . . 74.42 110.077 179.846 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 138' ' ' VAL . . . . . 0.49 HG12 HG21 ' A' ' 115' ' ' VAL . 3.6 m -94.01 138.87 19.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.8 -0.636 . . . . 53.11 109.896 -179.022 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.314 -0.939 0 CA-C-N 115.83 -0.623 . . . . 73.13 111.135 -175.195 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 28.1 ptm . . . . . 0 C--O 1.234 0.252 0 CA-C-O 120.717 0.294 . . . . 72.42 110.769 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 56.6 t30 -99.44 84.78 3.04 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.045 -0.525 . . . . 61.35 109.791 179.117 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 3' ' ' ILE . . . . . 0.524 HG21 ' HB2' ' B' ' 6' ' ' LYS . 28.5 mm -70.39 122.89 23.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.933 -0.576 . . . . 72.42 111.321 179.554 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.686 ' HG ' ' HD3' ' A' ' 87' ' ' PRO . 88.2 mt -79.59 -45.94 18.21 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.621 -0.718 . . . . 75.25 109.744 176.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 5' ' ' TYR . . . . . . . . . . . . . 23.7 t80 -137.48 132.68 33.67 Favored 'General case' 0 CA--C 1.517 -0.318 0 CA-C-N 115.834 -0.621 . . . . 75.45 109.774 -177.456 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 6' ' ' LYS . . . . . 0.524 ' HB2' HG21 ' B' ' 3' ' ' ILE . 37.9 ttmt -136.36 135.93 39.24 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.903 0.382 . . . . 65.01 110.661 177.601 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 5.1 t -133.68 139.48 46.45 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.953 -0.567 . . . . 72.52 109.871 179.076 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 8' ' ' ALA . . . . . 0.53 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . . . -110.25 143.92 39.7 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.077 -0.51 . . . . 64.22 110.268 -177.614 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 9' ' ' ALA . . . . . 0.456 ' HA ' ' H ' ' B' ' 22' ' ' HIS . . . -132.75 119.6 20.54 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.947 0.403 . . . . 31.45 110.353 177.236 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 89.8 m -91.38 123.94 35.19 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.842 -0.617 . . . . 64.31 110.682 -177.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 43.1 t -111.69 113.65 26.15 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.855 -0.611 . . . . 74.14 109.667 178.352 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 12' ' ' THR . . . . . 0.516 ' HA ' HG22 ' A' ' 78' ' ' THR . 4.4 m -102.0 158.32 16.23 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.701 0.286 . . . . 53.42 110.67 179.574 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -81.18 73.19 2.62 Favored Glycine 0 N--CA 1.45 -0.405 0 N-CA-C 111.254 -0.738 . . . . 71.12 111.254 174.042 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -63.6 -106.93 0.01 OUTLIER Glycine 0 C--N 1.336 0.533 0 C-N-CA 121.218 -0.515 . . . . 73.4 112.621 -179.585 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 15' ' ' ARG . . . . . 0.484 ' CG ' ' HB2' ' B' ' 41' ' ' ALA . 6.0 tpm_? -88.85 -52.67 4.99 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.309 -0.626 . . . . 65.14 109.309 174.028 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 16' ' ' ASP . . . . . 0.478 ' HB3' ' HA ' ' B' ' 31' ' ' SER . 25.1 t70 -125.73 -42.76 1.9 Allowed 'General case' 0 C--O 1.236 0.365 0 CA-C-N 116.155 -0.475 . . . . 65.33 109.851 169.172 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -156.24 143.14 9.41 Favored Glycine 0 N--CA 1.446 -0.695 0 C-N-CA 120.138 -1.03 . . . . 74.22 112.222 168.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 18' ' ' ARG . . . . . 0.407 ' HD3' ' HB ' ' B' ' 12' ' ' THR . 41.7 ttt180 -117.11 150.89 37.93 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 108.646 -0.872 . . . . 74.4 108.646 175.166 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -144.44 123.54 12.88 Favored 'General case' 0 C--N 1.317 -0.826 0 N-CA-C 109.302 -0.629 . . . . 64.21 109.302 179.495 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 20' ' ' THR . . . . . 0.468 ' HA ' ' O ' ' B' ' 26' ' ' LEU . 28.0 m -141.12 110.93 6.5 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 116.419 -0.355 . . . . 75.11 110.183 -177.719 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 21' ' ' SER . . . . . 0.615 ' HB2' ' HB3' ' B' ' 26' ' ' LEU . 9.3 t -65.87 107.95 2.0 Allowed 'General case' 0 C--O 1.251 1.154 0 N-CA-C 106.563 -1.644 . . . . 74.21 106.563 176.57 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 22' ' ' HIS . . . . . 0.456 ' H ' ' HA ' ' B' ' 9' ' ' ALA . 23.4 t60 -58.73 -21.49 55.28 Favored 'General case' 0 N--CA 1.466 0.351 0 O-C-N 126.77 2.544 . . . . 73.12 112.723 -163.349 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 23' ' ' ASP . . . . . 0.487 ' OD2' ' HE3' ' B' ' 25' ' ' LYS . 32.6 p30 -80.5 18.37 0.94 Allowed 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.457 0.646 . . . . 63.54 110.029 177.228 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 34.5 mm-40 72.05 23.01 3.55 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 114.637 -1.165 . . . . 71.43 112.035 170.238 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 25' ' ' LYS . . . . . 0.487 ' HE3' ' OD2' ' B' ' 23' ' ' ASP . 16.8 ptpt -98.54 -26.14 14.52 Favored 'General case' 0 C--O 1.235 0.294 0 C-N-CA 120.492 -0.483 . . . . 41.25 111.601 178.074 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 26' ' ' LEU . . . . . 0.615 ' HB3' ' HB2' ' B' ' 21' ' ' SER . 60.7 tp -134.15 138.92 45.53 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 118.882 -1.127 . . . . 71.52 112.327 -176.68 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -150.86 92.66 1.85 Allowed 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 115.004 -0.998 . . . . 53.33 110.595 -177.7 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 3.3 m -140.79 178.09 3.34 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.497 0 CA-C-O 121.375 0.607 . . . . 74.12 111.944 -179.474 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.491 ' NZ ' ' HB3' ' B' ' 29' ' ' LYS . 1.2 ttpm? -134.24 146.28 49.94 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 115.13 -0.941 . . . . 64.31 110.362 179.656 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 30' ' ' LEU . . . . . 0.872 ' HA ' ' H ' ' B' ' 44' ' ' THR . 0.0 OUTLIER -129.3 169.89 14.3 Favored 'General case' 0 C--O 1.252 1.19 0 N-CA-C 109.669 -0.493 . . . . 72.32 109.669 173.046 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 31' ' ' SER . . . . . 0.478 ' HA ' ' HB3' ' B' ' 16' ' ' ASP . 15.7 p -168.33 149.09 4.86 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 115.934 -0.576 . . . . 62.35 112.004 -171.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 32' ' ' ALA . . . . . 0.411 ' HA ' ' HD3' ' B' ' 33' ' ' PRO . . . -58.68 130.19 85.24 Favored Pre-proline 0 C--O 1.237 0.42 0 CA-C-N 115.453 -0.794 . . . . 75.13 110.062 172.721 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 33' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' B' ' 32' ' ' ALA . 75.4 Cg_exo -50.18 105.72 0.11 Allowed 'Trans proline' 0 C--N 1.35 0.657 0 C-N-CA 123.332 2.688 . . . . 71.3 113.618 -174.631 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 34' ' ' ARG . . . . . 0.425 ' HD2' ' H ' ' B' ' 39' ' ' ALA . 9.8 mmm180 -59.14 -14.27 9.78 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 115.808 -0.633 . . . . 71.43 110.698 172.596 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 35' ' ' GLU . . . . . 0.619 ' HG2' ' HE2' ' A' ' 5' ' ' TYR . 1.0 OUTLIER -49.5 -46.08 47.87 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 115.742 -0.663 . . . . 72.42 110.763 172.848 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.528 HD11 ' HB2' ' A' ' 5' ' ' TYR . 67.2 mt -100.47 16.09 25.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.635 -0.711 . . . . 63.52 109.96 -179.601 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 72.32 44.05 44.15 Favored Glycine 0 N--CA 1.449 -0.488 0 CA-C-N 115.792 -0.64 . . . . 51.22 111.542 -175.077 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 38' ' ' GLY . . . . . 0.485 ' O ' ' HB3' ' B' ' 39' ' ' ALA . . . -59.9 -25.88 62.27 Favored Glycine 0 C--N 1.335 0.499 0 C-N-CA 121.182 -0.532 . . . . 64.12 112.466 -177.24 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 39' ' ' ALA . . . . . 0.485 ' HB3' ' O ' ' B' ' 38' ' ' GLY . . . 77.44 6.07 3.01 Favored 'General case' 0 CA--C 1.503 -0.857 0 CA-C-O 122.671 1.224 . . . . 71.25 108.893 175.161 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -75.17 -96.46 0.13 Allowed Glycine 0 N--CA 1.415 -2.708 0 CA-C-N 112.169 -2.287 . . . . 53.13 112.581 179.783 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 41' ' ' ALA . . . . . 0.484 ' HB2' ' CG ' ' B' ' 15' ' ' ARG . . . -172.4 -171.85 0.86 Allowed 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 122.627 0.371 . . . . 45.11 110.23 -176.709 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -107.6 55.22 0.65 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.621 0.724 . . . . 74.14 109.39 178.431 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -101.26 -116.75 4.1 Favored Glycine 0 CA--C 1.519 0.283 0 CA-C-N 114.547 -1.206 . . . . 72.12 112.019 179.406 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 44' ' ' THR . . . . . 0.872 ' H ' ' HA ' ' B' ' 30' ' ' LEU . 32.7 m -125.09 147.22 49.09 Favored 'General case' 0 N--CA 1.453 -0.286 0 N-CA-C 109.447 -0.575 . . . . 35.03 109.447 179.044 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 45' ' ' ASN . . . . . 0.46 ' HA ' ' HD3' ' B' ' 46' ' ' PRO . 1.6 m-20 -81.52 135.32 49.91 Favored Pre-proline 0 C--N 1.328 -0.356 0 N-CA-C 109.922 -0.399 . . . . 71.14 109.922 -178.55 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 46' ' ' PRO . . . . . 0.46 ' HD3' ' HA ' ' B' ' 45' ' ' ASN . 40.8 Cg_exo -57.78 -56.11 1.92 Allowed 'Trans proline' 0 C--N 1.352 0.739 0 C-N-CA 123.268 2.645 . . . . 54.41 113.64 -174.251 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 47' ' ' GLU . . . . . 0.48 ' HB2' HG21 ' B' ' 83' ' ' VAL . 0.0 OUTLIER -68.57 -31.39 70.57 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-O 121.148 0.499 . . . . 73.03 109.933 -176.552 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 48' ' ' GLN . . . . . 0.435 ' OE1' ' HD2' ' A' ' 25' ' ' LYS . 62.1 tt0 -64.81 -40.65 95.55 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.26 -0.882 . . . . 65.22 110.019 175.594 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -64.31 -48.91 73.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.478 -0.783 . . . . 73.15 109.599 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 39.5 t80 -59.44 -45.89 90.29 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 116.379 -0.373 . . . . 74.53 110.558 177.535 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.91 -52.97 63.09 Favored 'General case' 0 C--O 1.237 0.423 0 CA-C-O 120.785 0.326 . . . . 63.22 111.339 -178.836 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.65 -52.32 66.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.077 -0.51 . . . . 74.31 111.035 179.666 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 53' ' ' GLY . . . . . 0.502 ' HA3' HD12 ' A' ' 49' ' ' LEU . . . -61.55 -38.26 95.53 Favored Glycine 0 C--N 1.331 0.267 0 C-N-CA 121.111 -0.566 . . . . 73.22 112.42 -178.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 54' ' ' TYR . . . . . 0.4 ' OH ' HG21 ' B' ' 128' ' ' THR . 2.8 t80 -65.3 -51.67 59.18 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 122.626 0.37 . . . . 73.14 110.664 179.529 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 55' ' ' SER . . . . . 0.567 ' HB3' ' HB2' ' B' ' 81' ' ' ALA . 19.1 p -58.65 -47.82 83.14 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.887 0.375 . . . . 71.55 110.477 -179.218 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 56' ' ' ALA . . . . . 0.482 ' HB1' HD11 ' A' ' 30' ' ' LEU . . . -61.63 -40.76 96.03 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 115.916 -0.584 . . . . 72.32 110.906 177.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 57' ' ' CYS . . . . . 0.408 ' SG ' ' HB2' ' A' ' 46' ' ' PRO . 52.5 t -65.32 -36.39 83.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.043 -0.526 . . . . 72.4 110.009 178.654 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 42.3 t80 -69.05 -30.33 68.66 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 115.756 -0.656 . . . . 52.32 109.885 -176.845 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -61.74 -52.31 64.78 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-N 115.51 -0.768 . . . . 64.41 109.036 177.001 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 60' ' ' SER . . . . . 0.465 ' O ' ' HB2' ' B' ' 63' ' ' LYS . 46.7 t -61.12 -42.12 97.96 Favored 'General case' 0 C--O 1.242 0.692 0 CA-C-O 121.352 0.596 . . . . 73.23 110.132 177.258 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 61' ' ' ALA . . . . . 0.506 ' O ' HG23 ' B' ' 65' ' ' VAL . . . -54.37 -45.72 72.85 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.783 -0.644 . . . . 44.1 110.242 177.067 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 62' ' ' MET . . . . . 0.495 ' HA ' ' HB ' ' B' ' 65' ' ' VAL . 19.7 mtp -71.76 -25.1 61.9 Favored 'General case' 0 N--CA 1.461 0.097 0 CA-C-N 116.436 -0.347 . . . . 71.0 111.344 179.352 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 63' ' ' LYS . . . . . 0.465 ' HB2' ' O ' ' B' ' 60' ' ' SER . 72.3 mmtt -60.72 -47.89 84.25 Favored 'General case' 0 C--O 1.233 0.217 0 N-CA-C 109.022 -0.733 . . . . 72.03 109.022 172.868 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 29.1 t80 -68.32 -44.77 74.64 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 115.792 -0.64 . . . . 73.11 110.897 176.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 65' ' ' VAL . . . . . 0.506 HG23 ' O ' ' B' ' 61' ' ' ALA . 46.4 t -56.36 -50.74 70.49 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.208 0 CA-C-O 120.849 0.357 . . . . 75.05 110.783 -179.602 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -56.43 -32.8 65.23 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.285 -0.416 . . . . 74.13 110.463 179.703 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -69.51 -35.87 76.0 Favored Glycine 0 N--CA 1.452 -0.291 0 CA-C-N 115.661 -0.699 . . . . 75.04 112.209 -178.474 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -91.5 -13.66 31.8 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.381 0.61 . . . . 64.5 109.394 -176.8 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 15.9 m-80 -95.29 2.27 54.73 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.104 -0.953 . . . . 65.21 110.744 176.237 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 2.5 mptp? 60.88 26.05 15.95 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 115.795 -0.639 . . . . 73.12 111.492 175.029 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -117.78 165.55 13.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.711 -0.677 . . . . 74.24 110.101 179.576 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 34.5 p -120.78 141.33 50.61 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.402 -0.363 . . . . 74.12 110.561 179.331 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 73' ' ' LEU . . . . . 0.431 ' HA ' ' HD3' ' B' ' 74' ' ' PRO . 96.9 mt -109.39 137.65 20.32 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-N 116.222 -0.445 . . . . 75.15 110.003 177.307 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 74' ' ' PRO . . . . . 0.511 ' HD2' HD11 ' B' ' 103' ' ' LEU . 39.7 Cg_exo -62.56 151.81 81.14 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.728 2.285 . . . . 62.01 111.98 177.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -77.13 -24.0 51.68 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.35 0.595 . . . . 71.53 111.324 -179.03 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -82.76 23.47 0.81 Allowed 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.171 -0.922 . . . . 60.22 111.874 -173.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 77' ' ' THR . . . . . . . . . . . . . 7.9 t -94.94 159.94 14.8 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.088 0.471 . . . . 73.25 111.78 -175.791 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 25.6 m -154.54 150.84 28.19 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 115.886 -0.597 . . . . 71.23 109.725 -178.453 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 73.5 t -125.17 117.93 51.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 N-CA-C 109.995 -0.372 . . . . 54.24 109.995 175.244 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 21.2 m -101.58 110.49 22.49 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 120.949 0.404 . . . . 72.42 110.44 -179.3 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 81' ' ' ALA . . . . . 0.567 ' HB2' ' HB3' ' B' ' 55' ' ' SER . . . -94.24 107.58 19.51 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.796 -0.638 . . . . 73.43 110.854 -179.042 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 82' ' ' GLU . . . . . 0.612 ' HB3' ' HB3' ' B' ' 98' ' ' GLU . 35.2 tt0 -90.8 139.95 30.26 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.17 -0.678 . . . . 71.23 109.17 172.789 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 83' ' ' VAL . . . . . 0.48 HG21 ' HB2' ' B' ' 47' ' ' GLU . 9.0 p -142.42 136.64 28.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-O 120.811 0.339 . . . . 71.44 110.211 179.736 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 84' ' ' GLY . . . . . 0.424 ' HA2' ' HA ' ' A' ' 6' ' ' LYS . . . -140.57 165.53 26.09 Favored Glycine 0 N--CA 1.447 -0.594 0 N-CA-C 111.807 -0.517 . . . . 52.45 111.807 178.887 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -145.05 131.21 14.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 N-CA-C 109.546 -0.539 . . . . 73.1 109.546 -178.144 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 86' ' ' GLY . . . . . 0.435 ' HA2' ' HG ' ' A' ' 4' ' ' LEU . . . -155.63 169.63 33.46 Favored Glycine 0 N--CA 1.452 -0.256 0 CA-C-N 115.477 -0.783 . . . . 52.3 111.237 177.896 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 87' ' ' PRO . . . . . 0.748 ' HD3' ' HG ' ' A' ' 4' ' ' LEU . 5.4 Cg_exo -79.22 124.17 5.87 Favored 'Trans proline' 0 N--CA 1.458 -0.61 0 C-N-CA 122.736 2.291 . . . . 61.3 110.959 176.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 88' ' ' ASN . . . . . . . . . . . . . 36.5 p30 -76.45 167.4 21.91 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.433 -0.348 . . . . 72.3 110.393 178.792 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -66.65 -15.74 63.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 65.22 111.426 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -78.35 -21.21 49.84 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-N 115.8 -0.636 . . . . 74.05 111.52 -177.456 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.2 35.14 3.47 Favored Glycine 0 CA--C 1.517 0.163 0 CA-C-N 116.212 -0.449 . . . . 72.2 112.711 177.408 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 92' ' ' GLY . . . . . 0.479 ' O ' ' HA ' ' B' ' 87' ' ' PRO . . . -146.07 -166.75 12.21 Favored Glycine 0 N--CA 1.452 -0.27 0 N-CA-C 111.086 -0.806 . . . . 70.13 111.086 177.288 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 93' ' ' PHE . . . . . . . . . . . . . 54.0 m-85 -97.72 149.3 22.45 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.612 -0.514 . . . . 73.12 109.612 178.832 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 94' ' ' ALA . . . . . 0.458 ' O ' ' HE1' ' A' ' 1' ' ' MET . . . -144.5 140.36 28.83 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.441 -0.345 . . . . 62.21 110.136 -177.146 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -100.09 127.93 46.26 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.676 -0.693 . . . . 74.21 109.932 179.171 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 96' ' ' ASP . . . . . 0.591 ' HB2' ' SD ' ' A' ' 1' ' ' MET . 18.4 t70 -109.88 110.2 21.08 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 108.317 -0.994 . . . . 73.53 108.317 177.447 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 97' ' ' VAL . . . . . 0.805 ' HB ' HG22 ' B' ' 134' ' ' VAL . 47.3 t -116.94 146.52 21.25 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 CA-C-N 116.217 -0.447 . . . . 65.34 110.616 -174.411 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 98' ' ' GLU . . . . . 0.612 ' HB3' ' HB3' ' B' ' 82' ' ' GLU . 34.3 tt0 -139.98 109.0 6.03 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.114 -0.493 . . . . 74.42 109.72 -178.621 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 96.0 mt -96.91 110.8 23.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.489 -0.323 . . . . 61.12 110.322 -178.191 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 100' ' ' ARG . . . . . 0.448 ' HA ' ' O ' ' B' ' 137' ' ' VAL . 97.4 mtt180 -99.37 118.15 35.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.105 -0.498 . . . . 64.11 110.012 -178.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 101' ' ' VAL . . . . . 0.406 HG21 HG22 ' B' ' 115' ' ' VAL . 92.3 t -100.81 100.23 9.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 116.113 -0.494 . . . . 60.12 110.16 -177.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 102' ' ' ALA . . . . . 0.473 ' HA ' ' HB3' ' B' ' 139' ' ' ALA . . . -91.82 101.23 13.82 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 108.951 -0.759 . . . . 53.32 108.951 177.013 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 103' ' ' LEU . . . . . 0.55 HD12 ' HD2' ' B' ' 104' ' ' PRO . 14.5 tp -124.19 106.74 30.62 Favored Pre-proline 0 C--N 1.325 -0.495 0 N-CA-C 108.924 -0.769 . . . . 72.24 108.924 -176.258 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 104' ' ' PRO . . . . . 0.55 ' HD2' HD12 ' B' ' 103' ' ' LEU . 69.5 Cg_endo -72.88 153.65 53.14 Favored 'Trans proline' 0 C--N 1.347 0.488 0 C-N-CA 123.199 2.599 . . . . 74.24 112.969 -173.222 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 105' ' ' GLY . . . . . . . . . . . . . . . 72.36 15.25 77.1 Favored Glycine 0 C--N 1.331 0.252 0 CA-C-N 116.008 -0.542 . . . . 72.34 112.469 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 106' ' ' LEU . . . . . 0.535 HD22 HD23 ' B' ' 103' ' ' LEU . 21.8 tp -130.98 144.23 51.32 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 122.794 0.438 . . . . 60.53 110.631 -174.433 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 107' ' ' ASP . . . . . 0.404 ' O ' ' HB2' ' B' ' 111' ' ' ALA . 2.0 t70 -74.82 163.26 27.86 Favored 'General case' 0 CA--C 1.511 -0.548 0 CA-C-O 120.844 0.354 . . . . 63.12 110.784 178.437 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 108' ' ' ALA . . . . . 0.512 ' O ' ' HG3' ' B' ' 112' ' ' LYS . . . -68.55 -45.32 72.46 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.298 -0.865 . . . . 34.32 110.023 170.411 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 109' ' ' ALA . . . . . 0.427 ' HA ' ' HE2' ' B' ' 112' ' ' LYS . . . -60.45 -49.54 77.16 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.67 -0.695 . . . . 64.51 110.469 -176.509 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 110' ' ' ALA . . . . . 0.516 ' O ' ' HG ' ' B' ' 114' ' ' LEU . . . -69.34 -41.61 76.41 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.516 -0.765 . . . . 72.03 110.096 179.147 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 111' ' ' ALA . . . . . 0.51 ' HA ' HD21 ' B' ' 106' ' ' LEU . . . -54.91 -41.68 71.25 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 115.96 -0.564 . . . . 64.14 111.292 179.631 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 112' ' ' LYS . . . . . 0.512 ' HG3' ' O ' ' B' ' 108' ' ' ALA . 49.2 mtmt -54.24 -49.48 69.38 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.797 0.332 . . . . 74.45 111.122 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 113' ' ' THR . . . . . 0.48 HG22 ' O ' ' B' ' 110' ' ' ALA . 1.1 t -70.48 -34.2 72.11 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.237 -0.438 . . . . 72.03 110.463 -177.184 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 114' ' ' LEU . . . . . 0.516 ' HG ' ' O ' ' B' ' 110' ' ' ALA . 43.0 mt -66.17 -39.04 89.46 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 121.149 0.5 . . . . 70.23 109.913 177.433 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 115' ' ' VAL . . . . . 0.583 HG21 HG12 ' B' ' 138' ' ' VAL . 76.9 t -66.77 -37.79 80.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.695 -0.684 . . . . 63.55 110.065 175.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -58.82 -60.71 3.41 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.019 -0.537 . . . . 75.43 110.958 177.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 117' ' ' ARG . . . . . . . . . . . . . 14.2 ptm180 -62.28 -39.65 93.63 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 115.977 -0.556 . . . . 70.2 110.717 -177.651 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -60.33 -39.36 86.81 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.999 0.428 . . . . 61.11 110.204 176.232 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 119' ' ' HIS . . . . . 0.51 ' HA ' ' HB2' ' B' ' 125' ' ' SER . 59.2 m80 -88.99 10.76 20.35 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 115.977 -0.556 . . . . 74.31 111.227 178.582 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 10.1 t60 -108.49 -40.22 5.18 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.17 -0.468 . . . . 61.52 110.034 179.046 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 34.8 m -86.47 -34.42 7.92 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.249 0 CA-C-N 116.079 -0.51 . . . . 63.42 112.113 -175.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 122' ' ' CYS . . . . . 0.582 ' HB2' ' OG ' ' B' ' 125' ' ' SER . 60.8 m -77.95 135.1 63.4 Favored Pre-proline 0 CA--C 1.537 0.46 0 CA-C-O 120.531 0.205 . . . . 74.53 110.762 -177.735 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 123' ' ' PRO . . . . . 0.443 ' HD3' ' HA ' ' B' ' 122' ' ' CYS . 52.6 Cg_exo -54.2 -63.19 0.23 Allowed 'Trans proline' 0 C--N 1.349 0.604 0 C-N-CA 123.102 2.535 . . . . 65.25 112.904 -176.673 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 124' ' ' TYR . . . . . 0.472 ' O ' ' HB ' ' B' ' 128' ' ' THR . 28.6 m-85 -52.61 -30.91 33.83 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 116.136 -0.484 . . . . 65.35 111.406 -176.595 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 125' ' ' SER . . . . . 0.582 ' OG ' ' HB2' ' B' ' 122' ' ' CYS . 52.0 p -84.29 -35.24 23.47 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.556 -0.293 . . . . 64.23 111.753 -175.351 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 126' ' ' ASN . . . . . . . . . . . . . 44.3 t30 -59.46 -41.83 90.61 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 108.767 -0.827 . . . . 74.24 108.767 175.888 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 127' ' ' ALA . . . . . 0.648 ' O ' ' HB3' ' B' ' 131' ' ' ASN . . . -88.1 6.38 36.59 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 114.598 -1.183 . . . . 65.3 112.164 -179.05 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 128' ' ' THR . . . . . 0.543 HG22 ' O ' ' B' ' 125' ' ' SER . 1.2 t -103.01 -22.67 13.76 Favored 'General case' 0 CA--C 1.517 -0.289 0 O-C-N 121.649 -0.657 . . . . 55.14 109.479 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 129' ' ' ARG . . . . . . . . . . . . . 13.9 ptm180 -102.49 -45.36 5.09 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.634 -0.712 . . . . 75.21 109.35 -175.222 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 130' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -78.9 -28.38 43.98 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.182 -0.917 . . . . 74.14 111.432 -179.175 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 131' ' ' ASN . . . . . 0.648 ' HB3' ' O ' ' B' ' 127' ' ' ALA . 0.2 OUTLIER -102.81 -39.41 7.0 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 116.146 -0.479 . . . . 75.43 110.78 -174.67 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 132' ' ' VAL . . . . . 0.406 HG12 ' N ' ' B' ' 133' ' ' ALA . 34.1 t -115.35 157.91 15.89 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 CA-C-O 120.941 0.4 . . . . 52.13 111.186 -172.048 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 133' ' ' ALA . . . . . 0.406 ' N ' HG12 ' B' ' 132' ' ' VAL . . . -84.44 90.32 7.58 Favored 'General case' 0 C--O 1.241 0.63 0 CA-C-O 121.655 0.741 . . . . 72.23 110.449 178.844 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 134' ' ' VAL . . . . . 0.805 HG22 ' HB ' ' B' ' 97' ' ' VAL . 59.1 t -127.74 122.97 60.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 114.846 -1.07 . . . . 61.1 110.958 -176.806 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 135' ' ' ARG . . . . . 0.415 HH12 ' CG ' ' B' ' 96' ' ' ASP . 87.5 mtm-85 -84.87 119.52 25.43 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.31 -0.404 . . . . 74.32 110.075 175.009 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 73.9 mt -85.86 104.65 15.72 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-O 121.182 0.515 . . . . 72.41 109.785 174.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 137' ' ' VAL . . . . . 0.448 ' O ' ' HA ' ' B' ' 100' ' ' ARG . 0.1 OUTLIER -115.95 127.85 73.41 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-N 114.825 -1.08 . . . . 72.22 109.778 -176.511 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 138' ' ' VAL . . . . . 0.583 HG12 HG21 ' B' ' 115' ' ' VAL . 3.6 m -100.38 138.27 25.23 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 N-CA-C 109.478 -0.564 . . . . 70.52 109.478 -178.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 139' ' ' ALA . . . . . 0.473 ' HB3' ' HA ' ' B' ' 102' ' ' ALA . . . . . . . . 0 C--O 1.25 1.101 0 CA-C-O 118.578 -0.725 . . . . 71.35 110.67 -172.494 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.5 ptt? . . . . . 0 N--CA 1.483 1.177 0 CA-C-O 120.726 0.298 . . . . 71.43 110.293 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 41.7 t30 -69.8 76.54 0.45 Allowed 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 116.089 -0.505 . . . . 75.52 110.868 176.644 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.445 HG21 ' HB2' ' A' ' 6' ' ' LYS . 30.8 mm -73.82 133.96 30.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 116.031 -0.532 . . . . 51.02 111.235 174.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.64 ' HG ' ' HD3' ' B' ' 87' ' ' PRO . 89.6 mt -89.85 -49.5 6.58 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.58 -0.737 . . . . 74.21 109.848 174.263 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 42.1 t80 -131.99 131.48 42.6 Favored 'General case' 0 CA--C 1.517 -0.293 0 CA-C-N 115.903 -0.589 . . . . 54.43 109.652 -177.068 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.445 ' HB2' HG21 ' A' ' 3' ' ' ILE . 37.8 ttmt -136.05 143.72 44.85 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.456 -0.338 . . . . 62.42 110.663 176.627 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 10.3 t -147.71 146.01 29.09 Favored 'General case' 0 C--O 1.239 0.501 0 CA-C-N 115.809 -0.632 . . . . 73.02 109.458 176.597 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -112.07 134.63 53.5 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.141 0.496 . . . . 64.34 110.954 -178.388 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -129.29 121.79 28.26 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.883 -0.598 . . . . 65.14 109.486 177.097 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.567 ' HA ' ' HA ' ' B' ' 80' ' ' THR . 14.5 t -99.39 146.09 26.68 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.708 -0.478 . . . . 73.43 109.708 -177.81 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 26.6 p -130.47 113.51 14.38 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 121.036 0.446 . . . . 71.32 110.379 -178.117 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.5 m -92.88 154.91 17.93 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.811 -0.631 . . . . 72.12 110.438 -178.511 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -81.03 77.72 1.99 Allowed Glycine 0 N--CA 1.447 -0.625 0 C-N-CA 120.748 -0.739 . . . . 62.44 111.884 176.7 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -61.76 -129.17 0.01 OUTLIER Glycine 0 CA--C 1.527 0.815 0 C-N-CA 121.05 -0.595 . . . . 62.02 112.426 172.07 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 26.5 tpt180 -70.36 -51.86 26.86 Favored 'General case' 0 N--CA 1.465 0.276 0 O-C-N 122.247 -0.56 . . . . 73.04 110.081 177.127 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.524 ' HB3' ' HA ' ' A' ' 31' ' ' SER . 17.2 t70 -125.56 -42.33 1.96 Allowed 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 108.912 -0.773 . . . . 74.22 108.912 175.651 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -164.28 152.71 22.63 Favored Glycine 0 C--N 1.341 0.842 0 C-N-CA 119.946 -1.121 . . . . 73.12 112.083 167.392 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.518 ' HA ' ' HA ' ' A' ' 29' ' ' LYS . 65.8 ttt180 -126.42 150.43 48.64 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 108.667 -0.864 . . . . 73.24 108.667 173.054 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.515 ' HB1' ' HB1' ' B' ' 52' ' ' ALA . . . -140.13 123.8 17.26 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.658 -0.497 . . . . 71.12 109.658 -179.125 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 62.5 m -142.42 114.82 8.42 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.028 -0.533 . . . . 63.53 110.976 -173.664 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.623 ' HB3' ' N ' ' A' ' 26' ' ' LEU . 27.5 t -71.1 111.45 6.47 Favored 'General case' 0 C--O 1.245 0.83 0 N-CA-C 107.38 -1.341 . . . . 62.3 107.38 173.884 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 59.2 t-80 -55.34 -24.47 29.34 Favored 'General case' 0 N--CA 1.466 0.354 0 O-C-N 125.737 1.898 . . . . 71.44 111.894 -166.483 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.498 ' HB3' ' HE2' ' A' ' 25' ' ' LYS . 30.7 t70 -80.69 15.35 1.75 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.153 -0.476 . . . . 73.43 110.246 -179.045 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 31.7 mm-40 68.73 17.04 8.91 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 115.756 -0.656 . . . . 72.53 110.329 -178.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.498 ' HE2' ' HB3' ' A' ' 23' ' ' ASP . 56.5 mtmt -85.91 -13.29 48.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.698 -0.683 . . . . 73.44 110.851 179.1 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.623 ' N ' ' HB3' ' A' ' 21' ' ' SER . 42.7 tp -156.96 146.22 20.31 Favored 'General case' 0 C--O 1.222 -0.357 0 C-N-CA 120.282 -0.567 . . . . 74.42 111.009 172.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -161.26 99.78 1.19 Allowed 'General case' 0 N--CA 1.466 0.328 0 O-C-N 123.447 0.467 . . . . 74.13 110.661 174.685 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 2.7 m -148.86 177.81 0.82 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.61 0 C-N-CA 122.734 0.413 . . . . 62.12 111.273 176.768 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.518 ' HA ' ' HA ' ' A' ' 18' ' ' ARG . 0.0 OUTLIER -124.59 142.4 51.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.806 -0.634 . . . . 62.42 110.167 177.771 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.577 ' HB2' ' O ' ' A' ' 44' ' ' THR . 0.0 OUTLIER -124.5 166.22 16.42 Favored 'General case' 0 C--O 1.25 1.087 0 CA-C-N 116.047 -0.524 . . . . 64.12 109.618 175.316 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.524 ' HA ' ' HB3' ' A' ' 16' ' ' ASP . 58.4 p -173.74 134.15 0.47 Allowed 'General case' 0 N--CA 1.445 -0.694 0 CA-C-N 115.959 -0.564 . . . . 75.34 111.504 -172.754 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -74.16 138.95 75.52 Favored Pre-proline 0 C--N 1.322 -0.614 0 N-CA-C 108.715 -0.846 . . . . 52.21 108.715 168.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -73.12 40.64 0.52 Allowed 'Trans proline' 0 CA--C 1.535 0.537 0 C-N-CA 122.726 2.284 . . . . 73.33 111.838 178.539 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.516 ' O ' ' N ' ' A' ' 36' ' ' LEU . 9.4 ttt180 57.48 -88.73 0.02 OUTLIER 'General case' 0 N--CA 1.449 -0.509 0 C-N-CA 123.674 0.79 . . . . 50.12 110.824 -176.125 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 51.27 -75.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 O-C-N 124.21 0.944 . . . . 75.14 112.708 178.45 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.516 ' N ' ' O ' ' A' ' 34' ' ' ARG . 40.3 mt -85.87 -27.44 25.04 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.715 -0.675 . . . . 63.44 109.894 -171.793 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 149.45 48.47 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.27 0 CA-C-N 115.741 -0.663 . . . . 72.22 112.627 176.685 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.416 ' H ' ' HA ' ' A' ' 34' ' ' ARG . . . -102.76 -135.92 8.93 Favored Glycine 0 N--CA 1.447 -0.567 0 C-N-CA 120.288 -0.958 . . . . 73.44 111.211 178.708 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -108.78 -36.81 6.04 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.07 0.462 . . . . 63.22 110.619 178.494 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 83.36 96.22 0.58 Allowed Glycine 0 N--CA 1.451 -0.362 0 CA-C-N 115.901 -0.591 . . . . 45.53 112.183 -178.478 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -158.57 158.69 34.42 Favored 'General case' 0 C--O 1.237 0.439 0 CA-C-O 120.842 0.353 . . . . 44.21 111.134 178.82 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.405 ' H ' ' HG2' ' A' ' 42' ' ' GLU . 10.3 pt-20 -76.12 83.72 2.96 Favored 'General case' 0 C--O 1.238 0.476 0 CA-C-O 122.037 0.922 . . . . 71.23 110.524 178.564 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -145.7 -163.28 10.14 Favored Glycine 0 C--N 1.313 -0.712 0 CA-C-N 114.937 -1.028 . . . . 55.55 111.546 177.815 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.577 ' O ' ' HB2' ' A' ' 30' ' ' LEU . 28.3 m -100.78 134.69 43.37 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.584 0.231 . . . . 74.01 110.784 -179.016 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -63.93 128.22 92.67 Favored Pre-proline 0 N--CA 1.463 0.208 0 N-CA-C 109.612 -0.514 . . . . 72.33 109.612 169.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 8.3 Cg_endo -51.23 -45.3 37.85 Favored 'Trans proline' 0 CA--C 1.536 0.575 0 C-N-CA 122.737 2.291 . . . . 63.04 112.473 177.456 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -60.25 -44.35 95.35 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-O 121.681 0.753 . . . . 62.13 109.023 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.417 HE21 ' HB3' ' A' ' 48' ' ' GLN . 7.2 tt0 -61.58 -38.29 86.99 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 114.479 -1.237 . . . . 72.35 110.769 178.251 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.446 HD12 ' HA3' ' B' ' 53' ' ' GLY . 3.2 tm? -64.13 -49.45 72.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.605 -0.725 . . . . 71.11 109.872 -178.337 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 46.9 t80 -64.02 -48.24 77.09 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 116.25 -0.432 . . . . 64.45 110.827 178.645 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -53.5 -48.88 68.58 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-O 120.728 0.299 . . . . 52.03 111.446 177.763 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -61.58 -52.67 63.45 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-O 120.941 0.4 . . . . 51.43 110.625 -179.642 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -62.83 -34.83 90.88 Favored Glycine 0 C--O 1.226 -0.361 0 CA-C-N 115.738 -0.664 . . . . 45.35 112.559 -179.093 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -70.84 -43.95 67.47 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 122.618 0.367 . . . . 71.4 110.616 -177.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.536 ' HB3' ' HB2' ' A' ' 81' ' ' ALA . 32.7 p -64.13 -48.17 77.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.798 0.332 . . . . 50.31 110.128 178.169 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.461 ' HB1' HD21 ' B' ' 30' ' ' LEU . . . -61.44 -39.24 90.11 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 115.974 -0.557 . . . . 72.41 110.609 176.673 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 53.5 t -65.41 -36.13 83.01 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.072 -0.513 . . . . 74.4 110.056 178.045 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 12.4 t80 -63.39 -29.76 71.01 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.175 -0.466 . . . . 64.12 109.885 -178.503 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.458 HD21 HG23 ' A' ' 79' ' ' VAL . 95.7 mt -64.42 -54.3 34.8 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 116.046 -0.525 . . . . 74.12 109.822 174.549 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 32.0 t -57.47 -39.35 76.17 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 115.75 -0.659 . . . . 74.4 110.31 177.473 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.412 ' O ' HG23 ' A' ' 65' ' ' VAL . . . -62.03 -48.24 81.14 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.836 -0.62 . . . . 64.15 110.096 178.675 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' MET . . . . . 0.411 ' SD ' ' HB1' ' A' ' 118' ' ' ALA . 83.4 mmm -65.5 -25.87 67.67 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.297 -0.411 . . . . 61.32 110.755 178.144 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.13 -47.38 74.29 Favored 'General case' 0 CA--C 1.531 0.214 0 N-CA-C 108.598 -0.89 . . . . 62.32 108.598 175.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 74.7 t80 -65.61 -44.69 85.77 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 115.54 -0.754 . . . . 70.35 110.5 177.336 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.412 HG23 ' O ' ' A' ' 61' ' ' ALA . 53.3 t -57.12 -48.92 81.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.116 -0.493 . . . . 51.41 110.359 177.923 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.41 -30.41 68.44 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.083 0.468 . . . . 55.45 110.149 177.21 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -72.15 -30.84 64.64 Favored Glycine 0 N--CA 1.454 -0.11 0 CA-C-N 115.463 -0.79 . . . . 65.01 112.205 -178.165 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -94.08 -16.78 23.49 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 109.307 -0.627 . . . . 73.33 109.307 -179.383 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 17.5 m-80 -97.19 5.19 50.53 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.237 -0.892 . . . . 73.35 110.095 177.166 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.401 ' N ' ' HD3' ' A' ' 70' ' ' LYS . 22.9 mmtm 60.45 22.32 11.96 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 114.961 -1.018 . . . . 70.5 111.366 171.615 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -113.76 169.02 9.29 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.843 -0.617 . . . . 65.11 110.904 -177.551 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 32.3 p -123.81 137.87 54.59 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.913 -0.585 . . . . 71.13 110.618 178.324 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.438 ' HA ' ' HD3' ' A' ' 74' ' ' PRO . 94.4 mt -109.38 137.98 20.4 Favored Pre-proline 0 C--N 1.325 -0.492 0 CA-C-N 116.048 -0.524 . . . . 63.13 110.255 178.374 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.44 ' HB2' ' HG2' ' A' ' 104' ' ' PRO . 37.3 Cg_exo -58.09 131.34 42.81 Favored 'Trans proline' 0 C--N 1.349 0.598 0 C-N-CA 122.747 2.298 . . . . 75.32 112.42 -178.563 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -77.32 -1.51 30.21 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 121.008 0.432 . . . . 74.43 111.886 -177.295 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -87.31 5.01 40.55 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.345 0.593 . . . . 72.44 110.855 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.506 ' HB ' HD12 ' A' ' 103' ' ' LEU . 9.9 t -75.81 165.25 25.29 Favored 'General case' 0 C--O 1.238 0.451 0 CA-C-N 115.754 -0.657 . . . . 73.42 112.315 -174.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.551 HG23 ' HA ' ' B' ' 12' ' ' THR . 23.6 m -158.18 149.39 21.05 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 115.517 -0.765 . . . . 65.01 109.455 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.458 HG23 HD21 ' A' ' 59' ' ' LEU . 70.1 t -130.67 126.49 60.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 N-CA-C 110.123 -0.325 . . . . 73.54 110.123 177.727 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 29.1 m -107.43 110.41 22.37 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.892 0.377 . . . . 61.0 110.688 179.106 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.536 ' HB2' ' HB3' ' A' ' 55' ' ' SER . . . -93.48 104.78 16.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.041 -0.527 . . . . 75.0 109.809 177.878 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.464 ' HG2' ' HD3' ' B' ' 6' ' ' LYS . 32.6 tt0 -100.94 107.93 19.54 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.103 -0.703 . . . . 74.0 109.103 178.714 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.628 HG23 HG22 ' A' ' 97' ' ' VAL . 7.5 p -106.35 140.68 23.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.958 -0.565 . . . . 74.25 110.704 -173.449 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.406 ' HA2' ' HA ' ' B' ' 6' ' ' LYS . . . -145.35 170.96 26.57 Favored Glycine 0 N--CA 1.443 -0.885 0 CA-C-N 116.037 -0.529 . . . . 64.22 111.998 179.275 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.466 HD11 ' CD2' ' A' ' 93' ' ' PHE . 0.0 OUTLIER -146.3 139.81 20.55 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 N-CA-C 109.756 -0.461 . . . . 71.32 109.756 -178.046 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -149.68 169.9 29.85 Favored Glycine 0 CA--C 1.517 0.213 0 N-CA-C 110.903 -0.879 . . . . 64.2 110.903 -179.201 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.653 ' HD3' ' HG ' ' B' ' 4' ' ' LEU . 74.5 Cg_endo -73.45 142.04 32.54 Favored 'Trans proline' 0 C--O 1.234 0.305 0 C-N-CA 122.38 2.053 . . . . 75.13 112.054 -176.499 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 49.9 t-20 -99.06 146.03 26.5 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.21 -0.663 . . . . 63.43 109.21 178.551 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -63.92 -15.72 59.77 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-O 120.9 0.381 . . . . 74.31 111.286 -178.489 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -67.32 -25.15 65.87 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-O 121.255 0.55 . . . . 62.35 110.055 174.368 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.22 26.57 6.55 Favored Glycine 0 N--CA 1.451 -0.333 0 CA-C-N 115.507 -0.769 . . . . 52.42 111.664 -176.03 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -132.7 -140.77 4.5 Favored Glycine 0 N--CA 1.45 -0.406 0 N-CA-C 111.193 -0.763 . . . . 74.12 111.193 177.869 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.466 ' CD2' HD11 ' A' ' 85' ' ' ILE . 43.4 m-85 -119.07 153.8 34.18 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.038 0.447 . . . . 72.25 110.562 -179.86 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -137.41 131.15 31.6 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.492 -0.776 . . . . 73.43 109.18 -179.49 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -95.62 132.29 40.93 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.124 0.488 . . . . 75.45 111.346 -174.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.568 ' HB2' ' SD ' ' B' ' 1' ' ' MET . 13.8 t70 -116.39 110.32 18.52 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.065 -0.97 . . . . 62.1 108.791 178.806 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.764 ' HB ' HG22 ' A' ' 134' ' ' VAL . 46.5 t -120.3 110.72 29.62 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 C-N-CA 120.823 -0.351 . . . . 41.42 110.555 -177.912 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -98.28 107.58 20.09 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.715 -0.476 . . . . 51.52 109.715 178.489 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 14.7 tp -97.64 108.65 21.42 Favored 'General case' 0 C--O 1.235 0.332 0 N-CA-C 109.614 -0.513 . . . . 73.33 109.614 -176.884 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.562 ' HA ' ' O ' ' A' ' 137' ' ' VAL . 64.6 mtt180 -99.43 111.76 24.07 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.033 -0.53 . . . . 73.43 110.545 -175.446 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 41.4 t -101.73 100.46 10.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.241 -0.436 . . . . 72.23 110.775 -174.496 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -92.5 101.36 13.8 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 110.285 -0.265 . . . . 73.1 110.285 178.568 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.897 HD23 HD22 ' A' ' 106' ' ' LEU . 22.8 tp -115.22 115.21 42.88 Favored Pre-proline 0 C--N 1.328 -0.362 0 N-CA-C 108.986 -0.746 . . . . 73.31 108.986 178.502 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' PRO . . . . . 0.555 ' HD2' HD12 ' A' ' 103' ' ' LEU . 60.3 Cg_endo -71.88 149.24 53.32 Favored 'Trans proline' 0 C--O 1.234 0.312 0 C-N-CA 122.948 2.432 . . . . 73.52 113.07 -172.818 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 70.27 15.19 72.24 Favored Glycine 0 CA--C 1.519 0.303 0 CA-C-N 115.41 -0.814 . . . . 54.45 112.753 -179.216 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.897 HD22 HD23 ' A' ' 103' ' ' LEU . 32.2 tp -118.83 142.16 47.98 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 122.742 0.417 . . . . 65.03 110.609 -176.236 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -75.39 163.17 27.71 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-O 120.846 0.355 . . . . 72.42 110.974 179.702 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -64.75 -45.95 84.25 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.4 -0.818 . . . . 74.35 110.218 170.54 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -64.2 -49.76 70.76 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 115.509 -0.769 . . . . 64.13 110.665 -176.44 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.545 ' O ' HG22 ' A' ' 113' ' ' THR . . . -66.48 -43.45 85.37 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.675 -0.693 . . . . 73.25 109.776 -178.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 111' ' ' ALA . . . . . 0.503 ' HA ' HD21 ' A' ' 106' ' ' LEU . . . -54.72 -46.32 74.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.949 -0.569 . . . . 54.13 111.357 177.549 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.423 ' O ' ' HB2' ' A' ' 116' ' ' ASP . 63.1 mmtt -54.48 -36.51 64.23 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 116.426 -0.352 . . . . 74.23 111.397 179.628 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 113' ' ' THR . . . . . 0.545 HG22 ' O ' ' A' ' 110' ' ' ALA . 0.7 OUTLIER -82.24 -37.37 26.05 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-O 120.668 0.27 . . . . 74.22 110.969 -177.889 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.497 ' HG ' ' O ' ' A' ' 110' ' ' ALA . 55.4 mt -65.53 -49.48 68.78 Favored 'General case' 0 C--O 1.231 0.11 0 CA-C-O 120.884 0.373 . . . . 61.01 110.372 -177.812 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.408 ' O ' ' HB2' ' A' ' 119' ' ' HIS . 63.6 t -64.78 -32.86 59.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.859 -0.609 . . . . 72.22 110.102 179.017 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 116' ' ' ASP . . . . . 0.423 ' HB2' ' O ' ' A' ' 112' ' ' LYS . 10.8 t70 -61.17 -60.97 2.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.695 -0.684 . . . . 63.5 110.369 179.803 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 12.8 ptm180 -68.56 -37.43 79.91 Favored 'General case' 0 N--CA 1.457 -0.096 0 CA-C-N 116.292 -0.413 . . . . 65.24 111.052 -175.549 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.411 ' HB1' ' SD ' ' A' ' 62' ' ' MET . . . -59.56 -46.61 88.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.197 0.522 . . . . 63.41 110.41 177.878 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 119' ' ' HIS . . . . . 0.408 ' HB2' ' O ' ' A' ' 115' ' ' VAL . 1.3 t60 -76.68 -1.76 29.4 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 115.718 -0.674 . . . . 74.13 110.417 -178.855 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 10.1 t60 -98.62 -42.49 7.24 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 115.834 -0.621 . . . . 75.14 110.311 176.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 34.1 m -85.84 -43.52 16.56 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.203 0 N-CA-C 112.566 0.58 . . . . 74.54 112.566 -171.81 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 51.2 t -147.95 66.46 9.59 Favored Pre-proline 0 C--O 1.235 0.298 0 N-CA-C 112.432 0.53 . . . . 72.12 112.432 -174.626 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 65.1 Cg_endo -92.39 148.46 2.93 Favored 'Trans proline' 0 N--CA 1.456 -0.733 0 C-N-CA 122.749 2.3 . . . . 74.45 110.53 167.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 60.3 t80 -60.2 -23.86 64.35 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 121.289 0.566 . . . . 65.44 110.418 178.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 17.7 p -142.05 106.39 4.81 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.609 -0.723 . . . . 62.44 110.206 178.706 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 126' ' ' ASN . . . . . 0.455 ' O ' ' HG2' ' A' ' 129' ' ' ARG . 16.4 m120 -66.88 -31.77 72.6 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 121.45 0.643 . . . . 73.42 109.452 173.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 127' ' ' ALA . . . . . 0.497 ' O ' HG23 ' A' ' 132' ' ' VAL . . . -64.77 -5.21 5.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.095 -0.957 . . . . 54.1 112.652 -176.61 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 128' ' ' THR . . . . . 0.488 ' HA ' ' HB ' ' A' ' 132' ' ' VAL . 2.3 t -91.73 -5.68 53.23 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.606 0.717 . . . . 73.21 109.408 -167.174 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 129' ' ' ARG . . . . . 0.455 ' HG2' ' O ' ' A' ' 126' ' ' ASN . 1.6 ptm180 -120.98 -43.75 2.44 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.059 -0.973 . . . . 72.04 111.013 -176.217 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -78.47 -49.8 12.79 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-O 121.352 0.596 . . . . 71.52 111.099 175.204 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 131' ' ' ASN . . . . . 0.441 ' HB3' ' O ' ' A' ' 127' ' ' ALA . 0.2 OUTLIER -85.17 -40.17 17.01 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.208 -0.905 . . . . 72.12 111.135 -175.336 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 132' ' ' VAL . . . . . 0.497 HG23 ' O ' ' A' ' 127' ' ' ALA . 18.7 t -111.89 163.64 8.59 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.462 0 CA-C-N 116.149 -0.478 . . . . 70.22 110.578 -175.135 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 133' ' ' ALA . . . . . 0.426 ' N ' HG12 ' A' ' 132' ' ' VAL . . . -100.08 92.31 5.18 Favored 'General case' 0 C--O 1.243 0.717 0 CA-C-O 121.53 0.681 . . . . 45.42 111.997 -176.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 134' ' ' VAL . . . . . 0.764 HG22 ' HB ' ' A' ' 97' ' ' VAL . 79.3 t -109.15 121.7 62.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.316 -0.857 . . . . 75.02 110.319 172.005 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 135' ' ' ARG . . . . . 0.443 ' HD2' ' N ' ' A' ' 135' ' ' ARG . 1.2 mpt_? -86.3 108.02 18.23 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 108.85 -0.796 . . . . 72.41 108.85 177.799 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 59.9 mt -79.85 100.21 7.9 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.53 0.681 . . . . 50.04 110.263 178.217 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 137' ' ' VAL . . . . . 0.562 ' O ' ' HA ' ' A' ' 100' ' ' ARG . 0.1 OUTLIER -111.88 121.78 65.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 114.918 -1.037 . . . . 74.42 109.433 -177.504 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 5.4 m -97.85 138.92 21.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-O 121.394 0.616 . . . . 53.11 110.268 -175.315 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.308 -1.207 0 CA-C-N 115.15 -0.932 . . . . 73.13 110.856 -175.412 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.568 ' SD ' ' HB2' ' A' ' 96' ' ' ASP . 28.4 ptm . . . . . 0 C--O 1.235 0.299 0 CA-C-O 121.043 0.449 . . . . 72.42 110.843 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 2' ' ' ASN . . . . . 0.523 ' O ' ' HD2' ' A' ' 87' ' ' PRO . 40.4 t30 -97.14 86.08 3.86 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.688 -0.687 . . . . 61.35 109.717 -179.506 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 3' ' ' ILE . . . . . 0.533 HG21 ' HB2' ' B' ' 6' ' ' LYS . 33.8 mm -69.85 132.31 33.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.425 -0.807 . . . . 72.42 111.639 179.756 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.653 ' HG ' ' HD3' ' A' ' 87' ' ' PRO . 89.3 mt -90.73 -36.98 14.0 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.57 -0.741 . . . . 75.25 110.03 174.266 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 5' ' ' TYR . . . . . . . . . . . . . 14.4 t80 -143.07 130.25 20.83 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 116.126 -0.488 . . . . 75.45 110.502 -179.553 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 6' ' ' LYS . . . . . 0.533 ' HB2' HG21 ' B' ' 3' ' ' ILE . 31.6 ttmt -142.51 139.73 31.58 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-O 121.237 0.541 . . . . 65.01 111.411 174.378 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 10.0 t -137.5 147.37 45.19 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-N 115.358 -0.837 . . . . 72.52 109.738 177.407 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 8' ' ' ALA . . . . . 0.43 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . . . -111.56 141.23 45.41 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 121.079 0.466 . . . . 64.22 111.718 -175.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 9' ' ' ALA . . . . . 0.496 ' HA ' ' HA ' ' B' ' 21' ' ' SER . . . -131.62 117.98 19.44 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.856 -0.611 . . . . 31.45 110.385 178.017 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 65.9 m -99.7 115.86 30.45 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.267 -0.424 . . . . 64.31 110.121 -179.227 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 11' ' ' SER . . . . . 0.441 ' HA ' ' O ' ' B' ' 18' ' ' ARG . 23.1 p -106.31 113.44 26.97 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.147 0.498 . . . . 74.14 110.914 178.491 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 12' ' ' THR . . . . . 0.551 ' HA ' HG23 ' A' ' 78' ' ' THR . 2.5 m -81.46 155.01 26.05 Favored 'General case' 0 C--O 1.245 0.86 0 CA-C-N 115.983 -0.553 . . . . 53.42 110.845 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -73.3 75.05 1.0 Allowed Glycine 0 N--CA 1.445 -0.701 0 CA-C-N 115.475 -0.784 . . . . 71.12 111.587 174.429 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -66.15 -151.34 0.13 Allowed Glycine 0 C--N 1.332 0.308 0 C-N-CA 121.292 -0.48 . . . . 73.4 111.953 174.07 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 50.9 mtt180 -70.88 -40.3 72.34 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 122.307 -0.525 . . . . 65.14 110.453 177.37 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 16' ' ' ASP . . . . . 0.517 ' HB3' ' HA ' ' B' ' 31' ' ' SER . 14.7 t70 -126.33 -43.24 1.78 Allowed 'General case' 0 N--CA 1.466 0.344 0 N-CA-C 109.786 -0.449 . . . . 65.33 109.786 168.583 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -167.82 146.45 10.6 Favored Glycine 0 C--N 1.34 0.805 0 C-N-CA 120.21 -0.995 . . . . 74.22 112.249 164.521 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 18' ' ' ARG . . . . . 0.441 ' O ' ' HA ' ' B' ' 11' ' ' SER . 0.0 OUTLIER -126.21 104.11 8.04 Favored 'General case' 0 C--O 1.222 -0.386 0 N-CA-C 108.98 -0.748 . . . . 74.4 108.98 178.308 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -102.34 123.61 46.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.764 0.316 . . . . 64.21 110.949 -173.461 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 20' ' ' THR . . . . . 0.408 HG23 ' O ' ' B' ' 26' ' ' LEU . 89.2 m -134.2 115.05 13.73 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.295 -0.412 . . . . 75.11 110.209 -178.021 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 21' ' ' SER . . . . . 0.596 ' HB3' ' N ' ' B' ' 26' ' ' LEU . 10.9 t -64.77 108.51 1.76 Allowed 'General case' 0 C--O 1.25 1.081 0 N-CA-C 107.985 -1.117 . . . . 74.21 107.985 175.915 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 22' ' ' HIS . . . . . 0.417 ' C ' ' H ' ' B' ' 24' ' ' GLN . 28.7 t-80 -55.82 -20.19 14.32 Favored 'General case' 0 C--N 1.347 0.476 0 O-C-N 126.48 2.363 . . . . 73.12 112.088 -170.772 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -80.36 14.43 1.98 Allowed 'General case' 0 C--N 1.316 -0.87 0 N-CA-C 109.477 -0.564 . . . . 63.54 109.477 179.03 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 24' ' ' GLN . . . . . 0.417 ' H ' ' C ' ' B' ' 22' ' ' HIS . 26.6 mm-40 66.16 24.07 10.87 Favored 'General case' 0 CA--C 1.517 -0.32 0 CA-C-N 114.963 -1.017 . . . . 71.43 109.366 178.336 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 24.4 mtmm -93.86 -23.9 17.95 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 114.891 -1.05 . . . . 41.25 111.422 -179.396 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 26' ' ' LEU . . . . . 0.596 ' N ' ' HB3' ' B' ' 21' ' ' SER . 42.6 tp -148.57 146.73 28.4 Favored 'General case' 0 CA--C 1.5 -0.961 0 C-N-CA 119.018 -1.073 . . . . 71.52 111.963 -178.156 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -150.65 98.24 2.6 Favored 'General case' 0 N--CA 1.443 -0.814 0 CA-C-N 114.956 -1.02 . . . . 53.33 109.653 178.508 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 3.0 m -143.86 178.2 1.92 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.39 0 CA-C-O 121.387 0.613 . . . . 74.12 111.471 178.315 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.685 ' HE3' ' HG3' ' B' ' 42' ' ' GLU . 0.3 OUTLIER -146.68 141.27 26.66 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.29 -0.868 . . . . 64.31 109.621 -178.939 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 30' ' ' LEU . . . . . 0.743 ' HA ' ' H ' ' B' ' 44' ' ' THR . 0.0 OUTLIER -126.48 164.88 20.17 Favored 'General case' 0 C--O 1.254 1.304 0 CA-C-O 121.183 0.516 . . . . 72.32 111.231 -176.916 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 31' ' ' SER . . . . . 0.517 ' HA ' ' HB3' ' B' ' 16' ' ' ASP . 38.2 p -156.43 130.87 8.77 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 114.607 -1.179 . . . . 62.35 111.265 -177.68 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.74 141.73 98.38 Favored Pre-proline 0 C--O 1.241 0.609 0 CA-C-N 116.039 -0.528 . . . . 75.13 111.202 178.722 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 33' ' ' PRO . . . . . 0.437 ' HG2' HD12 ' B' ' 36' ' ' LEU . 12.3 Cg_endo -55.04 125.89 20.71 Favored 'Trans proline' 0 C--N 1.351 0.688 0 C-N-CA 122.85 2.367 . . . . 71.3 111.595 179.407 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 34' ' ' ARG . . . . . 0.723 ' HB2' ' HA3' ' B' ' 40' ' ' GLY . 6.5 tpt180 -65.62 -20.72 66.42 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.314 -0.403 . . . . 71.43 110.556 -175.159 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 10.7 mp0 -53.04 -31.49 41.67 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 115.545 -0.752 . . . . 72.42 110.871 178.834 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.437 HD12 ' HG2' ' B' ' 33' ' ' PRO . 37.5 mt -103.28 11.27 37.0 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.728 -0.669 . . . . 63.52 111.079 -174.599 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 90.37 22.04 35.98 Favored Glycine 0 N--CA 1.452 -0.241 0 CA-C-N 115.865 -0.607 . . . . 51.22 112.408 -177.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -84.77 -130.35 2.11 Favored Glycine 0 C--N 1.336 0.534 0 C-N-CA 121.187 -0.53 . . . . 64.12 112.302 -178.484 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -114.58 -26.71 7.78 Favored 'General case' 0 N--CA 1.465 0.28 0 N-CA-C 111.808 0.299 . . . . 71.25 111.808 -177.1 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 40' ' ' GLY . . . . . 0.723 ' HA3' ' HB2' ' B' ' 34' ' ' ARG . . . 46.51 40.38 11.25 Favored Glycine 0 C--N 1.336 0.569 0 O-C-N 123.409 0.443 . . . . 53.13 113.474 -174.879 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -90.76 -171.91 3.2 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.974 0.416 . . . . 45.11 111.021 -177.619 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 42' ' ' GLU . . . . . 0.685 ' HG3' ' HE3' ' B' ' 29' ' ' LYS . 12.0 pt-20 -80.28 32.18 0.28 Allowed 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 115.86 -0.609 . . . . 74.14 111.492 -177.796 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -112.03 -171.98 18.91 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 121.135 -0.555 . . . . 72.12 112.435 -177.583 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 44' ' ' THR . . . . . 0.743 ' H ' ' HA ' ' B' ' 30' ' ' LEU . 33.7 m -99.42 143.56 29.52 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 110.327 -0.249 . . . . 35.03 110.327 -179.864 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 45' ' ' ASN . . . . . 0.498 ' HB2' ' HB3' ' B' ' 48' ' ' GLN . 2.1 m-20 -63.43 135.28 96.18 Favored Pre-proline 0 C--N 1.325 -0.468 0 N-CA-C 110.177 -0.305 . . . . 71.14 110.177 175.341 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 46' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -59.15 -50.34 8.92 Favored 'Trans proline' 0 C--O 1.237 0.474 0 C-N-CA 122.768 2.312 . . . . 54.41 112.021 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 7.0 pm0 -65.74 -33.03 74.92 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.221 -0.445 . . . . 73.03 110.369 -177.758 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 48' ' ' GLN . . . . . 0.498 ' HB3' ' HB2' ' B' ' 45' ' ' ASN . 24.8 tt0 -70.27 -39.8 74.72 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.712 -0.676 . . . . 65.22 110.52 177.749 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -63.15 -50.68 69.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.547 -0.751 . . . . 73.15 109.775 -179.363 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 39.0 t80 -62.58 -45.42 93.0 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.824 -0.625 . . . . 74.53 110.851 178.521 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 51' ' ' ALA . . . . . 0.559 ' HB2' HG11 ' B' ' 83' ' ' VAL . . . -51.66 -53.17 41.71 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.467 -0.333 . . . . 63.22 111.197 177.266 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 52' ' ' ALA . . . . . 0.515 ' HB1' ' HB1' ' A' ' 19' ' ' ALA . . . -63.54 -39.31 94.08 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 115.742 -0.663 . . . . 74.31 110.829 -178.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 53' ' ' GLY . . . . . 0.446 ' HA3' HD12 ' A' ' 49' ' ' LEU . . . -67.65 -33.73 81.63 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 121.132 -0.556 . . . . 73.22 112.282 178.841 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -72.64 -49.23 33.22 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.891 -0.411 . . . . 73.14 109.891 -179.31 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 55' ' ' SER . . . . . 0.436 ' HB3' ' HB2' ' B' ' 81' ' ' ALA . 45.8 p -63.19 -45.98 89.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.923 0.392 . . . . 71.55 110.572 -179.834 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 56' ' ' ALA . . . . . 0.545 ' HB1' HD21 ' A' ' 30' ' ' LEU . . . -62.62 -42.23 99.46 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.03 -0.532 . . . . 72.32 110.689 178.123 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 57' ' ' CYS . . . . . . . . . . . . . 52.0 t -62.93 -36.64 84.08 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.267 -0.424 . . . . 72.4 109.974 176.653 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 23.1 t80 -63.74 -31.18 72.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.827 -0.624 . . . . 52.32 110.115 -178.046 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 95.6 mt -64.8 -56.58 12.65 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 116.043 -0.526 . . . . 64.41 110.32 176.344 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 60' ' ' SER . . . . . 0.419 ' O ' ' HB3' ' B' ' 63' ' ' LYS . 21.8 t -61.2 -37.45 83.01 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 115.808 -0.633 . . . . 73.23 110.191 -179.847 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 61' ' ' ALA . . . . . 0.448 ' O ' HG23 ' B' ' 65' ' ' VAL . . . -64.77 -43.02 94.61 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 115.921 -0.581 . . . . 44.1 110.027 177.385 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 62' ' ' MET . . . . . 0.528 ' HG3' HD11 ' B' ' 73' ' ' LEU . 3.4 tpt -61.15 -36.91 81.05 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 115.797 -0.638 . . . . 71.0 109.707 177.872 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 63' ' ' LYS . . . . . 0.419 ' HB3' ' O ' ' B' ' 60' ' ' SER . 22.7 tptp -60.04 -51.95 67.47 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 115.648 -0.705 . . . . 72.03 110.232 175.036 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 81.9 t80 -60.42 -41.57 94.21 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 116.163 -0.471 . . . . 73.11 110.538 179.576 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 65' ' ' VAL . . . . . 0.448 HG23 ' O ' ' B' ' 61' ' ' ALA . 55.4 t -59.17 -46.93 91.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.027 -0.533 . . . . 75.05 110.492 178.247 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -57.31 -30.86 65.1 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.157 -0.474 . . . . 74.13 110.558 179.556 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -71.94 -28.44 68.7 Favored Glycine 0 N--CA 1.45 -0.393 0 CA-C-N 115.515 -0.766 . . . . 75.04 112.475 -178.438 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -99.02 -13.3 19.94 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.361 0.6 . . . . 64.5 109.539 179.546 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -96.67 -5.25 39.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.416 -0.811 . . . . 65.21 110.681 177.363 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 56.43 39.64 29.94 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-O 121.488 0.661 . . . . 73.12 110.85 176.705 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -121.84 169.61 10.6 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 114.875 -1.057 . . . . 74.24 110.22 178.881 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 17.0 p -119.25 137.32 53.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.373 -0.376 . . . . 74.12 110.859 -178.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 73' ' ' LEU . . . . . 0.528 HD11 ' HG3' ' B' ' 62' ' ' MET . 81.3 mt -109.6 138.07 20.51 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.348 -0.387 . . . . 75.15 110.784 179.1 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 74' ' ' PRO . . . . . 0.69 ' HD2' HD11 ' B' ' 103' ' ' LEU . 21.8 Cg_exo -67.16 142.4 60.91 Favored 'Trans proline' 0 C--N 1.348 0.535 0 C-N-CA 122.907 2.404 . . . . 62.01 111.826 175.185 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -77.21 -19.59 56.47 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.359 0.503 . . . . 71.53 112.359 -176.047 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -81.29 9.78 6.55 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-O 121.141 0.496 . . . . 60.22 111.601 -175.727 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 77' ' ' THR . . . . . 0.476 ' HB ' HD12 ' B' ' 103' ' ' LEU . 9.8 t -77.1 159.7 29.61 Favored 'General case' 0 CA--C 1.537 0.449 0 N-CA-C 112.349 0.5 . . . . 73.25 112.349 -174.837 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 34.1 m -155.87 153.04 29.08 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 115.646 -0.707 . . . . 71.23 109.683 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 82.6 t -131.4 128.09 60.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 N-CA-C 109.343 -0.614 . . . . 54.24 109.343 174.465 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 80' ' ' THR . . . . . 0.567 ' HA ' ' HA ' ' A' ' 10' ' ' THR . 28.0 m -110.53 116.02 30.65 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.753 0.311 . . . . 72.42 110.782 -178.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 81' ' ' ALA . . . . . 0.436 ' HB2' ' HB3' ' B' ' 55' ' ' SER . . . -93.4 105.28 17.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 73.43 110.225 178.755 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -99.71 107.9 20.1 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.086 -0.709 . . . . 71.23 109.086 178.896 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 83' ' ' VAL . . . . . 0.559 HG11 ' HB2' ' B' ' 51' ' ' ALA . 18.8 m -109.67 139.6 32.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 120.89 0.376 . . . . 71.44 111.479 -174.256 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 84' ' ' GLY . . . . . . . . . . . . . . . -132.52 152.1 20.14 Favored Glycine 0 N--CA 1.442 -0.959 0 N-CA-C 110.954 -0.858 . . . . 52.45 110.954 175.738 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -132.24 129.25 59.66 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.859 0 N-CA-C 109.276 -0.638 . . . . 73.1 109.276 -179.52 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 86' ' ' GLY . . . . . 0.486 ' HA2' ' HG ' ' A' ' 4' ' ' LEU . . . -142.16 169.84 25.22 Favored Glycine 0 N--CA 1.451 -0.331 0 O-C-N 124.083 0.864 . . . . 52.3 111.155 -178.341 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 87' ' ' PRO . . . . . 0.64 ' HD3' ' HG ' ' A' ' 4' ' ' LEU . 15.4 Cg_endo -88.75 129.56 2.14 Favored 'Trans proline' 0 N--CA 1.451 -1.025 0 C-N-CA 122.72 2.28 . . . . 61.3 112.598 -176.024 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 88' ' ' ASN . . . . . . . . . . . . . 52.3 t-20 -70.25 140.29 52.35 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.039 -0.982 . . . . 72.3 108.418 173.309 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -61.36 -19.17 61.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.889 0.376 . . . . 65.22 111.016 -177.567 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -71.08 -18.79 62.53 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 115.938 -0.574 . . . . 74.05 111.178 178.814 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.72 35.53 3.24 Favored Glycine 0 C--O 1.235 0.173 0 CA-C-N 116.01 -0.541 . . . . 72.2 112.614 -179.392 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . -135.19 -170.62 12.19 Favored Glycine 0 N--CA 1.452 -0.286 0 N-CA-C 111.063 -0.815 . . . . 70.13 111.063 175.494 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 93' ' ' PHE . . . . . . . . . . . . . 59.2 m-85 -103.29 151.53 22.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 117.13 0.465 . . . . 73.12 110.379 177.199 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -138.59 131.4 29.42 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.916 -0.583 . . . . 62.21 110.001 -177.655 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -101.71 125.67 48.42 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.084 -0.507 . . . . 74.21 111.002 -178.572 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 96' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -114.78 110.54 19.86 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.31 -0.859 . . . . 73.53 109.317 175.547 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 97' ' ' VAL . . . . . 0.495 HG13 HG13 ' B' ' 134' ' ' VAL . 1.5 p -114.52 117.34 55.3 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 CA-C-O 121.695 0.759 . . . . 65.34 111.231 -176.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -100.56 110.55 22.71 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 114.742 -1.117 . . . . 74.42 109.34 -179.504 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 89.9 mt -94.04 109.8 21.53 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.836 -0.431 . . . . 61.12 109.836 -179.169 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 100' ' ' ARG . . . . . 0.585 ' HA ' ' O ' ' B' ' 137' ' ' VAL . 42.4 ttt180 -99.32 109.58 22.19 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.455 -0.793 . . . . 64.11 109.761 -174.203 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 101' ' ' VAL . . . . . 0.424 HG21 HG22 ' B' ' 115' ' ' VAL . 73.5 t -95.94 112.21 27.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 115.73 -0.668 . . . . 60.12 111.448 -173.129 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 102' ' ' ALA . . . . . 0.513 ' HA ' ' HB3' ' B' ' 139' ' ' ALA . . . -107.74 101.49 10.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.938 0.399 . . . . 53.32 110.463 178.351 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 103' ' ' LEU . . . . . 0.739 HD23 HD22 ' B' ' 106' ' ' LEU . 29.0 tp -118.48 119.21 33.13 Favored Pre-proline 0 C--N 1.326 -0.441 0 N-CA-C 108.737 -0.838 . . . . 72.24 108.737 177.168 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 104' ' ' PRO . . . . . 0.537 ' HG2' ' HB2' ' B' ' 74' ' ' PRO . 39.6 Cg_endo -67.54 144.52 67.1 Favored 'Trans proline' 0 N--CA 1.462 -0.361 0 C-N-CA 122.59 2.193 . . . . 74.24 112.527 -176.227 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 105' ' ' GLY . . . . . . . . . . . . . . . 70.47 13.78 71.38 Favored Glycine 0 CA--C 1.521 0.434 0 CA-C-N 115.27 -0.877 . . . . 72.34 112.865 -178.174 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 106' ' ' LEU . . . . . 0.739 HD22 HD23 ' B' ' 103' ' ' LEU . 38.5 tp -112.96 139.43 48.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.86 0.362 . . . . 60.53 110.831 -177.628 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 107' ' ' ASP . . . . . 0.409 ' HB3' ' H ' ' B' ' 110' ' ' ALA . 1.8 t70 -77.46 166.67 22.8 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 115.928 -0.578 . . . . 63.12 110.584 -179.816 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -68.98 -44.53 72.67 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.407 -0.815 . . . . 34.32 110.142 170.728 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -64.73 -46.51 81.95 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.666 -0.697 . . . . 64.51 110.603 -177.293 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 110' ' ' ALA . . . . . 0.535 ' O ' ' HG ' ' B' ' 114' ' ' LEU . . . -68.7 -43.71 75.48 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.707 -0.679 . . . . 72.03 109.731 179.255 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 111' ' ' ALA . . . . . 0.561 ' O ' HG23 ' B' ' 115' ' ' VAL . . . -54.59 -43.24 71.97 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.124 -0.489 . . . . 64.14 111.079 178.371 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 112' ' ' LYS . . . . . . . . . . . . . 30.8 mmtm -51.02 -49.34 60.66 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 116.18 -0.464 . . . . 74.45 110.929 -179.573 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 113' ' ' THR . . . . . 0.513 HG22 ' O ' ' B' ' 110' ' ' ALA . 2.8 t -74.88 -37.41 62.17 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 116.27 -0.423 . . . . 72.03 110.821 -175.868 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 114' ' ' LEU . . . . . 0.535 ' HG ' ' O ' ' B' ' 110' ' ' ALA . 30.9 mt -61.52 -44.52 96.9 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.188 -0.46 . . . . 70.23 110.978 -178.218 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 115' ' ' VAL . . . . . 0.561 HG23 ' O ' ' B' ' 111' ' ' ALA . 48.7 t -63.4 -41.58 93.24 Favored 'Isoleucine or valine' 0 C--O 1.243 0.722 0 CA-C-O 121.312 0.577 . . . . 63.55 110.164 178.279 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -54.93 -60.15 3.76 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 115.032 -0.985 . . . . 75.43 110.224 -179.762 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 117' ' ' ARG . . . . . 0.504 ' O ' ' HB3' ' B' ' 120' ' ' HIS . 14.1 ptm180 -66.07 -33.99 77.04 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.527 -0.76 . . . . 70.2 111.032 -177.357 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -58.59 -40.23 82.59 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.827 -0.624 . . . . 61.11 110.655 177.226 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 33.2 m-70 -73.55 -6.32 45.8 Favored 'General case' 0 N--CA 1.466 0.344 0 N-CA-C 112.288 0.477 . . . . 74.31 112.288 178.629 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 120' ' ' HIS . . . . . 0.504 ' HB3' ' O ' ' B' ' 117' ' ' ARG . 19.0 t-80 -72.29 -26.26 61.9 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 120.795 0.331 . . . . 61.52 110.507 175.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 27.6 m -113.64 21.1 6.39 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.31 0 CA-C-N 116.117 -0.492 . . . . 63.42 110.711 -179.734 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 122' ' ' CYS . . . . . 0.412 ' HA ' ' HD3' ' B' ' 123' ' ' PRO . 39.9 t -65.26 129.16 94.34 Favored Pre-proline 0 CA--C 1.534 0.339 0 CA-C-N 115.712 -0.677 . . . . 74.53 111.204 -177.148 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 123' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' B' ' 122' ' ' CYS . 50.2 Cg_exo -56.35 -50.19 12.78 Favored 'Trans proline' 0 C--N 1.356 0.97 0 C-N-CA 122.758 2.305 . . . . 65.25 111.946 178.863 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 124' ' ' TYR . . . . . 0.612 ' HB3' HG21 ' B' ' 128' ' ' THR . 55.9 m-85 -67.27 113.78 5.45 Favored 'General case' 0 CA--C 1.532 0.269 0 N-CA-C 107.971 -1.122 . . . . 65.35 107.971 175.549 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 125' ' ' SER . . . . . 0.543 ' O ' HG22 ' B' ' 128' ' ' THR . 21.7 m -64.32 -175.21 0.15 Allowed 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 114.956 1.465 . . . . 64.23 114.956 -161.021 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 126' ' ' ASN . . . . . . . . . . . . . 31.7 m-20 -63.19 -50.24 71.11 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 114.596 -1.184 . . . . 74.24 111.425 -169.47 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 127' ' ' ALA . . . . . 0.473 ' HB3' ' CB ' ' A' ' 127' ' ' ALA . . . -66.29 2.5 1.19 Allowed 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.706 -0.679 . . . . 65.3 112.268 -175.385 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 128' ' ' THR . . . . . 0.612 HG21 ' HB3' ' B' ' 124' ' ' TYR . 0.6 OUTLIER -110.98 -13.18 14.14 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-O 120.808 0.337 . . . . 55.14 110.418 -179.867 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 129' ' ' ARG . . . . . . . . . . . . . 19.3 ptt85 -117.88 -41.9 2.87 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 121.14 0.495 . . . . 75.21 110.823 -178.15 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 130' ' ' ASN . . . . . . . . . . . . . 15.9 m120 -77.73 -49.68 13.94 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.698 -0.683 . . . . 74.14 110.545 178.482 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 131' ' ' ASN . . . . . . . . . . . . . 48.5 t30 -72.81 -43.95 62.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 75.43 111.01 -177.429 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 132' ' ' VAL . . . . . . . . . . . . . 55.7 t -82.11 148.11 5.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.973 -0.558 . . . . 52.13 109.583 177.695 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 133' ' ' ALA . . . . . . . . . . . . . . . -77.24 87.31 3.67 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.414 0.626 . . . . 72.23 111.311 -176.883 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 134' ' ' VAL . . . . . 0.495 HG13 HG13 ' B' ' 97' ' ' VAL . 11.3 t -103.98 112.75 38.72 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.654 0 CA-C-N 115.482 -0.781 . . . . 61.1 110.255 172.576 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 3.8 mpt_? -88.73 122.48 32.19 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.017 -0.538 . . . . 74.32 110.252 177.293 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 85.0 mt -88.81 117.01 27.5 Favored 'General case' 0 N--CA 1.447 -0.615 0 CA-C-N 116.063 -0.517 . . . . 72.41 109.963 176.861 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 137' ' ' VAL . . . . . 0.585 ' O ' ' HA ' ' B' ' 100' ' ' ARG . 0.6 OUTLIER -126.66 124.32 64.85 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-N 115.337 -0.847 . . . . 72.22 109.792 -177.48 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 138' ' ' VAL . . . . . . . . . . . . . 2.3 m -90.9 137.7 21.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 N-CA-C 108.943 -0.762 . . . . 70.52 108.943 -179.694 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 139' ' ' ALA . . . . . 0.513 ' HB3' ' HA ' ' B' ' 102' ' ' ALA . . . . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.663 -0.684 . . . . 71.35 111.418 -171.265 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.5 ptm . . . . . 0 N--CA 1.482 1.141 0 N-CA-C 110.232 -0.284 . . . . 71.43 110.232 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.48 ' O ' ' HD2' ' B' ' 87' ' ' PRO . 48.2 t30 -99.42 82.51 2.68 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.286 -0.416 . . . . 75.52 110.008 -179.454 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.508 HG21 ' HB2' ' A' ' 6' ' ' LYS . 32.4 mm -65.32 116.17 4.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 121.092 0.472 . . . . 51.02 111.417 178.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.656 ' HG ' ' HD3' ' B' ' 87' ' ' PRO . 85.7 mt -81.43 -37.36 28.21 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.337 -0.847 . . . . 74.21 109.891 177.333 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 28.0 t80 -141.86 134.49 28.37 Favored 'General case' 0 C--O 1.222 -0.36 0 CA-C-N 115.972 -0.558 . . . . 54.43 110.119 -179.567 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.508 ' HB2' HG21 ' A' ' 3' ' ' ILE . 28.5 ttmt -143.34 141.92 31.12 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.192 0.52 . . . . 62.42 110.944 174.594 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.4 HG21 ' HB2' ' B' ' 48' ' ' GLN . 7.7 t -144.0 166.59 24.53 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 114.99 -1.004 . . . . 73.02 109.369 178.151 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.41 ' HA ' ' HA ' ' B' ' 82' ' ' GLU . . . -131.61 146.77 52.37 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 120.996 0.427 . . . . 64.34 111.798 -175.023 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -138.67 124.64 20.0 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.978 -0.555 . . . . 65.14 110.239 176.63 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.548 ' HA ' ' HA ' ' B' ' 80' ' ' THR . 15.3 t -107.17 142.21 37.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.939 0.399 . . . . 73.43 110.287 -178.873 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 41.8 p -124.84 113.56 18.06 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.167 -0.47 . . . . 71.32 110.345 -178.617 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.597 ' HA ' HG22 ' B' ' 78' ' ' THR . 3.1 m -88.8 156.91 18.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.047 -0.524 . . . . 72.12 111.286 -177.598 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -76.31 73.82 1.76 Allowed Glycine 0 N--CA 1.45 -0.385 0 CA-C-N 116.098 -0.501 . . . . 62.44 111.898 173.867 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -71.44 -144.97 0.38 Allowed Glycine 0 CA--C 1.521 0.445 0 C-N-CA 121.353 -0.451 . . . . 62.02 112.401 177.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 5.9 tpp180 -54.05 -49.24 69.43 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-O 120.946 0.403 . . . . 73.04 109.95 179.384 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.525 ' HB3' ' HA ' ' A' ' 31' ' ' SER . 29.2 t70 -125.71 -42.56 1.92 Allowed 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 108.74 -0.837 . . . . 74.22 108.74 167.305 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -166.05 165.57 38.2 Favored Glycine 0 N--CA 1.446 -0.672 0 C-N-CA 120.813 -0.708 . . . . 73.12 112.084 167.276 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.522 ' HA ' ' HA ' ' A' ' 29' ' ' LYS . 43.9 mtt-85 -122.04 171.24 9.11 Favored 'General case' 0 C--N 1.321 -0.645 0 C-N-CA 122.824 0.45 . . . . 73.24 109.881 174.915 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -153.87 123.56 6.72 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 108.943 -0.762 . . . . 71.12 108.943 171.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 32.4 m -140.31 114.24 8.94 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-O 120.693 0.282 . . . . 63.53 110.583 -176.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.514 ' HB3' ' N ' ' A' ' 26' ' ' LEU . 29.1 t -71.61 109.45 5.55 Favored 'General case' 0 C--O 1.248 1.003 0 N-CA-C 107.866 -1.161 . . . . 62.3 107.866 174.849 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.46 ' C ' ' H ' ' A' ' 24' ' ' GLN . 49.8 t-80 -56.78 -21.62 29.94 Favored 'General case' 0 N--CA 1.472 0.656 0 O-C-N 125.982 2.051 . . . . 71.44 112.418 -168.471 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.486 ' HB2' ' HG2' ' A' ' 25' ' ' LYS . 1.3 m-20 -79.91 19.81 0.67 Allowed 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 109.283 -0.636 . . . . 73.43 109.283 178.026 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.46 ' H ' ' C ' ' A' ' 22' ' ' HIS . 25.6 mm-40 64.4 20.61 12.23 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 115.335 -0.848 . . . . 72.53 109.999 177.422 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.486 ' HG2' ' HB2' ' A' ' 23' ' ' ASP . 32.0 mmtp -81.97 -35.88 28.52 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 115.088 -0.96 . . . . 73.44 110.034 -179.404 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.514 ' N ' ' HB3' ' A' ' 21' ' ' SER . 54.1 tp -143.57 145.82 32.82 Favored 'General case' 0 CA--C 1.51 -0.589 0 C-N-CA 120.011 -0.675 . . . . 74.42 111.96 -172.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -155.42 91.4 1.32 Allowed 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 114.733 -1.121 . . . . 74.13 110.156 -178.084 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 5.0 m -139.62 178.13 3.91 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.386 0 CA-C-N 115.949 -0.568 . . . . 62.12 111.697 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.522 ' HA ' ' HA ' ' A' ' 18' ' ' ARG . 4.8 ttpp -137.83 144.2 41.36 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.279 -0.873 . . . . 62.42 110.15 -178.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.678 ' HA ' ' H ' ' A' ' 44' ' ' THR . 0.0 OUTLIER -126.42 162.62 25.14 Favored 'General case' 0 C--O 1.251 1.15 0 CA-C-O 121.045 0.45 . . . . 64.12 110.959 179.362 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.525 ' HA ' ' HB3' ' A' ' 16' ' ' ASP . 30.9 p -171.07 146.02 2.37 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 115.221 -0.9 . . . . 75.34 110.955 -173.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -76.75 125.58 86.98 Favored Pre-proline 0 C--O 1.24 0.568 0 CA-C-N 116.087 -0.506 . . . . 52.21 110.943 -179.434 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -58.88 147.37 89.53 Favored 'Trans proline' 0 C--N 1.35 0.615 0 C-N-CA 122.733 2.289 . . . . 73.33 111.348 176.241 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 30.6 tpt180 -68.78 -16.7 63.87 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.324 -0.398 . . . . 50.12 110.917 -175.122 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -51.69 -37.36 50.37 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 116.126 -0.488 . . . . 75.14 111.116 178.704 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 54.4 mt -102.23 22.25 13.61 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.881 -0.6 . . . . 63.44 110.625 -176.061 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 79.08 25.69 59.27 Favored Glycine 0 N--CA 1.452 -0.252 0 CA-C-N 115.85 -0.613 . . . . 72.22 111.793 -177.502 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -81.1 -128.99 0.92 Allowed Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 121.156 -0.545 . . . . 73.44 111.841 -178.83 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -128.61 -7.1 5.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 122.65 -0.324 . . . . 63.22 111.412 -179.354 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 59.11 26.63 61.43 Favored Glycine 0 C--N 1.329 0.144 0 C-N-CA 121.13 -0.557 . . . . 45.53 112.687 -178.853 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -79.9 147.27 31.74 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 110.513 -0.18 . . . . 44.21 110.513 -179.771 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -68.83 87.33 0.35 Allowed 'General case' 0 C--O 1.236 0.362 0 CA-C-O 122.157 0.98 . . . . 71.23 110.337 177.742 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -140.26 -144.19 4.45 Favored Glycine 0 C--N 1.311 -0.839 0 CA-C-N 114.353 -1.294 . . . . 55.55 111.604 174.413 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.678 ' H ' ' HA ' ' A' ' 30' ' ' LEU . 85.9 m -143.96 159.88 41.81 Favored 'General case' 0 N--CA 1.444 -0.728 0 N-CA-C 109.815 -0.439 . . . . 74.01 109.815 -179.72 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 44.3 m-20 -91.43 124.88 59.82 Favored Pre-proline 0 C--O 1.236 0.378 0 N-CA-C 109.895 -0.409 . . . . 72.33 109.895 173.148 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -55.21 -34.35 87.68 Favored 'Trans proline' 0 C--N 1.349 0.566 0 C-N-CA 122.786 2.324 . . . . 63.04 112.277 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -58.37 -42.87 87.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.888 -0.597 . . . . 62.13 110.736 179.762 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -65.22 -37.67 87.99 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.943 -0.572 . . . . 72.35 109.706 177.451 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.565 HD12 ' HA3' ' B' ' 53' ' ' GLY . 3.4 tm? -62.4 -48.42 79.79 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 115.469 -0.787 . . . . 71.11 109.979 -178.869 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 62.9 t80 -63.24 -47.08 83.98 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 116.228 -0.442 . . . . 64.45 110.452 177.363 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.419 ' HB2' HG11 ' A' ' 83' ' ' VAL . . . -54.4 -53.11 58.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.946 -0.57 . . . . 52.03 111.65 179.005 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.553 ' HB1' ' HB1' ' B' ' 19' ' ' ALA . . . -65.09 -46.26 81.83 Favored 'General case' 0 C--O 1.237 0.444 0 CA-C-O 121.133 0.492 . . . . 51.43 110.521 -177.866 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.506 ' HA3' HD12 ' B' ' 49' ' ' LEU . . . -60.71 -45.19 96.89 Favored Glycine 0 N--CA 1.447 -0.617 0 CA-C-N 115.486 -0.779 . . . . 45.35 112.612 -179.041 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 7.2 t80 -72.83 -39.53 66.52 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.54 0.17 . . . . 71.4 111.032 -177.691 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.462 ' HB3' ' HB2' ' A' ' 81' ' ' ALA . 61.3 p -62.92 -43.49 98.64 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.882 0.373 . . . . 50.31 110.261 179.708 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.505 ' HB1' HD21 ' B' ' 30' ' ' LEU . . . -70.63 -44.36 67.33 Favored 'General case' 0 CA--C 1.528 0.126 0 CA-C-N 116.021 -0.536 . . . . 72.41 110.442 176.708 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.441 ' SG ' ' HB3' ' B' ' 46' ' ' PRO . 42.5 t -56.43 -35.85 68.31 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 115.84 -0.618 . . . . 74.4 110.455 177.604 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 19.0 t80 -55.59 -31.57 62.34 Favored 'General case' 0 CA--C 1.529 0.135 0 CA-C-N 115.804 -0.635 . . . . 64.12 110.315 -178.311 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 63.4 tp -67.84 -48.5 66.0 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.182 -0.463 . . . . 74.12 110.066 176.617 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.466 ' O ' ' HB3' ' A' ' 63' ' ' LYS . 2.9 m -60.67 -40.59 92.67 Favored 'General case' 0 C--O 1.24 0.567 0 CA-C-O 121.388 0.613 . . . . 74.4 110.167 178.801 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.4 ' O ' HG23 ' A' ' 65' ' ' VAL . . . -62.13 -49.99 73.67 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.656 -0.702 . . . . 64.15 109.92 177.309 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 82.3 mmm -67.55 -20.49 65.41 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.771 -0.65 . . . . 61.32 111.016 178.191 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.466 ' HB3' ' O ' ' A' ' 60' ' ' SER . 7.1 tmtm? -68.06 -48.99 64.07 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 108.841 -0.8 . . . . 62.32 108.841 173.666 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 60.7 t80 -62.51 -40.99 98.5 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 115.888 -0.597 . . . . 70.35 110.246 175.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.4 HG23 ' O ' ' A' ' 61' ' ' ALA . 53.2 t -61.92 -50.38 80.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.017 -0.538 . . . . 51.41 110.744 178.233 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.407 ' HA ' ' HG3' ' A' ' 71' ' ' GLN . . . -56.89 -31.86 65.29 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.985 0.421 . . . . 55.45 110.478 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -68.16 -33.49 78.61 Favored Glycine 0 CA--C 1.517 0.181 0 CA-C-N 115.364 -0.835 . . . . 65.01 112.32 -177.727 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 9.5 pt20 -94.37 -19.15 20.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.208 0.528 . . . . 73.33 109.626 -178.39 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 16.0 m-80 -93.76 2.59 56.21 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.395 -0.82 . . . . 73.35 110.751 -179.192 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 22.5 mmtm 63.0 28.3 16.2 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 115.385 -0.825 . . . . 70.5 111.119 172.019 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.407 ' HG3' ' HA ' ' A' ' 66' ' ' ALA . 2.4 pt20 -122.06 168.61 11.74 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.064 -0.516 . . . . 65.11 110.782 -177.681 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 15.9 p -124.89 142.33 51.52 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.78 -0.645 . . . . 71.13 110.171 178.18 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 95.3 mt -109.22 141.38 23.36 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.407 -0.36 . . . . 63.13 110.304 -179.503 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.437 ' O ' HG22 ' A' ' 77' ' ' THR . 33.0 Cg_endo -64.52 121.75 9.42 Favored 'Trans proline' 0 C--N 1.348 0.548 0 C-N-CA 122.62 2.213 . . . . 75.32 111.967 179.113 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -77.1 1.62 17.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.929 0.395 . . . . 74.43 111.774 -177.806 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -90.9 0.43 57.5 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.314 0.578 . . . . 72.44 110.637 -179.102 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.558 ' HA ' ' HD3' ' A' ' 104' ' ' PRO . 4.2 t -69.65 160.5 31.47 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.593 -0.73 . . . . 73.42 112.493 -174.215 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 27.7 m -143.26 149.3 37.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 114.882 -1.054 . . . . 65.01 109.407 177.527 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 60.1 t -129.31 149.65 33.87 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 N-CA-C 109.095 -0.705 . . . . 73.54 109.095 179.697 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 48.0 m -135.74 111.87 9.67 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.989 0.423 . . . . 61.0 110.54 172.128 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.462 ' HB2' ' HB3' ' A' ' 55' ' ' SER . . . -93.07 108.89 20.38 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.413 -0.588 . . . . 75.0 109.413 176.475 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.484 ' HG2' ' HD3' ' B' ' 6' ' ' LYS . 41.0 tt0 -109.94 107.62 17.6 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.803 -0.444 . . . . 74.0 109.803 -176.923 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.615 HG12 HG13 ' A' ' 97' ' ' VAL . 30.0 m -108.89 145.79 15.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.834 0.35 . . . . 74.25 110.99 -176.388 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.483 ' HA2' ' HA ' ' B' ' 6' ' ' LYS . . . -139.28 163.71 25.99 Favored Glycine 0 N--CA 1.446 -0.691 0 C-N-CA 121.274 -0.489 . . . . 64.22 112.014 -179.621 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -135.84 130.75 49.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 N-CA-C 108.916 -0.772 . . . . 71.32 108.916 179.496 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -151.7 169.76 31.17 Favored Glycine 0 N--CA 1.453 -0.183 0 CA-C-N 115.459 -0.791 . . . . 64.2 111.463 -179.456 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.734 ' HD3' ' HG ' ' B' ' 4' ' ' LEU . 6.3 Cg_exo -77.44 121.23 5.54 Favored 'Trans proline' 0 N--CA 1.46 -0.489 0 C-N-CA 122.865 2.376 . . . . 75.13 111.939 -178.578 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ASN . . . . . 0.542 ' HB2' ' HB2' ' A' ' 94' ' ' ALA . 24.9 t-20 -74.09 151.82 40.05 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.136 -0.483 . . . . 63.43 109.783 177.733 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -60.56 -13.56 14.86 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 116.343 -0.389 . . . . 74.31 111.766 -178.587 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -68.99 -27.31 65.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.068 0.461 . . . . 62.35 111.111 176.346 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.03 35.25 3.48 Favored Glycine 0 N--CA 1.454 -0.146 0 N-CA-C 111.16 -0.776 . . . . 52.42 111.16 -172.768 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' GLY . . . . . 0.459 ' O ' ' HA ' ' A' ' 87' ' ' PRO . . . -145.86 -158.71 7.83 Favored Glycine 0 CA--C 1.51 -0.28 0 N-CA-C 111.048 -0.821 . . . . 74.12 111.048 179.804 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 29.8 m-85 -99.51 160.03 14.59 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 117.377 0.589 . . . . 72.25 110.781 178.192 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.542 ' HB2' ' HB2' ' A' ' 88' ' ' ASN . . . -150.71 136.71 18.36 Favored 'General case' 0 C--O 1.239 0.505 0 CA-C-N 115.869 -0.605 . . . . 73.43 109.979 176.038 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -97.49 123.44 41.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.908 -0.587 . . . . 75.45 110.19 177.724 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.411 ' HB3' HD11 ' B' ' 3' ' ' ILE . 27.3 t70 -109.99 110.65 21.64 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.297 -0.865 . . . . 62.1 109.334 178.566 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.615 HG13 HG12 ' A' ' 83' ' ' VAL . 61.3 t -108.47 110.52 32.3 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.929 0 CA-C-N 115.997 -0.547 . . . . 41.42 110.722 -175.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -98.27 106.47 18.77 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.7 -0.482 . . . . 51.52 109.7 175.085 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 27.4 tp -93.94 110.17 21.86 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.091 -0.504 . . . . 73.33 109.843 -178.839 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.585 ' HA ' ' O ' ' A' ' 137' ' ' VAL . 28.9 ttm180 -99.58 116.89 32.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.63 -0.714 . . . . 73.43 110.454 -177.2 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.434 HG12 ' CD2' ' A' ' 103' ' ' LEU . 34.3 t -112.83 104.0 16.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.357 -0.383 . . . . 72.23 110.675 -174.26 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -105.91 101.67 11.15 Favored 'General case' 0 N--CA 1.466 0.332 0 N-CA-C 112.088 0.403 . . . . 73.1 112.088 -174.178 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.637 ' HB2' HD23 ' A' ' 106' ' ' LEU . 4.0 mm? -101.18 133.68 20.81 Favored Pre-proline 0 N--CA 1.466 0.338 0 CA-C-N 115.935 -0.575 . . . . 73.31 109.797 174.156 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' PRO . . . . . 0.558 ' HD3' ' HA ' ' A' ' 77' ' ' THR . 74.4 Cg_endo -76.2 148.71 31.09 Favored 'Trans proline' 0 N--CA 1.459 -0.517 0 C-N-CA 122.715 2.277 . . . . 73.52 111.945 177.521 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 64.42 14.57 57.51 Favored Glycine 0 CA--C 1.524 0.63 0 CA-C-N 115.332 -0.849 . . . . 54.45 112.869 -178.654 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.637 HD23 ' HB2' ' A' ' 103' ' ' LEU . 40.5 tp -118.74 138.87 52.36 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-O 120.974 0.416 . . . . 65.03 110.67 -178.738 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -76.48 161.22 28.81 Favored 'General case' 0 CA--C 1.509 -0.628 0 CA-C-N 115.765 -0.652 . . . . 72.42 110.218 178.416 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.576 ' O ' ' HG3' ' A' ' 112' ' ' LYS . . . -68.13 -43.71 77.76 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 115.542 -0.753 . . . . 74.35 109.645 170.112 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -57.64 -51.01 71.25 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 115.801 -0.636 . . . . 64.13 110.844 -178.184 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.468 ' O ' HG22 ' A' ' 113' ' ' THR . . . -68.34 -43.18 78.09 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 115.936 -0.574 . . . . 73.25 110.004 179.143 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -55.26 -35.32 64.88 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 115.757 -0.656 . . . . 54.13 111.694 178.673 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.576 ' HG3' ' O ' ' A' ' 108' ' ' ALA . 68.3 mttm -52.11 -45.62 64.96 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-O 120.534 0.207 . . . . 74.23 111.106 178.455 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 113' ' ' THR . . . . . 0.468 HG22 ' O ' ' A' ' 110' ' ' ALA . 1.6 t -82.2 -37.89 25.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.45 -0.341 . . . . 74.22 110.558 -177.468 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.453 ' HG ' ' O ' ' A' ' 110' ' ' ALA . 44.7 mt -63.17 -50.07 71.82 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-O 120.942 0.401 . . . . 61.01 110.584 -177.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 97.6 t -65.07 -33.08 61.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.918 -0.583 . . . . 72.22 110.086 178.562 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -60.87 -61.01 2.9 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-O 120.926 0.393 . . . . 63.5 110.909 179.537 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' ARG . . . . . 0.453 ' HG2' ' O ' ' A' ' 113' ' ' THR . 13.7 ptm180 -62.09 -40.96 97.6 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.54 -0.754 . . . . 65.24 110.739 -178.14 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -59.89 -44.48 94.2 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.239 0.542 . . . . 63.41 110.061 176.372 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' HIS . . . . . 0.628 ' CE1' HG23 ' A' ' 128' ' ' THR . 43.5 t-80 -79.76 10.01 4.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.496 -0.775 . . . . 74.13 110.522 -179.612 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 6.2 t60 -108.7 -42.79 4.42 Favored 'General case' 0 C--N 1.333 -0.137 0 N-CA-C 109.806 -0.442 . . . . 75.14 109.806 173.584 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 34.3 m -82.79 -33.9 11.11 Favored 'Isoleucine or valine' 0 C--O 1.234 0.251 0 CA-C-N 115.997 -0.547 . . . . 74.54 112.069 -175.134 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 122' ' ' CYS . . . . . 0.55 ' O ' ' HB2' ' A' ' 125' ' ' SER . 74.7 m -68.3 149.51 98.05 Favored Pre-proline 0 CA--C 1.532 0.267 0 CA-C-N 116.869 -0.15 . . . . 72.12 110.601 179.301 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -65.73 171.26 9.96 Favored 'Trans proline' 0 C--N 1.352 0.729 0 C-N-CA 122.582 2.188 . . . . 74.45 112.525 -178.696 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 68.04 4.75 4.22 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 123.382 0.673 . . . . 65.44 109.835 -176.092 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 125' ' ' SER . . . . . 0.627 ' O ' ' HG2' ' A' ' 129' ' ' ARG . 41.3 t -58.63 -53.48 57.91 Favored 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 123.731 0.812 . . . . 62.44 112.571 -169.683 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 29.9 p-10 -69.52 -35.9 75.91 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.208 0.527 . . . . 73.42 110.105 -170.145 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 127' ' ' ALA . . . . . 0.835 ' HB2' ' HB3' ' B' ' 127' ' ' ALA . . . -83.25 5.33 23.38 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.459 -0.791 . . . . 54.1 111.292 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 128' ' ' THR . . . . . 0.628 HG23 ' CE1' ' A' ' 119' ' ' HIS . 1.7 t -129.23 11.41 5.92 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.071 0.462 . . . . 73.21 110.752 -175.317 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 129' ' ' ARG . . . . . 0.627 ' HG2' ' O ' ' A' ' 125' ' ' SER . 15.1 ptm180 -153.06 -43.73 0.1 Allowed 'General case' 0 N--CA 1.446 -0.639 0 CA-C-O 120.897 0.379 . . . . 72.04 111.292 170.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 82.7 m-20 -78.66 -50.35 11.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.291 -0.413 . . . . 71.52 111.056 -175.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -89.52 -27.38 20.33 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.126 -0.488 . . . . 72.12 111.831 -173.248 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 59.3 t -123.52 145.73 30.05 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.248 0 CA-C-O 120.666 0.269 . . . . 70.22 110.601 -173.714 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -75.57 92.03 2.88 Favored 'General case' 0 C--O 1.238 0.494 0 CA-C-O 121.631 0.729 . . . . 45.42 111.396 -176.869 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 134' ' ' VAL . . . . . 0.55 HG22 ' HB ' ' A' ' 97' ' ' VAL . 61.3 t -119.75 109.61 26.71 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.57 0 CA-C-N 114.844 -1.071 . . . . 75.02 110.507 177.569 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 8.2 mmm-85 -80.8 114.06 19.43 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.631 -0.713 . . . . 72.41 109.365 178.141 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.519 HD11 ' ND1' ' A' ' 119' ' ' HIS . 16.6 mt -84.47 101.88 12.38 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.19 0.519 . . . . 50.04 110.6 179.686 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 137' ' ' VAL . . . . . 0.585 ' O ' ' HA ' ' A' ' 100' ' ' ARG . 0.2 OUTLIER -105.43 112.45 38.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 115.494 -0.775 . . . . 74.42 109.614 178.247 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 4.1 m -91.26 139.05 18.37 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-N 115.523 -0.762 . . . . 53.11 109.958 -177.875 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.312 -1.042 0 CA-C-N 115.677 -0.692 . . . . 73.13 110.861 -176.012 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.511 ' HE3' HD13 ' B' ' 3' ' ' ILE . 19.8 ptt? . . . . . 0 C--O 1.236 0.345 0 CA-C-O 121.116 0.484 . . . . 72.42 110.899 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 55.2 t30 -78.34 70.35 4.68 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.791 -0.64 . . . . 61.35 110.501 178.138 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 3' ' ' ILE . . . . . 0.577 HG21 ' HB2' ' B' ' 6' ' ' LYS . 28.6 mm -62.84 137.84 23.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 115.691 -0.686 . . . . 72.42 111.226 176.205 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.734 ' HG ' ' HD3' ' A' ' 87' ' ' PRO . 94.4 mt -90.46 -47.15 7.89 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.797 -0.638 . . . . 75.25 109.871 174.913 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 5' ' ' TYR . . . . . . . . . . . . . 39.5 t80 -136.78 128.12 28.25 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 116.033 -0.531 . . . . 75.45 110.158 -179.005 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 6' ' ' LYS . . . . . 0.577 ' HB2' HG21 ' B' ' 3' ' ' ILE . 31.8 ttmt -133.24 128.91 36.9 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.202 0.525 . . . . 65.01 110.711 178.042 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 8.5 t -119.95 138.14 53.64 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.619 -0.719 . . . . 72.52 109.543 -179.597 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 8' ' ' ALA . . . . . 0.475 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . . . -114.82 136.05 53.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.32 -0.4 . . . . 64.22 110.823 -177.094 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 9' ' ' ALA . . . . . 0.683 ' HA ' ' HA ' ' B' ' 21' ' ' SER . . . -127.03 120.89 30.1 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.089 0.471 . . . . 31.45 110.861 179.583 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 60.9 m -96.85 114.02 25.61 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.565 -0.743 . . . . 64.31 110.037 -179.617 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 11' ' ' SER . . . . . 0.422 ' HA ' ' O ' ' B' ' 18' ' ' ARG . 11.8 p -106.12 113.48 27.04 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.845 -0.616 . . . . 74.14 110.477 178.415 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 3.2 m -93.11 156.24 16.98 Favored 'General case' 0 C--O 1.241 0.637 0 CA-C-N 115.92 -0.582 . . . . 53.42 110.875 -179.134 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -78.06 74.39 2.03 Favored Glycine 0 N--CA 1.446 -0.689 0 CA-C-N 115.909 -0.587 . . . . 71.12 111.94 175.483 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -67.78 -138.89 0.06 OUTLIER Glycine 0 CA--C 1.521 0.426 0 C-N-CA 121.347 -0.454 . . . . 73.4 112.098 175.629 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 18.0 mmm180 -65.43 -50.6 64.81 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 117.225 0.512 . . . . 65.14 110.623 176.707 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 16' ' ' ASP . . . . . 0.513 ' HB3' ' HA ' ' B' ' 31' ' ' SER . 10.4 t70 -125.72 -43.12 1.88 Allowed 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.129 -0.693 . . . . 65.33 109.129 172.056 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 17' ' ' GLY . . . . . 0.405 ' HA3' ' CD2' ' B' ' 30' ' ' LEU . . . -164.89 151.85 21.09 Favored Glycine 0 C--N 1.342 0.9 0 C-N-CA 120.204 -0.998 . . . . 74.22 111.768 163.534 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 18' ' ' ARG . . . . . 0.422 ' O ' ' HA ' ' B' ' 11' ' ' SER . 26.1 tpt85 -132.02 100.99 5.24 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.769 -0.456 . . . . 74.4 109.769 -179.528 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 19' ' ' ALA . . . . . 0.553 ' HB1' ' HB1' ' A' ' 52' ' ' ALA . . . -99.5 124.03 44.3 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 120.558 0.218 . . . . 64.21 110.444 -174.24 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 30.2 m -138.46 112.31 8.4 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 110.483 -0.191 . . . . 75.11 110.483 -177.812 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 21' ' ' SER . . . . . 0.683 ' HA ' ' HA ' ' B' ' 9' ' ' ALA . 13.1 t -65.21 107.21 1.51 Allowed 'General case' 0 C--O 1.245 0.851 0 N-CA-C 106.697 -1.594 . . . . 74.21 106.697 179.096 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 22' ' ' HIS . . . . . 0.479 ' H ' ' HA ' ' B' ' 9' ' ' ALA . 39.8 t-80 -55.0 -26.3 36.03 Favored 'General case' 0 C--N 1.348 0.501 0 O-C-N 126.462 2.351 . . . . 73.12 112.644 -165.195 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -80.48 17.27 1.12 Allowed 'General case' 0 C--N 1.317 -0.815 0 CA-C-O 121.292 0.568 . . . . 63.54 109.907 178.66 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 28.1 mm-40 68.38 29.78 5.68 Favored 'General case' 0 CA--C 1.518 -0.276 0 CA-C-N 114.783 -1.099 . . . . 71.43 110.565 173.392 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 8.2 mtmp? -103.23 -11.0 18.3 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 115.665 -0.698 . . . . 41.25 112.157 176.439 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 26' ' ' LEU . . . . . 0.625 ' HB3' ' HB2' ' B' ' 21' ' ' SER . 50.1 tp -150.16 148.56 29.1 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 119.582 -0.847 . . . . 71.52 110.95 173.142 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -158.34 91.0 1.06 Allowed 'General case' 0 CA--C 1.536 0.415 0 O-C-N 123.497 0.498 . . . . 53.33 110.403 178.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 4.9 m -143.28 177.91 2.27 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.441 0 CA-C-O 121.686 0.755 . . . . 74.12 112.175 178.712 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -126.48 146.48 50.09 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 114.752 -1.113 . . . . 64.31 109.728 179.333 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 30' ' ' LEU . . . . . 0.892 ' HA ' ' H ' ' B' ' 44' ' ' THR . 0.0 OUTLIER -129.05 166.07 19.94 Favored 'General case' 0 C--O 1.253 1.251 0 CA-C-O 120.65 0.262 . . . . 72.32 110.446 176.257 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 31' ' ' SER . . . . . 0.513 ' HA ' ' HB3' ' B' ' 16' ' ' ASP . 29.9 m -155.05 135.56 13.39 Favored 'General case' 0 N--CA 1.455 -0.195 0 CA-C-N 115.562 -0.744 . . . . 62.35 111.115 -174.337 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -74.72 130.38 81.58 Favored Pre-proline 0 C--O 1.239 0.526 0 CA-C-N 116.288 -0.414 . . . . 75.13 110.463 175.865 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 33' ' ' PRO . . . . . 0.596 ' HG2' HD23 ' B' ' 36' ' ' LEU . 9.9 Cg_endo -51.33 122.26 9.82 Favored 'Trans proline' 0 C--N 1.351 0.664 0 C-N-CA 122.671 2.247 . . . . 71.3 111.532 179.36 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 34' ' ' ARG . . . . . 0.512 ' HB2' ' HA2' ' B' ' 40' ' ' GLY . 0.6 OUTLIER -51.04 -37.21 44.02 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 115.409 -0.814 . . . . 71.43 110.934 -174.393 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -50.6 -38.18 44.23 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 115.932 -0.576 . . . . 72.42 112.509 -172.013 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.596 HD23 ' HG2' ' B' ' 33' ' ' PRO . 1.7 mm? -88.58 -26.53 21.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.779 0.323 . . . . 63.52 110.573 -174.38 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 135.67 44.67 0.1 OUTLIER Glycine 0 C--N 1.331 0.251 0 C-N-CA 121.13 -0.557 . . . . 51.22 112.592 179.154 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -100.37 -137.25 9.71 Favored Glycine 0 N--CA 1.445 -0.747 0 N-CA-C 111.294 -0.723 . . . . 64.12 111.294 178.457 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -116.48 -8.19 11.59 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 120.805 0.336 . . . . 71.25 111.576 -177.177 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 40' ' ' GLY . . . . . 0.512 ' HA2' ' HB2' ' B' ' 34' ' ' ARG . . . 64.5 24.65 69.53 Favored Glycine 0 C--N 1.333 0.395 0 C-N-CA 121.108 -0.568 . . . . 53.13 112.762 -176.392 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -78.56 161.63 26.87 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.747 0.308 . . . . 45.11 110.873 -177.522 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -87.91 37.21 0.79 Allowed 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 116.246 -0.434 . . . . 74.14 112.061 -173.199 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -97.7 -162.23 31.22 Favored Glycine 0 CA--C 1.521 0.416 0 C-N-CA 121.195 -0.526 . . . . 72.12 112.527 178.77 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 44' ' ' THR . . . . . 0.892 ' H ' ' HA ' ' B' ' 30' ' ' LEU . 62.0 m -98.5 133.03 43.44 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 110.276 -0.268 . . . . 35.03 110.276 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 45' ' ' ASN . . . . . 0.579 ' HB2' ' HB3' ' B' ' 48' ' ' GLN . 2.4 m-20 -61.62 141.51 94.81 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 116.92 -0.127 . . . . 71.14 111.105 -179.221 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 46' ' ' PRO . . . . . 0.441 ' HB3' ' SG ' ' A' ' 57' ' ' CYS . 26.4 Cg_exo -63.58 -55.32 0.72 Allowed 'Trans proline' 0 C--N 1.35 0.641 0 C-N-CA 123.225 2.617 . . . . 54.41 112.913 -178.318 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 47' ' ' GLU . . . . . 0.465 ' OE1' ' HB3' ' B' ' 45' ' ' ASN . 1.4 pm0 -65.2 -35.51 81.28 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-O 121.158 0.504 . . . . 73.03 110.092 -178.606 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 48' ' ' GLN . . . . . 0.579 ' HB3' ' HB2' ' B' ' 45' ' ' ASN . 24.6 tt0 -60.7 -40.33 91.86 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.57 -0.741 . . . . 65.22 110.128 173.892 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 49' ' ' LEU . . . . . 0.506 HD12 ' HA3' ' A' ' 53' ' ' GLY . 3.4 tm? -64.82 -50.97 64.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.196 -0.911 . . . . 73.15 110.238 -178.595 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 35.5 t80 -59.47 -49.79 76.42 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.398 -0.364 . . . . 74.53 110.585 178.889 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -53.16 -50.39 64.69 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.294 -0.412 . . . . 63.22 111.205 178.613 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.34 -49.04 79.34 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-N 116.069 -0.514 . . . . 74.31 111.136 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 53' ' ' GLY . . . . . 0.565 ' HA3' HD12 ' A' ' 49' ' ' LEU . . . -64.82 -36.52 93.2 Favored Glycine 0 N--CA 1.451 -0.339 0 CA-C-N 115.843 -0.617 . . . . 73.22 112.168 -179.053 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -70.83 -35.9 72.67 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.717 -0.475 . . . . 73.14 109.717 179.671 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 10.3 t -63.81 -50.92 67.04 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 116.059 -0.519 . . . . 71.55 109.65 178.106 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.92 -41.12 95.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.671 -0.695 . . . . 72.32 110.763 179.245 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 57' ' ' CYS . . . . . . . . . . . . . 51.9 t -63.43 -38.02 89.52 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.892 -0.594 . . . . 72.4 109.98 178.426 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 27.2 t80 -67.0 -35.37 79.8 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.01 -0.541 . . . . 52.32 109.615 -178.069 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 59' ' ' LEU . . . . . 0.415 ' O ' ' HG3' ' B' ' 63' ' ' LYS . 60.5 tp -64.24 -54.18 37.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.608 -0.724 . . . . 64.41 110.531 178.139 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 60' ' ' SER . . . . . 0.659 ' HA ' ' HD3' ' B' ' 63' ' ' LYS . 9.5 t -65.17 -41.71 94.41 Favored 'General case' 0 C--O 1.238 0.457 0 CA-C-O 121.122 0.487 . . . . 73.23 110.394 -178.226 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 61' ' ' ALA . . . . . 0.446 ' O ' HG23 ' B' ' 65' ' ' VAL . . . -59.63 -45.13 92.87 Favored 'General case' 0 C--N 1.334 -0.104 0 CA-C-N 115.968 -0.56 . . . . 44.1 110.225 177.305 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 62' ' ' MET . . . . . 0.448 ' HG3' ' CD2' ' B' ' 73' ' ' LEU . 5.3 tpt -56.63 -39.09 73.04 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 115.849 -0.614 . . . . 71.0 110.212 177.239 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 63' ' ' LYS . . . . . 0.659 ' HD3' ' HA ' ' B' ' 60' ' ' SER . 56.1 mtpt -62.41 -51.98 65.37 Favored 'General case' 0 CA--C 1.53 0.178 0 CA-C-N 115.828 -0.623 . . . . 72.03 110.67 178.049 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 47.2 t80 -63.17 -37.29 86.64 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 121.017 0.436 . . . . 73.11 110.646 179.634 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 65' ' ' VAL . . . . . 0.446 HG23 ' O ' ' B' ' 61' ' ' ALA . 38.4 t -59.05 -43.08 88.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.048 -0.524 . . . . 75.05 110.152 176.596 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -58.84 -31.54 68.6 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.073 -0.512 . . . . 74.13 110.515 177.406 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -71.16 -29.86 68.19 Favored Glycine 0 C--N 1.329 0.192 0 CA-C-N 115.495 -0.775 . . . . 75.04 112.222 -177.227 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -97.25 -14.5 21.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.223 0.535 . . . . 64.5 109.702 179.624 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 11.4 m-80 -95.62 -1.53 50.06 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.421 -0.809 . . . . 65.21 110.813 176.299 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 61.24 29.59 18.78 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 115.95 -0.568 . . . . 73.12 111.422 174.362 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -118.65 166.21 13.02 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.574 -0.739 . . . . 74.24 110.397 179.62 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 15.4 p -126.83 125.82 42.31 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.053 -0.521 . . . . 74.12 111.176 -176.813 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 73' ' ' LEU . . . . . 0.448 ' CD2' ' HG3' ' B' ' 62' ' ' MET . 0.2 OUTLIER -109.82 140.92 22.71 Favored Pre-proline 0 C--N 1.326 -0.44 0 CA-C-N 115.985 -0.552 . . . . 75.15 111.27 179.457 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 74' ' ' PRO . . . . . 0.619 ' HD2' HD11 ' B' ' 103' ' ' LEU . 32.5 Cg_exo -60.73 120.74 8.64 Favored 'Trans proline' 0 C--N 1.349 0.584 0 C-N-CA 122.764 2.309 . . . . 62.01 111.399 172.387 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -77.01 -4.4 43.93 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.016 0.376 . . . . 71.53 112.016 -176.237 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -80.99 1.96 28.97 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-O 121.351 0.596 . . . . 60.22 110.932 -179.515 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 77' ' ' THR . . . . . 0.512 ' HB ' HD22 ' B' ' 103' ' ' LEU . 3.2 t -69.61 167.63 16.49 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.597 -0.729 . . . . 73.25 112.439 -176.148 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 78' ' ' THR . . . . . 0.597 HG22 ' HA ' ' A' ' 12' ' ' THR . 1.2 p -138.34 149.51 45.68 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.133 -0.94 . . . . 71.23 110.064 176.22 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 91.5 t -129.27 120.13 50.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 N-CA-C 109.409 -0.589 . . . . 54.24 109.409 175.129 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 80' ' ' THR . . . . . 0.548 ' HA ' ' HA ' ' A' ' 10' ' ' THR . 8.0 m -111.11 110.79 21.47 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 116.288 -0.414 . . . . 72.42 110.756 -177.443 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -92.92 106.81 18.72 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.093 -0.503 . . . . 73.43 109.679 177.775 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 82' ' ' GLU . . . . . 0.41 ' HA ' ' HA ' ' A' ' 8' ' ' ALA . 31.8 tt0 -98.59 107.72 20.24 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 108.817 -0.808 . . . . 71.23 108.817 178.381 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 7.4 p -103.86 134.61 44.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.044 -0.526 . . . . 71.44 111.196 -173.043 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 84' ' ' GLY . . . . . . . . . . . . . . . -127.28 167.2 19.76 Favored Glycine 0 N--CA 1.443 -0.881 0 CA-C-N 115.724 -0.671 . . . . 52.45 111.661 175.608 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -146.7 135.4 16.0 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.816 0 N-CA-C 109.272 -0.64 . . . . 73.1 109.272 178.394 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -155.25 169.65 33.25 Favored Glycine 0 N--CA 1.452 -0.26 0 N-CA-C 111.081 -0.808 . . . . 52.3 111.081 -178.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 87' ' ' PRO . . . . . 0.656 ' HD3' ' HG ' ' A' ' 4' ' ' LEU . 94.3 Cg_endo -82.44 142.09 11.61 Favored 'Trans proline' 0 N--CA 1.455 -0.786 0 C-N-CA 122.326 2.017 . . . . 61.3 112.786 -176.513 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 88' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -84.67 155.33 22.0 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.686 -0.857 . . . . 72.3 108.686 173.056 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -63.96 -11.48 28.99 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 120.689 0.28 . . . . 65.22 111.724 -176.572 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -71.01 -27.34 63.61 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-O 121.178 0.513 . . . . 74.05 110.484 175.546 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.19 34.16 3.76 Favored Glycine 0 N--CA 1.455 -0.099 0 CA-C-N 115.587 -0.733 . . . . 72.2 111.79 -175.367 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 92' ' ' GLY . . . . . 0.46 ' O ' ' HA ' ' B' ' 87' ' ' PRO . . . -134.3 -169.52 12.03 Favored Glycine 0 C--O 1.229 -0.213 0 N-CA-C 110.694 -0.962 . . . . 70.13 110.694 177.512 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 93' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -98.48 153.16 18.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 117.576 0.688 . . . . 73.12 111.124 179.446 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -143.19 139.82 30.48 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.533 -0.758 . . . . 62.21 109.314 178.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -103.45 145.42 30.03 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-O 121.147 0.499 . . . . 74.21 111.429 -175.32 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 96' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -126.86 133.68 50.67 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 114.97 -1.014 . . . . 73.53 109.241 -179.49 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 97' ' ' VAL . . . . . 0.532 ' HB ' HG22 ' B' ' 134' ' ' VAL . 61.3 t -137.74 110.95 7.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.81 0.338 . . . . 65.34 110.277 178.901 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 98' ' ' GLU . . . . . 0.456 ' HG2' ' HB2' ' B' ' 135' ' ' ARG . 40.6 mt-10 -98.62 111.75 24.02 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.709 -0.478 . . . . 74.42 109.709 176.559 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 88.3 mt -93.67 106.99 18.92 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 116.353 -0.385 . . . . 61.12 109.974 -178.174 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 100' ' ' ARG . . . . . 0.611 ' HA ' ' O ' ' B' ' 137' ' ' VAL . 77.8 ttt180 -99.53 106.89 18.94 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.537 -0.756 . . . . 64.11 110.475 -174.417 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 101' ' ' VAL . . . . . . . . . . . . . 84.9 t -97.49 99.44 8.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 116.434 -0.348 . . . . 60.12 110.54 -175.177 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 102' ' ' ALA . . . . . 0.513 ' HA ' ' HB3' ' B' ' 139' ' ' ALA . . . -91.95 101.21 13.77 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.357 -0.609 . . . . 53.32 109.357 178.442 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 103' ' ' LEU . . . . . 0.619 HD11 ' HD2' ' B' ' 74' ' ' PRO . 0.3 OUTLIER -112.68 118.59 44.79 Favored Pre-proline 0 C--N 1.326 -0.428 0 CA-C-N 115.521 -0.763 . . . . 72.24 109.423 -174.745 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 104' ' ' PRO . . . . . 0.474 ' HD2' HD13 ' B' ' 103' ' ' LEU . 65.2 Cg_endo -72.7 150.06 49.76 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.456 2.104 . . . . 74.24 112.524 179.183 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 105' ' ' GLY . . . . . . . . . . . . . . . 64.72 15.21 59.51 Favored Glycine 0 CA--C 1.521 0.412 0 CA-C-N 115.548 -0.751 . . . . 72.34 113.224 179.432 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 106' ' ' LEU . . . . . 0.444 HD23 ' HB3' ' B' ' 103' ' ' LEU . 31.9 tp -124.77 137.0 54.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.112 0.482 . . . . 60.53 110.952 -178.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -80.58 145.9 31.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.303 -0.862 . . . . 63.12 110.454 176.718 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 108' ' ' ALA . . . . . 0.467 ' O ' ' HG3' ' B' ' 112' ' ' LYS . . . -61.71 -37.4 84.02 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.515 -0.311 . . . . 34.32 111.058 -179.552 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -56.28 -46.21 79.82 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-N 116.14 -0.482 . . . . 64.51 110.937 -179.408 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 110' ' ' ALA . . . . . 0.57 ' O ' HG22 ' B' ' 113' ' ' THR . . . -77.75 -38.67 46.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.801 -0.636 . . . . 72.03 110.32 178.66 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 111' ' ' ALA . . . . . 0.421 ' HA ' HD21 ' B' ' 106' ' ' LEU . . . -54.76 -39.03 67.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.815 -0.63 . . . . 64.14 111.1 -178.64 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 112' ' ' LYS . . . . . 0.467 ' HG3' ' O ' ' B' ' 108' ' ' ALA . 98.6 mttt -58.08 -44.3 87.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.107 -0.497 . . . . 74.45 110.978 178.66 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 113' ' ' THR . . . . . 0.57 HG22 ' O ' ' B' ' 110' ' ' ALA . 1.1 t -73.03 -34.62 66.45 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 121.018 -0.273 . . . . 72.03 110.308 -177.846 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 114' ' ' LEU . . . . . 0.441 ' HG ' ' O ' ' B' ' 110' ' ' ALA . 52.9 mt -65.27 -49.9 67.79 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 116.388 -0.369 . . . . 70.23 110.419 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 115' ' ' VAL . . . . . . . . . . . . . 90.8 t -64.33 -37.39 79.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.043 -0.526 . . . . 63.55 110.327 178.437 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -58.77 -56.38 23.01 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 116.153 -0.476 . . . . 75.43 110.658 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 117' ' ' ARG . . . . . 0.42 HH11 ' HD3' ' B' ' 117' ' ' ARG . 1.9 ptm180 -65.71 -42.57 90.98 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-N 116.189 -0.459 . . . . 70.2 110.935 -177.184 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -59.99 -47.59 85.21 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 121.243 0.544 . . . . 61.11 110.854 -179.591 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 19.9 t60 -73.1 -10.91 60.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.514 -0.766 . . . . 74.31 110.784 -178.084 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 58.1 t-80 -96.71 -45.86 6.51 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.351 -0.386 . . . . 61.52 111.198 -178.389 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 35.4 m -69.79 -35.49 65.46 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.24 0 CA-C-N 116.085 -0.507 . . . . 63.42 111.603 -174.783 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 122' ' ' CYS . . . . . . . . . . . . . 52.9 t -153.8 79.62 5.22 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 120.879 0.371 . . . . 74.53 111.522 -179.155 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 123' ' ' PRO . . . . . . . . . . . . . 96.5 Cg_endo -88.33 163.36 6.87 Favored 'Trans proline' 0 N--CA 1.456 -0.695 0 C-N-CA 122.703 2.269 . . . . 65.25 110.908 171.15 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 124' ' ' TYR . . . . . 0.452 ' O ' ' HB3' ' B' ' 125' ' ' SER . 2.1 t80 -74.22 79.57 1.8 Allowed 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 108.313 -0.995 . . . . 65.35 108.313 174.636 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 125' ' ' SER . . . . . 0.452 ' HB3' ' O ' ' B' ' 124' ' ' TYR . 47.7 t 75.87 144.11 0.08 Allowed 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 115.2 -0.909 . . . . 64.23 110.223 -171.706 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 126' ' ' ASN . . . . . . . . . . . . . 53.1 t30 -66.63 -31.53 72.28 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-O 121.894 0.854 . . . . 74.24 109.635 178.071 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 127' ' ' ALA . . . . . 0.835 ' HB3' ' HB2' ' A' ' 127' ' ' ALA . . . -70.59 6.65 1.34 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 114.865 -1.061 . . . . 65.3 112.134 -177.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 128' ' ' THR . . . . . 0.419 HG22 ' O ' ' B' ' 125' ' ' SER . 5.9 t -89.8 -14.53 34.28 Favored 'General case' 0 CA--C 1.516 -0.362 0 N-CA-C 108.497 -0.927 . . . . 55.14 108.497 -175.703 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 129' ' ' ARG . . . . . . . . . . . . . 17.0 ptt180 -122.3 -41.83 2.39 Favored 'General case' 0 N--CA 1.445 -0.704 0 CA-C-N 114.893 -1.049 . . . . 75.21 111.117 -176.471 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 130' ' ' ASN . . . . . . . . . . . . . 13.6 m120 -73.45 -47.13 44.04 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 116.402 -0.363 . . . . 74.14 111.339 176.877 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 131' ' ' ASN . . . . . 0.589 ' HB3' ' O ' ' B' ' 127' ' ' ALA . 64.3 t30 -78.15 -43.93 27.4 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 121.085 0.469 . . . . 75.43 110.531 -177.236 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 132' ' ' VAL . . . . . . . . . . . . . 24.7 t -95.09 136.33 26.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.563 -0.744 . . . . 52.13 110.331 -178.88 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 133' ' ' ALA . . . . . . . . . . . . . . . -77.53 90.07 3.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.358 0.599 . . . . 72.23 110.792 -179.2 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 134' ' ' VAL . . . . . 0.532 HG22 ' HB ' ' B' ' 97' ' ' VAL . 87.7 t -105.16 129.7 57.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.284 -0.871 . . . . 61.1 110.788 -178.248 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 135' ' ' ARG . . . . . 0.456 ' HB2' ' HG2' ' B' ' 98' ' ' GLU . 19.4 mmt-85 -102.98 121.3 42.25 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 108.863 -0.791 . . . . 74.32 108.863 174.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 71.4 mt -88.87 109.34 20.12 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.196 0.522 . . . . 72.41 109.915 177.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 137' ' ' VAL . . . . . 0.611 ' O ' ' HA ' ' B' ' 100' ' ' ARG . 0.2 OUTLIER -117.08 115.99 50.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.332 -0.849 . . . . 72.22 110.07 -178.058 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 138' ' ' VAL . . . . . 0.427 HG11 ' HA ' ' B' ' 112' ' ' LYS . 4.6 m -94.94 138.35 21.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 116.027 -0.533 . . . . 70.52 109.995 179.501 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 139' ' ' ALA . . . . . 0.513 ' HB3' ' HA ' ' B' ' 102' ' ' ALA . . . . . . . . 0 C--N 1.313 -0.992 0 CA-C-N 115.288 -0.869 . . . . 71.35 110.28 -174.032 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.466 ' HE3' HD13 ' A' ' 3' ' ' ILE . 15.7 ptt? . . . . . 0 N--CA 1.486 1.36 0 CA-C-O 120.593 0.235 . . . . 71.43 110.841 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 48.9 t30 -72.21 78.63 0.97 Allowed 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 121.287 0.565 . . . . 75.52 110.813 176.33 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.644 HD11 ' HB3' ' B' ' 96' ' ' ASP . 34.7 mm -72.92 135.1 28.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.769 -0.65 . . . . 51.02 112.078 176.138 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.662 ' HG ' ' HD3' ' B' ' 87' ' ' PRO . 86.5 mt -88.6 -42.93 11.73 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.497 -0.774 . . . . 74.21 110.022 173.162 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' TYR . . . . . 0.508 ' CD2' ' HB3' ' B' ' 35' ' ' GLU . 61.4 t80 -143.4 136.54 27.91 Favored 'General case' 0 C--O 1.222 -0.383 0 CA-C-N 116.443 -0.344 . . . . 54.43 110.486 178.721 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.559 ' HD3' ' HG2' ' B' ' 82' ' ' GLU . 29.7 ttmt -141.43 137.98 32.6 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.322 -0.399 . . . . 62.42 110.353 178.393 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 9.6 t -135.46 147.44 48.91 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.465 -0.789 . . . . 73.02 109.147 -178.32 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.425 ' HA ' ' HA ' ' B' ' 82' ' ' GLU . . . -111.74 156.4 21.97 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 121.616 0.722 . . . . 64.34 112.466 -171.208 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.471 ' HB2' ' OE1' ' B' ' 48' ' ' GLN . . . -146.34 125.26 12.74 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.163 -0.926 . . . . 65.14 109.763 174.872 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.404 ' HA ' ' HA ' ' B' ' 80' ' ' THR . 10.7 t -106.28 129.36 54.32 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.733 -0.469 . . . . 73.43 109.733 178.381 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 22.4 t -113.21 119.3 37.27 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.25 -0.432 . . . . 71.32 110.11 179.199 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.58 ' HA ' HG22 ' B' ' 78' ' ' THR . 4.4 m -98.13 156.37 16.7 Favored 'General case' 0 C--O 1.238 0.477 0 CA-C-N 116.248 -0.433 . . . . 72.12 110.545 179.636 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -90.37 77.28 1.56 Allowed Glycine 0 N--CA 1.448 -0.552 0 N-CA-C 111.493 -0.643 . . . . 62.44 111.493 175.659 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -62.72 -109.2 0.01 OUTLIER Glycine 0 C--N 1.333 0.391 0 C-N-CA 121.039 -0.6 . . . . 62.02 112.015 176.272 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 33.1 ttm180 -88.74 -49.53 6.79 Favored 'General case' 0 C--N 1.332 -0.154 0 O-C-N 122.383 -0.481 . . . . 73.04 109.933 173.261 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -125.67 -43.5 1.87 Allowed 'General case' 0 N--CA 1.467 0.379 0 N-CA-C 109.927 -0.397 . . . . 74.22 109.927 178.105 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.518 ' O ' ' HG3' ' A' ' 29' ' ' LYS . . . -169.84 157.88 29.7 Favored Glycine 0 C--N 1.341 0.842 0 C-N-CA 120.295 -0.955 . . . . 73.12 111.447 161.923 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.659 ' HA ' ' HA ' ' A' ' 29' ' ' LYS . 7.0 tmm_? -143.57 120.67 11.44 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 117.316 0.558 . . . . 73.24 109.981 177.72 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.509 ' HB2' ' HB2' ' B' ' 56' ' ' ALA . . . -107.94 136.02 48.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.356 -0.384 . . . . 71.12 110.616 -177.179 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 30.0 m -140.66 113.68 8.39 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.318 -0.401 . . . . 63.53 110.708 -179.679 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.528 ' HB3' ' N ' ' A' ' 26' ' ' LEU . 44.2 t -70.2 109.9 4.9 Favored 'General case' 0 C--O 1.246 0.904 0 N-CA-C 107.965 -1.124 . . . . 62.3 107.965 175.153 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.445 ' C ' ' H ' ' A' ' 24' ' ' GLN . 40.9 t-80 -57.01 -23.76 48.6 Favored 'General case' 0 N--CA 1.471 0.621 0 O-C-N 126.121 2.138 . . . . 71.44 112.679 -166.873 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.461 ' CB ' ' HE3' ' A' ' 25' ' ' LYS . 3.2 m-20 -80.0 16.49 1.19 Allowed 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.353 0.597 . . . . 73.43 109.698 178.789 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.445 ' H ' ' C ' ' A' ' 22' ' ' HIS . 27.1 mm-40 68.69 18.53 8.73 Favored 'General case' 0 CA--C 1.517 -0.295 0 CA-C-N 114.555 -1.202 . . . . 72.53 109.41 177.466 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.487 ' HB2' ' OG ' ' A' ' 21' ' ' SER . 97.6 mttt -76.47 -29.87 57.08 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-N 114.713 -1.131 . . . . 73.44 110.411 179.561 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.528 ' N ' ' HB3' ' A' ' 21' ' ' SER . 47.8 tp -153.43 148.89 27.18 Favored 'General case' 0 CA--C 1.51 -0.586 0 C-N-CA 119.699 -0.8 . . . . 74.42 112.151 -176.523 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -158.16 90.86 1.07 Allowed 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 114.94 -1.027 . . . . 74.13 110.29 -179.006 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.495 ' O ' ' HG2' ' A' ' 18' ' ' ARG . 6.6 m -145.21 176.92 1.85 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.569 0 CA-C-O 121.366 0.603 . . . . 62.12 111.692 179.687 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.659 ' HA ' ' HA ' ' A' ' 18' ' ' ARG . 30.6 tttm -124.89 143.87 50.62 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.218 -0.901 . . . . 62.42 110.381 -177.61 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.617 ' HA ' ' H ' ' A' ' 44' ' ' THR . 0.0 OUTLIER -125.37 167.08 15.44 Favored 'General case' 0 C--O 1.259 1.596 0 CA-C-O 121.178 0.513 . . . . 64.12 111.039 176.421 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.5 m -148.11 147.71 29.81 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 114.706 -1.133 . . . . 75.34 110.422 -173.605 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -78.08 137.02 61.25 Favored Pre-proline 0 C--O 1.241 0.644 0 CA-C-N 116.537 -0.302 . . . . 52.21 110.692 176.886 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 28.2 Cg_endo -61.97 115.66 2.97 Favored 'Trans proline' 0 C--N 1.35 0.637 0 C-N-CA 122.769 2.313 . . . . 73.33 112.021 -177.069 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.617 ' HB2' ' N ' ' A' ' 40' ' ' GLY . 68.5 ttt-85 -81.97 55.17 2.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.371 0.605 . . . . 50.12 111.089 -176.709 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 71.3 mm-40 -117.62 -22.03 8.27 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.617 -0.72 . . . . 75.14 109.573 173.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 52.6 mt -122.33 11.47 10.04 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 115.512 -0.767 . . . . 63.44 110.479 -175.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 106.67 65.74 0.63 Allowed Glycine 0 C--N 1.331 0.3 0 CA-C-N 116.0 -0.545 . . . . 72.22 112.217 -178.236 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -132.73 -137.94 4.01 Favored Glycine 0 C--N 1.335 0.511 0 N-CA-C 111.491 -0.643 . . . . 73.44 111.491 179.037 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -123.73 -27.22 4.01 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 111.514 0.191 . . . . 63.22 111.514 -177.169 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.617 ' N ' ' HB2' ' A' ' 34' ' ' ARG . . . 48.31 40.21 22.21 Favored Glycine 0 C--N 1.336 0.578 0 C-N-CA 121.519 -0.372 . . . . 45.53 112.85 -177.795 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -82.48 175.28 10.34 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.531 0.205 . . . . 44.21 110.958 -178.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -65.12 82.77 0.04 OUTLIER 'General case' 0 CA--C 1.533 0.322 0 CA-C-O 121.798 0.809 . . . . 71.23 110.007 175.164 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -164.64 -174.66 34.63 Favored Glycine 0 N--CA 1.449 -0.463 0 CA-C-N 115.327 -0.851 . . . . 55.55 111.754 174.274 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.617 ' H ' ' HA ' ' A' ' 30' ' ' LEU . 20.9 p -104.16 154.54 19.63 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 110.192 -0.299 . . . . 74.01 110.192 -178.235 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.611 ' HB2' ' HB3' ' A' ' 48' ' ' GLN . 85.6 m-20 -74.94 123.68 89.09 Favored Pre-proline 0 C--N 1.327 -0.37 0 N-CA-C 109.035 -0.728 . . . . 72.33 109.035 176.839 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_exo -50.07 -45.92 30.69 Favored 'Trans proline' 0 C--N 1.349 0.592 0 C-N-CA 122.711 2.274 . . . . 63.04 112.336 -178.162 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 8.7 mp0 -64.05 -37.3 86.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.557 -0.747 . . . . 62.13 110.069 -179.629 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.611 ' HB3' ' HB2' ' A' ' 45' ' ' ASN . 7.0 tm0? -68.53 -33.42 74.08 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 115.66 -0.7 . . . . 72.35 110.305 176.922 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.498 HD12 ' HA3' ' B' ' 53' ' ' GLY . 1.7 tm? -66.28 -47.5 73.45 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.423 -0.584 . . . . 71.11 109.423 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 36.7 t80 -62.88 -46.63 86.93 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.334 -0.394 . . . . 64.45 110.673 176.699 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.6 -52.09 66.17 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 116.593 -0.276 . . . . 52.03 111.133 178.02 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.1 -46.17 90.23 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-O 120.952 0.406 . . . . 51.43 110.858 -179.062 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.55 ' HA3' HD12 ' B' ' 49' ' ' LEU . . . -62.41 -44.97 96.87 Favored Glycine 0 N--CA 1.449 -0.438 0 CA-C-N 115.698 -0.683 . . . . 45.35 112.202 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.891 ' HA ' ' SG ' ' A' ' 57' ' ' CYS . 5.9 t80 -69.82 -34.5 73.75 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.852 0.358 . . . . 71.4 110.351 -179.529 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.508 ' HB2' ' HB2' ' A' ' 81' ' ' ALA . 8.6 t -62.32 -50.57 71.11 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.507 -0.553 . . . . 50.31 109.507 178.176 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.568 ' HB2' ' HB2' ' B' ' 19' ' ' ALA . . . -70.38 -40.33 74.04 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.879 -0.601 . . . . 72.41 111.297 -178.462 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.891 ' SG ' ' HA ' ' A' ' 54' ' ' TYR . 15.7 p -64.03 -35.94 82.36 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.688 -0.486 . . . . 74.4 109.688 179.226 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 23.0 t80 -52.58 -34.88 52.64 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 116.223 -0.444 . . . . 64.12 110.413 178.37 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -64.63 -42.37 95.52 Favored 'General case' 0 N--CA 1.465 0.29 0 N-CA-C 109.82 -0.437 . . . . 74.12 109.82 174.745 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.448 ' O ' ' HB3' ' A' ' 63' ' ' LYS . 27.4 t -66.45 -35.43 80.27 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-O 121.223 0.535 . . . . 74.4 110.154 178.688 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.408 ' O ' HG23 ' A' ' 65' ' ' VAL . . . -67.5 -43.25 81.36 Favored 'General case' 0 C--O 1.221 -0.429 0 CA-C-N 115.953 -0.567 . . . . 64.15 109.941 177.748 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -65.22 -36.28 83.66 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.187 0.518 . . . . 61.32 109.993 175.133 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.448 ' HB3' ' O ' ' A' ' 60' ' ' SER . 11.8 tptm -56.22 -49.99 72.56 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.057 -0.974 . . . . 62.32 109.959 177.63 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.422 ' CZ ' ' HE1' ' B' ' 93' ' ' PHE . 63.4 t80 -75.81 -48.45 21.59 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 115.465 -0.789 . . . . 70.35 111.705 -178.542 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.436 ' HA ' ' HG2' ' A' ' 68' ' ' GLN . 42.9 t -55.32 -40.45 56.94 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.31 0 CA-C-N 116.429 -0.35 . . . . 51.41 110.89 -178.031 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.515 ' HB1' ' O ' ' A' ' 71' ' ' GLN . . . -54.45 -33.71 60.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.171 0.51 . . . . 55.45 110.333 176.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -71.95 -31.97 63.97 Favored Glycine 0 C--N 1.33 0.202 0 CA-C-N 115.552 -0.749 . . . . 65.01 112.528 -177.806 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.436 ' HG2' ' HA ' ' A' ' 65' ' ' VAL . 14.1 pt20 -92.81 -11.88 32.58 Favored 'General case' 0 CA--C 1.52 -0.187 0 N-CA-C 108.949 -0.76 . . . . 73.33 108.949 179.088 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.45 ' HB3' ' HG2' ' A' ' 71' ' ' GLN . 0.9 OUTLIER -94.67 -5.17 46.19 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 114.857 -1.065 . . . . 73.35 110.544 175.402 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 11.0 mptt 58.73 29.48 18.71 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-O 121.61 0.719 . . . . 70.5 111.189 178.042 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.515 ' O ' ' HB1' ' A' ' 66' ' ' ALA . 2.8 pt20 -124.37 159.08 31.15 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 114.76 -1.109 . . . . 65.11 109.501 175.857 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 4.5 p -125.35 128.14 47.71 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.935 0.398 . . . . 71.13 110.476 177.79 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -109.23 145.54 32.01 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 115.938 -0.574 . . . . 63.13 110.51 179.851 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.413 ' HB2' ' HG2' ' A' ' 104' ' ' PRO . 48.8 Cg_exo -57.28 130.49 39.63 Favored 'Trans proline' 0 C--N 1.35 0.607 0 C-N-CA 122.73 2.287 . . . . 75.32 112.487 -179.441 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -77.02 -1.29 28.08 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 121.368 0.604 . . . . 74.43 110.901 178.084 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -85.55 17.95 3.01 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.284 -0.871 . . . . 72.44 110.393 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.53 ' HB ' HD12 ' A' ' 103' ' ' LEU . 5.8 t -91.7 159.26 15.94 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.559 -0.746 . . . . 73.42 112.11 -174.41 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 56.4 m -143.1 149.39 38.07 Favored 'General case' 0 CA--C 1.529 0.164 0 CA-C-N 115.62 -0.718 . . . . 65.01 110.355 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 92.6 t -134.15 132.91 55.92 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 115.512 -0.767 . . . . 73.54 109.006 177.341 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 87.8 m -114.13 115.95 28.34 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.677 0.275 . . . . 61.0 110.491 178.8 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.508 ' HB2' ' HB2' ' A' ' 55' ' ' SER . . . -93.25 105.18 17.29 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.299 -0.63 . . . . 75.0 109.299 175.036 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.54 ' HA ' ' HA ' ' B' ' 8' ' ' ALA . 24.6 tt0 -101.83 107.44 18.62 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.521 -0.918 . . . . 74.0 108.521 176.731 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.558 HG23 HG22 ' A' ' 97' ' ' VAL . 7.5 p -103.6 131.25 52.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.873 -0.603 . . . . 74.25 111.048 -172.649 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -122.48 160.86 16.86 Favored Glycine 0 N--CA 1.446 -0.696 0 CA-C-N 115.78 -0.645 . . . . 64.22 111.813 178.466 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -137.88 130.2 40.49 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 N-CA-C 108.785 -0.82 . . . . 71.32 108.785 178.67 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' GLY . . . . . 0.442 ' HA2' ' HG ' ' B' ' 4' ' ' LEU . . . -146.49 169.93 27.63 Favored Glycine 0 CA--C 1.517 0.186 0 O-C-N 123.985 0.803 . . . . 64.2 111.496 -176.329 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.676 ' HD3' ' HG ' ' B' ' 4' ' ' LEU . 7.2 Cg_exo -70.95 119.9 6.65 Favored 'Trans proline' 0 N--CA 1.462 -0.338 0 C-N-CA 122.665 2.244 . . . . 75.13 111.659 -176.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 52.8 t-20 -72.98 142.67 47.76 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.235 -0.654 . . . . 63.43 109.235 177.519 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -66.02 -13.34 59.74 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-O 121.173 0.511 . . . . 74.31 110.837 -179.763 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -71.74 -20.1 61.94 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 115.504 -0.771 . . . . 62.35 110.451 173.484 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.47 23.51 7.93 Favored Glycine 0 CA--C 1.518 0.233 0 CA-C-N 115.757 -0.656 . . . . 52.42 112.65 179.697 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -131.92 -140.78 4.59 Favored Glycine 0 N--CA 1.453 -0.21 0 N-CA-C 111.611 -0.596 . . . . 74.12 111.611 177.448 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -116.55 146.96 42.26 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.797 0.332 . . . . 72.25 110.15 178.283 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -132.15 133.02 43.77 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.934 -0.576 . . . . 73.43 110.188 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -96.06 124.32 40.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.941 -0.572 . . . . 75.45 110.08 178.576 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.474 ' HB3' HD11 ' B' ' 3' ' ' ILE . 10.2 t70 -117.78 110.33 17.67 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 108.745 -0.835 . . . . 62.1 108.745 -179.509 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.558 HG22 HG23 ' A' ' 83' ' ' VAL . 46.6 t -108.39 110.92 33.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.695 0.283 . . . . 41.42 111.192 -172.482 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.45 ' HA ' ' HB2' ' A' ' 135' ' ' ARG . 42.3 mt-10 -88.07 104.33 16.57 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.753 -0.462 . . . . 51.52 109.753 175.562 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 11.6 tp -94.28 107.09 19.06 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.168 -0.678 . . . . 73.33 109.168 -178.791 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.527 ' HA ' ' O ' ' A' ' 137' ' ' VAL . 59.2 ttt180 -99.43 111.43 23.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.539 -0.755 . . . . 73.43 110.076 -172.236 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 46.7 t -106.13 115.46 47.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.423 0.154 . . . . 72.23 111.192 -171.325 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -112.08 101.46 9.73 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-O 120.823 0.344 . . . . 73.1 110.163 176.839 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.877 HD23 HD22 ' A' ' 106' ' ' LEU . 38.9 tp -111.09 115.01 53.27 Favored Pre-proline 0 CA--C 1.53 0.205 0 N-CA-C 108.688 -0.856 . . . . 73.31 108.688 178.515 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' PRO . . . . . 0.556 ' HD2' HD12 ' A' ' 103' ' ' LEU . 56.6 Cg_endo -70.41 148.63 61.27 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.598 2.199 . . . . 73.52 112.35 -174.63 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 73.08 15.21 78.62 Favored Glycine 0 N--CA 1.451 -0.307 0 CA-C-N 115.629 -0.714 . . . . 54.45 112.273 -178.301 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.877 HD22 HD23 ' A' ' 103' ' ' LEU . 24.7 tp -125.52 141.16 52.19 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-O 120.947 0.403 . . . . 65.03 111.156 -177.219 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -82.19 141.99 32.57 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.681 -0.69 . . . . 72.42 110.318 174.39 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.505 ' O ' ' HG2' ' A' ' 112' ' ' LYS . . . -59.29 -34.91 72.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.852 0.358 . . . . 74.35 110.785 177.837 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -58.01 -46.64 84.94 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 115.823 -0.626 . . . . 64.13 110.813 179.593 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.473 ' O ' HG22 ' A' ' 113' ' ' THR . . . -75.96 -35.86 59.51 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-O 121.25 0.548 . . . . 73.25 109.922 177.695 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -56.27 -32.81 64.88 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.518 -0.765 . . . . 54.13 110.679 178.762 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.505 ' HG2' ' O ' ' A' ' 108' ' ' ALA . 32.0 mmtp -51.13 -48.96 61.65 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 115.803 -0.635 . . . . 74.23 110.796 176.624 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 113' ' ' THR . . . . . 0.473 HG22 ' O ' ' A' ' 110' ' ' ALA . 1.9 t -81.99 -36.1 28.22 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.051 -0.522 . . . . 74.22 110.899 -175.273 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.415 ' HG ' ' O ' ' A' ' 110' ' ' ALA . 40.5 mt -61.53 -48.73 79.68 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 116.364 -0.38 . . . . 61.01 110.793 -179.454 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 67.6 t -67.16 -33.4 62.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.314 -0.403 . . . . 72.22 110.133 177.855 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -61.05 -58.03 10.1 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-N 115.873 -0.603 . . . . 63.5 110.901 178.174 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' ARG . . . . . 0.459 ' HG2' ' O ' ' A' ' 113' ' ' THR . 15.0 ptm180 -64.36 -39.09 93.18 Favored 'General case' 0 C--O 1.227 -0.1 0 CA-C-N 115.659 -0.701 . . . . 65.24 110.545 -177.45 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -58.34 -50.93 71.87 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.17 0.51 . . . . 63.41 110.315 176.776 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' HIS . . . . . 0.442 ' CD2' ' HB3' ' A' ' 129' ' ' ARG . 64.5 t60 -79.42 8.65 5.85 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 115.639 -0.71 . . . . 74.13 110.239 179.713 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 3.9 t-160 -108.71 -43.57 4.23 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 116.195 -0.457 . . . . 75.14 110.734 177.289 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 28.6 m -89.31 -21.03 6.94 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.391 0 CA-C-N 116.378 -0.374 . . . . 74.54 111.824 -173.62 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 122' ' ' CYS . . . . . 0.467 ' N ' ' HD3' ' A' ' 123' ' ' PRO . 52.6 t -138.45 60.45 20.92 Favored Pre-proline 0 C--O 1.236 0.353 0 CA-C-O 120.841 0.353 . . . . 72.12 110.636 178.873 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 123' ' ' PRO . . . . . 0.467 ' HD3' ' N ' ' A' ' 122' ' ' CYS . 50.5 Cg_endo -98.12 153.96 0.83 Allowed 'Trans proline' 0 N--CA 1.453 -0.871 0 C-N-CA 123.109 2.539 . . . . 74.45 112.553 178.603 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 124' ' ' TYR . . . . . 0.542 ' O ' ' HB ' ' A' ' 128' ' ' THR . 2.5 m-85 -73.8 73.09 1.57 Allowed 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 108.768 -0.826 . . . . 65.44 108.768 171.826 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 125' ' ' SER . . . . . 0.478 ' HB3' ' O ' ' A' ' 124' ' ' TYR . 48.4 t 77.42 149.16 0.1 Allowed 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 115.074 -0.966 . . . . 62.44 110.127 -171.02 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 126' ' ' ASN . . . . . 0.403 ' O ' ' HG2' ' A' ' 129' ' ' ARG . 52.6 t-20 -61.94 -31.46 71.79 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 122.019 0.914 . . . . 73.42 108.675 176.248 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 127' ' ' ALA . . . . . 0.463 ' O ' HG23 ' A' ' 132' ' ' VAL . . . -66.24 3.26 0.93 Allowed 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 114.88 -1.054 . . . . 54.1 112.434 -179.196 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 128' ' ' THR . . . . . 0.542 ' HB ' ' O ' ' A' ' 124' ' ' TYR . 2.9 t -93.84 4.34 54.07 Favored 'General case' 0 CA--C 1.519 -0.217 0 CA-C-O 122.146 0.974 . . . . 73.21 108.743 -173.814 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 129' ' ' ARG . . . . . 0.442 ' HB3' ' CD2' ' A' ' 119' ' ' HIS . 13.6 ptm180 -136.73 -46.5 0.6 Allowed 'General case' 0 N--CA 1.444 -0.739 0 CA-C-N 114.594 -1.184 . . . . 72.04 110.45 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 53.3 m-80 -78.57 -42.53 28.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.497 -0.32 . . . . 71.52 111.766 178.802 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -91.46 -39.02 12.2 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-O 120.899 0.381 . . . . 72.12 110.297 -176.08 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 132' ' ' VAL . . . . . 0.463 HG23 ' O ' ' A' ' 127' ' ' ALA . 90.4 t -98.89 126.25 52.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 70.22 109.886 -178.69 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -74.95 96.43 3.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.342 0.591 . . . . 45.42 111.399 -176.356 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 57.6 t -115.95 109.29 27.65 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.535 0 CA-C-N 115.392 -0.822 . . . . 75.02 109.973 175.384 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 135' ' ' ARG . . . . . 0.45 ' HB2' ' HA ' ' A' ' 98' ' ' GLU . 20.4 mmt180 -72.77 98.59 2.44 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.899 -0.592 . . . . 72.41 109.621 178.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.416 ' HA ' HD23 ' A' ' 136' ' ' LEU . 49.0 mt -74.86 100.28 4.03 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.551 0.691 . . . . 50.04 109.919 175.717 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 137' ' ' VAL . . . . . 0.527 ' O ' ' HA ' ' A' ' 100' ' ' ARG . 0.2 OUTLIER -109.59 111.66 37.12 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 CA-C-N 114.729 -1.123 . . . . 74.42 109.621 -179.022 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 4.1 m -96.65 138.85 20.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 115.564 -0.744 . . . . 53.11 110.097 -176.543 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.312 -1.04 0 CA-C-N 115.217 -0.901 . . . . 73.13 110.56 -175.858 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 16.8 ptt? . . . . . 0 CA--C 1.532 0.281 0 CA-C-O 120.537 0.208 . . . . 72.42 110.504 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 50.0 t30 -72.08 74.98 0.94 Allowed 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 121.281 0.562 . . . . 61.35 110.739 176.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 3' ' ' ILE . . . . . 0.548 HG21 ' HB2' ' B' ' 6' ' ' LYS . 30.8 mm -74.03 135.23 27.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.657 -0.701 . . . . 72.42 111.651 175.702 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.676 ' HG ' ' HD3' ' A' ' 87' ' ' PRO . 84.4 mt -95.47 -46.1 6.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.76 -0.654 . . . . 75.25 110.11 174.419 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 5' ' ' TYR . . . . . . . . . . . . . 24.5 t80 -132.05 130.34 41.2 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.961 -0.563 . . . . 75.45 109.491 -178.377 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 6' ' ' LYS . . . . . 0.548 ' HB2' HG21 ' B' ' 3' ' ' ILE . 38.6 ttmt -137.37 135.51 37.06 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.035 0.445 . . . . 65.01 111.134 177.756 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 5.3 t -134.99 142.27 46.42 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.601 -0.727 . . . . 72.52 109.279 178.327 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 8' ' ' ALA . . . . . 0.54 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . . . -109.18 152.93 24.48 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.946 0.403 . . . . 64.22 111.259 -174.28 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 9' ' ' ALA . . . . . 0.499 ' HA ' ' H ' ' B' ' 22' ' ' HIS . . . -139.17 116.93 11.5 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.053 -0.521 . . . . 31.45 110.446 175.154 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 27.4 m -95.05 124.41 39.08 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.783 -0.644 . . . . 64.31 110.132 -179.323 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 11' ' ' SER . . . . . 0.541 ' HA ' ' O ' ' B' ' 18' ' ' ARG . 57.4 p -131.35 115.77 16.69 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.596 0.236 . . . . 74.14 111.563 -177.923 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 11.3 m -94.54 158.32 15.59 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.926 -0.398 . . . . 53.42 109.926 176.196 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -89.24 59.61 3.81 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.897 -0.668 . . . . 71.12 111.771 177.356 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -47.35 -88.38 0.01 OUTLIER Glycine 0 C--N 1.342 0.893 0 O-C-N 123.905 0.415 . . . . 73.4 112.918 -177.771 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 10.1 tpp180 -88.96 -56.27 3.35 Favored 'General case' 0 C--O 1.238 0.5 0 N-CA-C 109.0 -0.741 . . . . 65.14 109.0 171.617 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 16' ' ' ASP . . . . . 0.57 ' HB3' ' HA ' ' B' ' 31' ' ' SER . 27.1 t70 -127.08 -43.38 1.66 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.305 -0.407 . . . . 65.33 110.431 169.034 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -161.05 148.03 15.43 Favored Glycine 0 C--N 1.344 0.975 0 C-N-CA 120.383 -0.913 . . . . 74.22 111.78 169.501 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 18' ' ' ARG . . . . . 0.541 ' O ' ' HA ' ' B' ' 11' ' ' SER . 0.7 OUTLIER -138.32 106.65 5.8 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 108.634 -0.876 . . . . 74.4 108.634 179.027 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 19' ' ' ALA . . . . . 0.568 ' HB2' ' HB2' ' A' ' 56' ' ' ALA . . . -103.81 123.83 47.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.052 0.453 . . . . 64.21 111.117 -173.399 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 24.3 m -125.31 112.57 16.51 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.706 -0.679 . . . . 75.11 109.816 177.015 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 21' ' ' SER . . . . . 0.544 ' HB3' ' N ' ' B' ' 26' ' ' LEU . 48.0 t -64.67 108.61 1.76 Allowed 'General case' 0 C--O 1.246 0.915 0 N-CA-C 107.071 -1.455 . . . . 74.21 107.071 175.343 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 22' ' ' HIS . . . . . 0.499 ' H ' ' HA ' ' B' ' 9' ' ' ALA . 15.4 t60 -53.85 -22.82 10.61 Favored 'General case' 0 C--N 1.346 0.433 0 O-C-N 126.622 2.451 . . . . 73.12 112.57 -164.683 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 23' ' ' ASP . . . . . 0.551 ' HB2' ' HG2' ' B' ' 25' ' ' LYS . 3.8 m-20 -80.57 19.33 0.82 Allowed 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 110.096 -0.335 . . . . 63.54 110.096 176.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 24' ' ' GLN . . . . . 0.402 ' H ' ' C ' ' B' ' 22' ' ' HIS . 87.9 mm-40 55.96 28.29 12.46 Favored 'General case' 0 CA--C 1.516 -0.34 0 CA-C-O 121.825 0.821 . . . . 71.43 110.189 -176.264 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 25' ' ' LYS . . . . . 0.551 ' HG2' ' HB2' ' B' ' 23' ' ' ASP . 9.6 mmpt? -83.28 -27.47 29.82 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 114.573 -1.194 . . . . 41.25 109.497 175.817 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 26' ' ' LEU . . . . . 0.544 ' N ' ' HB3' ' B' ' 21' ' ' SER . 44.3 tp -150.69 147.01 26.83 Favored 'General case' 0 C--O 1.223 -0.306 0 C-N-CA 119.705 -0.798 . . . . 71.52 111.426 -178.358 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 65.8 t0 -152.04 99.64 2.56 Favored 'General case' 0 CA--C 1.532 0.253 0 O-C-N 123.471 0.482 . . . . 53.33 109.887 172.774 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 3.4 m -144.11 178.18 1.85 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.512 0 CA-C-N 115.533 -0.758 . . . . 74.12 111.657 179.016 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.54 ' HA ' ' HA ' ' B' ' 18' ' ' ARG . 0.0 OUTLIER -135.15 145.68 48.04 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.279 -0.873 . . . . 64.31 110.193 179.598 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 30' ' ' LEU . . . . . 0.742 ' HA ' ' H ' ' B' ' 44' ' ' THR . 0.0 OUTLIER -131.6 160.53 35.08 Favored 'General case' 0 C--O 1.252 1.233 0 CA-C-O 121.006 0.432 . . . . 72.32 110.437 175.788 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 31' ' ' SER . . . . . 0.57 ' HA ' ' HB3' ' B' ' 16' ' ' ASP . 39.6 m -162.4 137.92 7.23 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 115.423 -0.808 . . . . 62.35 110.901 -176.779 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -72.96 115.02 36.06 Favored Pre-proline 0 C--O 1.237 0.432 0 CA-C-N 115.942 -0.572 . . . . 75.13 109.629 171.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 33' ' ' PRO . . . . . 0.725 ' HG2' ' HG3' ' B' ' 35' ' ' GLU . 36.6 Cg_endo -65.81 -159.54 0.04 OUTLIER 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.394 2.063 . . . . 71.3 111.535 178.88 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -110.24 48.24 0.91 Allowed 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.734 0.778 . . . . 71.43 109.102 178.576 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 35' ' ' GLU . . . . . 0.725 ' HG3' ' HG2' ' B' ' 33' ' ' PRO . 0.1 OUTLIER -48.27 -68.57 0.17 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 114.167 -1.378 . . . . 72.42 110.07 178.345 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.622 HD22 ' HB2' ' B' ' 35' ' ' GLU . 2.4 mm? -114.39 -32.9 5.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.141 -0.936 . . . . 63.52 109.08 174.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 173.09 46.66 0.05 OUTLIER Glycine 0 N--CA 1.448 -0.526 0 CA-C-N 115.757 -0.656 . . . . 51.22 112.495 -179.442 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -79.65 -122.67 0.4 Allowed Glycine 0 C--N 1.334 0.435 0 C-N-CA 120.859 -0.686 . . . . 64.12 111.668 177.411 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -108.52 -37.82 5.84 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.178 0.513 . . . . 71.25 110.539 179.803 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 86.49 78.37 1.22 Allowed Glycine 0 N--CA 1.451 -0.334 0 CA-C-N 115.655 -0.702 . . . . 53.13 111.757 -179.168 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 41' ' ' ALA . . . . . 0.411 ' H ' ' HA ' ' B' ' 33' ' ' PRO . . . -146.46 168.95 19.92 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.658 0.266 . . . . 45.11 110.958 -174.578 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -88.05 10.12 20.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.907 -0.588 . . . . 74.14 111.358 -176.371 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -77.55 -172.96 39.11 Favored Glycine 0 C--O 1.236 0.249 0 C-N-CA 121.189 -0.529 . . . . 72.12 113.02 -176.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 44' ' ' THR . . . . . 0.742 ' H ' ' HA ' ' B' ' 30' ' ' LEU . 29.3 m -98.01 147.3 24.65 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 110.158 -0.312 . . . . 35.03 110.158 -179.629 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 45' ' ' ASN . . . . . 0.413 ' HB3' ' OE1' ' B' ' 47' ' ' GLU . 10.6 m120 -65.7 125.38 89.66 Favored Pre-proline 0 CA--C 1.533 0.302 0 CA-C-N 116.404 -0.362 . . . . 71.14 110.716 179.177 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 46' ' ' PRO . . . . . 0.406 ' HB3' ' HB2' ' A' ' 57' ' ' CYS . 50.0 Cg_exo -55.19 -54.52 4.23 Favored 'Trans proline' 0 C--N 1.352 0.761 0 C-N-CA 122.999 2.466 . . . . 54.41 112.749 178.137 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 47' ' ' GLU . . . . . 0.413 ' OE1' ' HB3' ' B' ' 45' ' ' ASN . 0.0 OUTLIER -62.64 -38.85 91.89 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 116.265 -0.425 . . . . 73.03 110.399 -179.528 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 48' ' ' GLN . . . . . 0.471 ' OE1' ' HB2' ' A' ' 9' ' ' ALA . 1.2 tm0? -61.1 -43.2 99.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.101 -0.5 . . . . 65.22 110.074 176.318 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 49' ' ' LEU . . . . . 0.55 HD12 ' HA3' ' A' ' 53' ' ' GLY . 2.1 tm? -59.38 -48.38 81.85 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.457 -0.571 . . . . 73.15 109.457 -178.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 16.5 t80 -57.57 -46.54 83.84 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 115.926 -0.579 . . . . 74.53 110.748 176.184 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.97 -50.19 75.03 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.263 -0.426 . . . . 63.22 111.104 -179.524 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.85 -44.53 96.87 Favored 'General case' 0 C--O 1.237 0.423 0 CA-C-N 116.099 -0.5 . . . . 74.31 111.076 -179.216 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 53' ' ' GLY . . . . . 0.498 ' HA3' HD12 ' A' ' 49' ' ' LEU . . . -65.73 -33.94 87.42 Favored Glycine 0 C--N 1.33 0.247 0 CA-C-N 115.93 -0.577 . . . . 73.22 111.947 177.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -68.64 -47.56 66.27 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 110.073 -0.343 . . . . 73.14 110.073 179.188 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 55' ' ' SER . . . . . 0.544 ' HB3' ' HB2' ' B' ' 81' ' ' ALA . 19.0 p -62.71 -43.68 98.18 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.355 -0.384 . . . . 71.55 110.269 178.638 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 56' ' ' ALA . . . . . 0.509 ' HB2' ' HB2' ' A' ' 19' ' ' ALA . . . -65.41 -39.83 92.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 72.32 110.512 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 57' ' ' CYS . . . . . . . . . . . . . 43.9 t -62.32 -36.71 83.0 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.915 -0.584 . . . . 72.4 109.756 176.562 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -59.54 -40.76 88.29 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-N 115.683 -0.689 . . . . 52.32 110.385 179.545 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 59' ' ' LEU . . . . . 0.476 ' O ' ' HG2' ' B' ' 63' ' ' LYS . 4.4 mm? -61.35 -63.43 1.29 Allowed 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 116.304 -0.407 . . . . 64.41 110.598 177.274 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 23.3 m -54.18 -41.14 68.21 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-N 116.226 -0.443 . . . . 73.23 110.95 -178.434 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -59.04 -48.4 81.72 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.956 -0.565 . . . . 44.1 110.45 178.063 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 62' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -62.76 -35.47 79.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.339 -0.391 . . . . 71.0 111.184 179.846 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 63' ' ' LYS . . . . . 0.476 ' HG2' ' O ' ' B' ' 59' ' ' LEU . 10.2 mmpt? -62.75 -50.34 71.45 Favored 'General case' 0 N--CA 1.464 0.249 0 N-CA-C 109.809 -0.441 . . . . 72.03 109.809 178.548 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 84.3 t80 -64.19 -52.82 57.06 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 115.689 -0.687 . . . . 73.11 111.051 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 54.8 t -55.4 -47.61 77.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.933 -0.576 . . . . 75.05 111.138 -178.017 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -55.21 -35.07 64.49 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.315 0.578 . . . . 74.13 110.272 178.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -68.89 -29.72 72.5 Favored Glycine 0 N--CA 1.452 -0.235 0 CA-C-N 115.124 -0.944 . . . . 75.04 112.503 -175.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -99.09 -13.38 19.85 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.94 0.4 . . . . 64.5 109.999 179.304 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -88.81 -1.82 58.28 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 115.589 -0.732 . . . . 65.21 110.857 179.275 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 2.2 mptp? 64.97 34.62 8.81 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-O 121.251 0.548 . . . . 73.12 110.761 179.426 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -135.25 162.55 32.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.634 -0.712 . . . . 74.24 110.001 178.707 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 2.6 p -125.0 128.18 48.17 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.017 0.437 . . . . 74.12 110.923 178.834 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 72.0 mt -109.41 137.9 20.4 Favored Pre-proline 0 C--N 1.327 -0.402 0 CA-C-N 115.712 -0.677 . . . . 75.15 109.598 177.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 74' ' ' PRO . . . . . 0.406 ' O ' HG22 ' B' ' 77' ' ' THR . 52.4 Cg_exo -55.82 151.53 39.99 Favored 'Trans proline' 0 C--N 1.349 0.556 0 C-N-CA 123.298 2.665 . . . . 62.01 113.761 -172.832 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -77.7 -31.15 52.21 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.468 0.651 . . . . 71.53 110.991 173.079 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -80.95 21.96 0.65 Allowed 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 115.326 -0.852 . . . . 60.22 111.644 -172.55 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 77' ' ' THR . . . . . 0.406 HG22 ' O ' ' B' ' 74' ' ' PRO . 6.2 t -93.3 156.94 16.5 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.303 -0.408 . . . . 73.25 110.997 -178.649 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 78' ' ' THR . . . . . 0.58 HG22 ' HA ' ' A' ' 12' ' ' THR . 2.2 p -139.07 150.79 46.14 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.886 -0.597 . . . . 71.23 111.112 -179.494 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 79' ' ' VAL . . . . . 0.443 ' HA ' ' O ' ' B' ' 100' ' ' ARG . 62.5 t -133.2 115.59 23.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 115.613 -0.721 . . . . 54.24 109.426 174.843 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 80' ' ' THR . . . . . 0.404 ' HA ' ' HA ' ' A' ' 10' ' ' THR . 25.4 m -102.6 110.67 22.68 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.041 -0.527 . . . . 72.42 110.894 -177.296 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 81' ' ' ALA . . . . . 0.544 ' HB2' ' HB3' ' B' ' 55' ' ' SER . . . -93.38 111.57 23.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.994 -0.548 . . . . 73.43 109.664 176.438 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 82' ' ' GLU . . . . . 0.559 ' HG2' ' HD3' ' A' ' 6' ' ' LYS . 26.2 tt0 -111.83 107.67 16.79 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 108.769 -0.826 . . . . 71.23 108.769 178.745 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 83' ' ' VAL . . . . . 0.414 ' O ' ' HG3' ' A' ' 6' ' ' LYS . 10.5 p -108.57 141.1 24.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 71.44 111.103 -170.728 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 84' ' ' GLY . . . . . 0.43 ' HA2' ' HA ' ' A' ' 6' ' ' LYS . . . -138.08 168.23 24.65 Favored Glycine 0 N--CA 1.443 -0.896 0 C-N-CA 121.027 -0.606 . . . . 52.45 112.433 179.563 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -137.34 132.49 45.92 Favored 'Isoleucine or valine' 0 C--O 1.244 0.804 0 N-CA-C 108.674 -0.861 . . . . 73.1 108.674 -178.266 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 86' ' ' GLY . . . . . 0.496 ' HA2' ' HG ' ' A' ' 4' ' ' LEU . . . -148.76 169.82 29.24 Favored Glycine 0 C--N 1.33 0.202 0 O-C-N 124.238 0.961 . . . . 52.3 111.443 -178.069 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 87' ' ' PRO . . . . . 0.662 ' HD3' ' HG ' ' A' ' 4' ' ' LEU . 1.9 Cg_endo -80.76 121.23 4.06 Favored 'Trans proline' 0 N--CA 1.457 -0.668 0 C-N-CA 122.722 2.281 . . . . 61.3 112.311 -177.478 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 88' ' ' ASN . . . . . . . . . . . . . 53.7 t-20 -70.74 138.75 50.77 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 108.892 -0.781 . . . . 72.3 108.892 175.192 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -60.21 -20.09 57.21 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.076 0.465 . . . . 65.22 111.178 -178.878 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -69.09 -18.9 64.04 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 115.753 -0.658 . . . . 74.05 111.221 177.836 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.47 35.12 3.41 Favored Glycine 0 C--N 1.324 -0.103 0 CA-C-N 115.891 -0.595 . . . . 72.2 112.442 179.371 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . -141.86 -157.13 7.05 Favored Glycine 0 N--CA 1.451 -0.325 0 N-CA-C 110.79 -0.924 . . . . 70.13 110.79 176.394 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 93' ' ' PHE . . . . . 0.422 ' HE1' ' CZ ' ' A' ' 64' ' ' PHE . 67.6 m-85 -108.16 159.56 16.5 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 117.203 0.502 . . . . 73.12 110.123 176.894 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -144.66 141.54 29.43 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.108 -0.496 . . . . 62.21 110.166 -179.522 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -101.74 138.49 38.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.8 -0.637 . . . . 74.21 110.229 179.11 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 96' ' ' ASP . . . . . 0.644 ' HB3' HD11 ' A' ' 3' ' ' ILE . 34.7 t70 -138.6 110.8 7.36 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.323 -0.853 . . . . 73.53 109.704 -174.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 97' ' ' VAL . . . . . 0.602 HG13 HG13 ' B' ' 134' ' ' VAL . 3.9 p -128.21 128.9 69.1 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.902 0 CA-C-O 121.378 0.608 . . . . 65.34 112.076 -174.78 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 98' ' ' GLU . . . . . 0.442 ' HG3' ' HB3' ' B' ' 135' ' ' ARG . 1.5 mp0 -95.85 122.7 38.93 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.252 -0.885 . . . . 74.42 109.573 175.607 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 99' ' ' LEU . . . . . 0.478 ' HB2' HD23 ' B' ' 136' ' ' LEU . 70.5 mt -100.04 107.44 19.36 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.216 -0.661 . . . . 61.12 109.216 174.643 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 100' ' ' ARG . . . . . 0.526 ' HA ' ' O ' ' B' ' 137' ' ' VAL . 61.6 mtt85 -98.99 112.52 24.61 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.198 -0.455 . . . . 64.11 109.862 -176.596 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 101' ' ' VAL . . . . . . . . . . . . . 96.2 t -102.51 100.69 10.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.088 -0.505 . . . . 60.12 110.824 -174.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 102' ' ' ALA . . . . . 0.519 ' HA ' ' HB3' ' B' ' 139' ' ' ALA . . . -94.42 101.34 13.26 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.626 -0.509 . . . . 53.32 109.626 176.674 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 103' ' ' LEU . . . . . 0.403 ' HB2' HD23 ' B' ' 106' ' ' LEU . 13.1 mt -112.86 111.43 51.16 Favored Pre-proline 0 C--N 1.327 -0.382 0 CA-C-N 115.668 -0.696 . . . . 72.24 109.92 -178.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 104' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -70.98 147.77 55.71 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.697 2.265 . . . . 74.24 112.779 -179.461 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 105' ' ' GLY . . . . . . . . . . . . . . . 69.69 15.17 70.81 Favored Glycine 0 CA--C 1.521 0.408 0 CA-C-N 115.38 -0.827 . . . . 72.34 112.808 179.412 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 106' ' ' LEU . . . . . 0.412 HD21 ' HA ' ' B' ' 111' ' ' ALA . 23.9 tp -123.44 139.97 53.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.883 0.373 . . . . 60.53 111.176 -176.812 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -74.78 144.01 43.77 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.866 -0.606 . . . . 63.12 110.051 175.305 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 108' ' ' ALA . . . . . 0.453 ' O ' ' HG3' ' B' ' 112' ' ' LYS . . . -62.94 -38.5 91.26 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.836 0.35 . . . . 34.32 110.531 178.515 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -57.02 -51.74 68.03 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 115.948 -0.569 . . . . 64.51 110.66 179.373 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 110' ' ' ALA . . . . . 0.527 ' O ' HG22 ' B' ' 113' ' ' THR . . . -67.91 -38.59 83.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.108 -0.496 . . . . 72.03 110.551 178.174 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 111' ' ' ALA . . . . . 0.417 ' O ' HG23 ' B' ' 115' ' ' VAL . . . -55.43 -39.3 70.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.697 -0.683 . . . . 64.14 110.817 -179.321 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 112' ' ' LYS . . . . . 0.453 ' HG3' ' O ' ' B' ' 108' ' ' ALA . 68.5 mttm -52.99 -47.91 67.88 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.093 -0.503 . . . . 74.45 110.703 176.741 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 113' ' ' THR . . . . . 0.527 HG22 ' O ' ' B' ' 110' ' ' ALA . 0.7 OUTLIER -74.05 -33.4 63.69 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 116.446 -0.343 . . . . 72.03 110.708 -176.174 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 44.8 mt -66.9 -45.44 77.97 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-O 120.798 0.332 . . . . 70.23 110.42 179.183 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 115' ' ' VAL . . . . . 0.562 HG21 HG12 ' B' ' 138' ' ' VAL . 94.8 t -65.77 -36.02 76.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.165 -0.47 . . . . 63.55 110.059 177.288 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -58.8 -59.89 4.72 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 116.22 -0.445 . . . . 75.43 110.632 177.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 117' ' ' ARG . . . . . . . . . . . . . 10.6 ptm180 -60.49 -43.13 97.34 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 115.959 -0.564 . . . . 70.2 110.802 -177.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -63.33 -39.62 95.05 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.096 0.474 . . . . 61.11 110.784 179.816 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 119' ' ' HIS . . . . . 0.596 ' CE1' HG23 ' B' ' 128' ' ' THR . 28.8 t-80 -87.77 10.12 19.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.806 -0.634 . . . . 74.31 110.172 -178.369 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 5.0 t60 -107.53 -32.59 7.64 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.696 -0.683 . . . . 61.52 109.535 176.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 33.1 m -100.96 7.94 9.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.874 -0.603 . . . . 63.42 111.396 -177.896 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 122' ' ' CYS . . . . . 0.626 ' SG ' HG21 ' B' ' 128' ' ' THR . 18.8 p -65.66 140.88 97.6 Favored Pre-proline 0 CA--C 1.533 0.312 0 CA-C-N 116.444 -0.344 . . . . 74.53 110.688 -179.73 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 123' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_endo -64.02 -6.83 11.98 Favored 'Trans proline' 0 C--N 1.353 0.766 0 C-N-CA 122.788 2.325 . . . . 65.25 112.833 -177.492 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 124' ' ' TYR . . . . . . . . . . . . . 55.0 m-85 -88.02 15.74 6.92 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-O 121.126 0.489 . . . . 65.35 110.106 177.592 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 125' ' ' SER . . . . . . . . . . . . . 9.3 t 77.5 168.02 0.23 Allowed 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 115.106 -0.952 . . . . 64.23 111.804 172.325 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 126' ' ' ASN . . . . . 0.518 ' O ' ' HG2' ' B' ' 129' ' ' ARG . 58.1 t30 -72.83 -31.03 64.5 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-O 121.623 0.725 . . . . 74.24 109.85 178.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 127' ' ' ALA . . . . . 0.522 ' O ' ' HB3' ' B' ' 131' ' ' ASN . . . -63.09 6.81 0.1 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.009 -0.996 . . . . 65.3 112.553 -179.762 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 128' ' ' THR . . . . . 0.626 HG21 ' SG ' ' B' ' 122' ' ' CYS . 14.9 t -89.85 -12.37 39.26 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 108.159 -1.052 . . . . 55.14 108.159 -173.326 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 129' ' ' ARG . . . . . 0.518 ' HG2' ' O ' ' B' ' 126' ' ' ASN . 23.5 ptt180 -118.06 -48.2 2.55 Favored 'General case' 0 N--CA 1.445 -0.693 0 CA-C-N 114.821 -1.081 . . . . 75.21 111.139 -178.712 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 130' ' ' ASN . . . . . 0.445 ' N ' ' HG3' ' B' ' 129' ' ' ARG . 6.6 m120 -78.81 -35.5 44.11 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.351 -0.386 . . . . 74.14 110.975 -175.04 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 131' ' ' ASN . . . . . 0.522 ' HB3' ' O ' ' B' ' 127' ' ' ALA . 66.0 t30 -92.2 -42.4 9.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.903 -0.589 . . . . 75.43 110.991 -175.293 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 132' ' ' VAL . . . . . 0.418 HG23 ' O ' ' B' ' 127' ' ' ALA . 48.3 t -96.57 146.21 7.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.783 -0.644 . . . . 52.13 110.633 -175.229 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 133' ' ' ALA . . . . . . . . . . . . . . . -79.35 82.26 5.52 Favored 'General case' 0 C--O 1.239 0.526 0 CA-C-O 122.025 0.916 . . . . 72.23 111.078 -178.405 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 134' ' ' VAL . . . . . 0.602 HG13 HG13 ' B' ' 97' ' ' VAL . 24.1 t -119.56 105.97 18.31 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.751 0 CA-C-N 114.594 -1.184 . . . . 61.1 109.947 176.393 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 135' ' ' ARG . . . . . 0.442 ' HB3' ' HG3' ' B' ' 98' ' ' GLU . 0.1 OUTLIER -78.98 103.12 8.71 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.357 -0.609 . . . . 74.32 109.357 -178.943 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 136' ' ' LEU . . . . . 0.478 HD23 ' HB2' ' B' ' 99' ' ' LEU . 71.5 mt -74.67 114.66 13.35 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.277 -0.419 . . . . 72.41 110.247 175.81 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 137' ' ' VAL . . . . . 0.526 ' O ' ' HA ' ' B' ' 100' ' ' ARG . 0.2 OUTLIER -123.57 117.49 51.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 115.388 -0.824 . . . . 72.22 109.79 -178.753 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 138' ' ' VAL . . . . . 0.562 HG12 HG21 ' B' ' 115' ' ' VAL . 3.2 m -97.6 138.51 22.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 115.895 -0.593 . . . . 70.52 109.724 -178.927 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 139' ' ' ALA . . . . . 0.519 ' HB3' ' HA ' ' B' ' 102' ' ' ALA . . . . . . . . 0 C--O 1.251 1.166 0 CA-C-N 115.969 -0.56 . . . . 71.35 110.284 -175.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.6 ptt? . . . . . 0 N--CA 1.484 1.274 0 N-CA-C 110.35 -0.241 . . . . 71.43 110.35 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -73.01 75.79 1.2 Allowed 'General case' 0 CA--C 1.536 0.417 0 CA-C-O 121.35 0.595 . . . . 75.52 110.773 177.474 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.551 HG21 ' HB2' ' A' ' 6' ' ' LYS . 25.0 mm -75.66 142.15 14.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.61 -0.723 . . . . 51.02 111.693 176.886 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.701 ' HG ' ' HD3' ' B' ' 87' ' ' PRO . 90.8 mt -94.13 -46.58 7.04 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.621 -0.718 . . . . 74.21 109.997 172.108 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 54.5 t80 -137.41 131.92 32.71 Favored 'General case' 0 C--O 1.223 -0.302 0 CA-C-N 116.259 -0.428 . . . . 54.43 110.091 -178.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.551 ' HB2' HG21 ' A' ' 3' ' ' ILE . 30.7 ttmt -138.21 135.23 35.39 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.513 -0.312 . . . . 62.42 110.418 179.285 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 8.8 t -132.83 144.14 50.02 Favored 'General case' 0 C--O 1.239 0.535 0 CA-C-N 115.999 -0.546 . . . . 73.02 109.918 -178.19 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.448 ' HA ' ' HA ' ' B' ' 82' ' ' GLU . . . -111.37 151.44 28.46 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-O 121.353 0.597 . . . . 64.34 111.759 -174.916 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.427 ' HB2' ' HG2' ' B' ' 48' ' ' GLN . . . -151.45 117.87 5.67 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.463 -0.79 . . . . 65.14 109.965 176.791 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.561 ' HA ' ' HA ' ' B' ' 80' ' ' THR . 12.4 t -100.06 133.39 44.52 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.843 -0.617 . . . . 73.43 109.56 -177.493 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 76.4 p -117.35 113.23 21.82 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.417 -0.356 . . . . 71.32 110.587 -177.395 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 4.7 m -90.48 158.41 17.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.483 . . . . 72.12 111.216 -178.345 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -83.55 73.57 2.65 Favored Glycine 0 N--CA 1.447 -0.625 0 C-N-CA 121.041 -0.599 . . . . 62.44 112.066 175.833 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -70.85 -123.22 0.05 OUTLIER Glycine 0 CA--C 1.52 0.349 0 C-N-CA 121.346 -0.454 . . . . 62.02 112.438 178.33 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.63 ' HA ' ' HE ' ' A' ' 15' ' ' ARG . 0.1 OUTLIER -61.44 -55.15 34.52 Favored 'General case' 0 N--CA 1.462 0.155 0 N-CA-C 108.789 -0.819 . . . . 73.04 108.789 175.182 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.593 ' HB3' ' HA ' ' A' ' 31' ' ' SER . 26.2 t0 -125.73 -42.53 1.92 Allowed 'General case' 0 CA--C 1.511 -0.542 0 CA-C-N 115.2 -0.909 . . . . 74.22 108.685 167.217 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -161.7 166.81 36.24 Favored Glycine 0 N--CA 1.439 -1.115 0 C-N-CA 119.715 -1.231 . . . . 73.12 112.163 173.7 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.679 ' HA ' ' HA ' ' A' ' 29' ' ' LYS . 14.8 mtm180 -130.83 171.31 13.29 Favored 'General case' 0 C--N 1.311 -1.069 0 N-CA-C 109.256 -0.646 . . . . 73.24 109.256 173.214 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.609 ' HB1' ' HB1' ' B' ' 52' ' ' ALA . . . -149.15 123.02 9.32 Favored 'General case' 0 C--N 1.313 -1.009 0 N-CA-C 108.646 -0.872 . . . . 71.12 108.646 173.715 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 29.0 m -135.73 110.27 8.56 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 116.162 -0.472 . . . . 63.53 110.38 -177.014 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.569 ' HB3' ' N ' ' A' ' 26' ' ' LEU . 48.0 t -68.67 107.21 2.89 Favored 'General case' 0 C--O 1.245 0.857 0 N-CA-C 106.866 -1.531 . . . . 62.3 106.866 176.466 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.419 ' C ' ' H ' ' A' ' 24' ' ' GLN . 19.4 t-80 -60.56 -14.91 22.75 Favored 'General case' 0 C--N 1.343 0.302 0 O-C-N 125.748 1.905 . . . . 71.44 111.658 -168.817 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.54 ' HB2' ' HE2' ' A' ' 25' ' ' LYS . 13.5 m-20 -80.4 13.4 2.45 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.126 -0.694 . . . . 73.43 109.126 175.288 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.419 ' H ' ' C ' ' A' ' 22' ' ' HIS . 26.0 mm-40 65.48 30.27 10.84 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 115.052 -0.976 . . . . 72.53 109.722 178.917 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.54 ' HE2' ' HB2' ' A' ' 23' ' ' ASP . 55.0 mtmt -98.23 -19.09 18.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 114.892 -1.049 . . . . 73.44 110.73 178.683 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.569 ' N ' ' HB3' ' A' ' 21' ' ' SER . 43.6 tp -152.6 148.06 26.89 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 119.956 -0.698 . . . . 74.42 111.887 178.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -159.55 99.97 1.46 Allowed 'General case' 0 N--CA 1.468 0.452 0 O-C-N 123.696 0.622 . . . . 74.13 110.138 174.341 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 4.1 m -145.73 178.26 1.34 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 C-N-CA 122.903 0.481 . . . . 62.12 111.776 -178.65 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.679 ' HA ' ' HA ' ' A' ' 18' ' ' ARG . 13.1 ttmt -132.3 144.78 50.82 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.39 -0.823 . . . . 62.42 110.387 179.563 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.544 ' N ' HD13 ' A' ' 30' ' ' LEU . 0.0 OUTLIER -128.33 161.43 29.42 Favored 'General case' 0 C--O 1.254 1.304 0 CA-C-O 121.108 0.48 . . . . 64.12 110.582 175.301 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.593 ' HA ' ' HB3' ' A' ' 16' ' ' ASP . 49.0 m -156.8 135.12 11.33 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 115.409 -0.814 . . . . 75.34 110.59 -176.022 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -79.23 140.67 56.98 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-N 116.139 -0.482 . . . . 52.21 110.202 176.605 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.725 ' HB2' ' HG2' ' A' ' 35' ' ' GLU . 39.9 Cg_endo -65.47 150.07 87.23 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.324 2.016 . . . . 73.33 111.181 178.839 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.67 ' HB2' ' HA3' ' A' ' 40' ' ' GLY . 5.3 tpt180 -82.43 3.65 27.3 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.635 0.255 . . . . 50.12 110.365 -174.781 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.725 ' HG2' ' HB2' ' A' ' 33' ' ' PRO . 16.3 mm-40 -42.46 -61.48 1.2 Allowed 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 115.636 -0.711 . . . . 75.14 111.291 178.324 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 7.4 mp -95.9 13.26 27.41 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.437 -0.802 . . . . 63.44 110.734 -177.241 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 94.1 32.78 7.28 Favored Glycine 0 C--N 1.33 0.234 0 CA-C-N 115.983 -0.553 . . . . 72.22 112.341 -177.637 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -73.77 -123.04 0.09 OUTLIER Glycine 0 C--N 1.333 0.372 0 C-N-CA 121.345 -0.455 . . . . 73.44 112.366 178.059 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -117.41 -17.57 10.06 Favored 'General case' 0 C--N 1.332 -0.179 0 O-C-N 122.459 -0.436 . . . . 63.22 112.1 -179.06 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.67 ' HA3' ' HB2' ' A' ' 34' ' ' ARG . . . 53.95 78.13 0.12 Allowed Glycine 0 C--N 1.333 0.38 0 O-C-N 123.279 0.362 . . . . 45.53 113.979 175.625 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -162.5 -178.81 6.49 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.206 0.527 . . . . 44.21 111.71 178.534 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -88.25 81.15 7.38 Favored 'General case' 0 CA--C 1.515 -0.395 0 CA-C-N 115.283 -0.871 . . . . 71.23 110.407 -177.224 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -148.4 177.21 26.8 Favored Glycine 0 C--N 1.309 -0.954 0 CA-C-N 114.503 -1.226 . . . . 55.55 111.908 178.56 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.522 ' H ' ' HA ' ' A' ' 30' ' ' LEU . 25.5 m -87.6 152.44 22.18 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.646 -0.502 . . . . 74.01 109.646 179.152 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.455 ' OD1' ' HD3' ' A' ' 33' ' ' PRO . 19.5 m-20 -86.26 122.28 72.34 Favored Pre-proline 0 C--N 1.326 -0.447 0 N-CA-C 108.946 -0.761 . . . . 72.33 108.946 178.516 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 6.6 Cg_endo -47.06 -52.55 7.61 Favored 'Trans proline' 0 C--N 1.349 0.581 0 C-N-CA 123.195 2.597 . . . . 63.04 112.912 -174.381 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -66.27 -32.92 74.63 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.086 0.47 . . . . 62.13 110.505 -176.683 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 9.9 tt0 -69.97 -30.83 68.28 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.146 0.498 . . . . 72.35 109.962 177.045 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.414 HD12 ' HA3' ' B' ' 53' ' ' GLY . 3.0 tm? -67.2 -44.06 80.56 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 108.753 -0.832 . . . . 71.11 108.753 177.066 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 36.6 t80 -60.52 -45.62 93.14 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 115.893 -0.594 . . . . 64.45 110.566 174.234 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -53.09 -50.53 64.23 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-O 120.864 0.364 . . . . 52.03 111.367 176.552 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.61 -47.36 85.87 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 116.106 -0.497 . . . . 51.43 110.511 179.406 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.56 ' HA3' HD12 ' B' ' 49' ' ' LEU . . . -63.52 -35.58 92.24 Favored Glycine 0 C--O 1.226 -0.388 0 CA-C-N 115.69 -0.686 . . . . 45.35 112.264 179.369 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -64.0 -47.92 78.44 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.315 -0.624 . . . . 71.4 109.315 179.565 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 18.4 m -61.24 -47.57 85.46 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.832 -0.622 . . . . 50.31 110.352 178.56 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.602 ' HB1' HD21 ' B' ' 30' ' ' LEU . . . -64.17 -42.69 96.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.482 -0.781 . . . . 72.41 111.314 -178.422 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.598 ' SG ' ' HB3' ' B' ' 46' ' ' PRO . 74.4 m -67.99 -38.9 83.21 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.442 -0.344 . . . . 74.4 110.284 -179.864 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 29.8 t80 -63.03 -41.16 99.45 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.961 -0.563 . . . . 64.12 109.52 179.789 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -68.38 -49.77 57.73 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 115.434 -0.803 . . . . 74.12 110.461 -178.488 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.616 ' HA ' ' HD3' ' A' ' 63' ' ' LYS . 24.6 t -63.62 -44.59 93.46 Favored 'General case' 0 C--O 1.24 0.569 0 CA-C-O 121.068 0.461 . . . . 74.4 110.348 -178.772 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -60.08 -42.56 94.85 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 116.256 -0.429 . . . . 64.15 110.003 177.004 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' MET . . . . . 0.557 ' HG3' HD11 ' A' ' 73' ' ' LEU . 3.2 tpt -58.23 -38.13 76.22 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 115.677 -0.692 . . . . 61.32 110.118 177.194 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.616 ' HD3' ' HA ' ' A' ' 60' ' ' SER . 25.6 mtpp -61.7 -50.03 74.11 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 115.869 -0.605 . . . . 62.32 110.333 176.605 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 50.6 t80 -58.07 -46.98 84.54 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 116.132 -0.485 . . . . 70.35 110.73 177.86 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 54.1 t -56.99 -42.64 79.5 Favored 'Isoleucine or valine' 0 C--O 1.236 0.39 0 CA-C-N 115.906 -0.588 . . . . 51.41 110.931 179.583 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.466 ' HA ' ' HG3' ' A' ' 71' ' ' GLN . . . -57.31 -32.33 66.57 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.293 0.568 . . . . 55.45 110.374 177.809 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -72.29 -26.56 71.79 Favored Glycine 0 N--CA 1.452 -0.291 0 CA-C-N 115.185 -0.916 . . . . 65.01 112.653 -176.21 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -97.72 -23.41 15.94 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.162 0.506 . . . . 73.33 109.742 -178.197 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 25.4 m-80 -89.24 -0.48 57.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.454 -0.794 . . . . 73.35 111.395 179.586 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 9.3 mptt 62.4 26.52 15.83 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 116.148 -0.478 . . . . 70.5 111.54 176.845 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.466 ' HG3' ' HA ' ' A' ' 66' ' ' ALA . 1.1 pt20 -111.88 169.58 8.74 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.005 -0.543 . . . . 65.11 110.447 -179.349 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 26.8 p -123.08 141.37 52.04 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-N 116.299 -0.409 . . . . 71.13 110.862 -178.314 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.557 HD11 ' HG3' ' A' ' 62' ' ' MET . 95.9 mt -109.4 142.74 26.31 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 116.19 -0.459 . . . . 63.13 110.964 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.52 ' O ' HG22 ' A' ' 77' ' ' THR . 19.3 Cg_exo -67.02 141.35 57.68 Favored 'Trans proline' 0 C--N 1.349 0.559 0 C-N-CA 122.845 2.363 . . . . 75.32 112.015 177.551 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -77.06 -15.35 59.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.429 0.633 . . . . 74.43 110.895 178.799 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -91.98 12.37 22.05 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.156 -0.929 . . . . 72.44 112.12 -172.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.52 HG22 ' O ' ' A' ' 74' ' ' PRO . 8.6 t -89.07 153.49 20.94 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.17 0.51 . . . . 73.42 111.986 -175.674 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.0 p -144.38 154.38 42.93 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.43 -0.805 . . . . 65.01 110.583 179.424 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 84.8 t -130.51 123.77 55.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 115.866 -0.606 . . . . 73.54 109.4 175.377 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 32.6 m -113.46 110.93 21.1 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.356 -0.384 . . . . 61.0 110.558 -178.841 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -93.11 107.09 18.96 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.228 -0.442 . . . . 75.0 109.827 177.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.469 ' HA ' ' HA ' ' B' ' 8' ' ' ALA . 36.3 tt0 -104.95 107.71 18.83 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.056 -0.72 . . . . 74.0 109.056 -179.264 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.404 HG12 ' HB ' ' A' ' 97' ' ' VAL . 24.8 m -101.69 141.21 18.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.377 -0.374 . . . . 74.25 111.441 -173.258 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -130.94 153.14 20.18 Favored Glycine 0 N--CA 1.444 -0.819 0 N-CA-C 111.222 -0.751 . . . . 64.22 111.222 176.047 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -132.7 133.0 59.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 N-CA-C 109.327 -0.62 . . . . 71.32 109.327 -179.39 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -149.03 169.96 29.42 Favored Glycine 0 N--CA 1.453 -0.174 0 CA-C-N 115.495 -0.775 . . . . 64.2 111.168 179.758 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.503 ' HD3' ' HG ' ' B' ' 4' ' ' LEU . 62.1 Cg_endo -72.83 138.06 28.14 Favored 'Trans proline' 0 N--CA 1.461 -0.399 0 C-N-CA 122.186 1.924 . . . . 75.13 111.855 -178.126 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 54.4 t-20 -83.6 139.48 32.81 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.049 -0.722 . . . . 63.43 109.049 178.316 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -62.53 -16.56 56.57 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.956 0.408 . . . . 74.31 110.725 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -68.38 -19.39 64.62 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 115.527 -0.761 . . . . 62.35 111.047 175.379 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.31 34.87 3.52 Favored Glycine 0 CA--C 1.518 0.223 0 CA-C-N 115.813 -0.631 . . . . 52.42 111.963 -177.481 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -144.7 -135.61 2.92 Favored Glycine 0 C--N 1.331 0.255 0 N-CA-C 111.473 -0.651 . . . . 74.12 111.473 178.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 -126.21 163.17 23.76 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.917 -0.401 . . . . 72.25 109.917 178.2 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -150.61 147.13 27.04 Favored 'General case' 0 C--O 1.239 0.527 0 CA-C-N 116.345 -0.389 . . . . 73.43 110.497 -177.502 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -113.76 134.88 54.5 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 115.404 -0.816 . . . . 75.45 109.775 -176.274 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.481 ' HB2' ' SD ' ' B' ' 1' ' ' MET . 11.4 t70 -133.07 112.11 11.52 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.125 -0.694 . . . . 62.1 109.125 -178.243 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.417 ' O ' ' HA ' ' A' ' 134' ' ' VAL . 2.4 p -113.99 117.72 56.31 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.258 0 CA-C-O 121.292 0.567 . . . . 41.42 112.122 -174.379 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.509 ' HA ' ' HB2' ' A' ' 135' ' ' ARG . 42.7 mt-10 -88.05 104.26 16.49 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.607 -0.724 . . . . 51.52 109.36 175.576 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 14.2 tp -93.91 110.74 22.39 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.342 -0.614 . . . . 73.33 109.342 -178.164 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.55 ' HA ' ' O ' ' A' ' 137' ' ' VAL . 53.5 mtt-85 -99.49 124.36 44.59 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.583 -0.735 . . . . 73.43 110.38 -174.323 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 43.9 t -111.91 98.33 6.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 116.269 -0.423 . . . . 72.23 110.316 -176.272 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -91.72 101.4 14.01 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.964 0.411 . . . . 73.1 109.946 -179.632 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.44 ' HB2' HD23 ' A' ' 106' ' ' LEU . 26.7 mt -112.97 114.75 48.79 Favored Pre-proline 0 C--N 1.326 -0.42 0 CA-C-N 115.771 -0.649 . . . . 73.31 109.996 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 66.9 Cg_endo -73.79 152.45 47.27 Favored 'Trans proline' 0 C--O 1.235 0.334 0 C-N-CA 122.63 2.22 . . . . 73.52 111.824 179.256 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 68.28 15.06 67.38 Favored Glycine 0 CA--C 1.52 0.368 0 CA-C-N 115.854 -0.612 . . . . 54.45 112.686 -178.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.44 HD23 ' HB2' ' A' ' 103' ' ' LEU . 35.6 tp -126.72 141.41 51.85 Favored 'General case' 0 N--CA 1.464 0.236 0 C-N-CA 122.478 0.311 . . . . 65.03 110.28 -177.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -78.4 163.59 25.52 Favored 'General case' 0 CA--C 1.509 -0.606 0 CA-C-N 116.498 -0.319 . . . . 72.42 111.002 -179.67 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.559 ' O ' ' HG2' ' A' ' 112' ' ' LYS . . . -66.91 -44.53 80.54 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.428 -0.805 . . . . 74.35 109.748 169.674 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -58.89 -50.46 73.95 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 115.632 -0.713 . . . . 64.13 110.865 -176.653 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.49 ' O ' ' HG ' ' A' ' 114' ' ' LEU . . . -70.21 -44.45 68.62 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.865 -0.607 . . . . 73.25 109.972 179.451 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -54.74 -35.09 63.36 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 115.77 -0.65 . . . . 54.13 111.746 179.813 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.559 ' HG2' ' O ' ' A' ' 108' ' ' ALA . 12.5 mmmm -52.08 -49.43 63.55 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 120.896 0.379 . . . . 74.23 110.945 179.281 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 113' ' ' THR . . . . . 0.419 HG22 ' O ' ' A' ' 110' ' ' ALA . 2.2 t -79.85 -36.31 36.92 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 116.175 -0.466 . . . . 74.22 110.435 -176.132 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.49 ' HG ' ' O ' ' A' ' 110' ' ' ALA . 33.6 mt -60.8 -51.05 70.99 Favored 'General case' 0 C--O 1.228 -0.057 0 CA-C-N 115.986 -0.552 . . . . 61.01 110.905 -178.33 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.465 HG21 HG12 ' A' ' 138' ' ' VAL . 93.5 t -62.99 -38.65 82.58 Favored 'Isoleucine or valine' 0 C--O 1.236 0.395 0 CA-C-O 120.985 0.421 . . . . 72.22 110.483 178.896 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -54.91 -59.82 4.21 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 115.667 -0.697 . . . . 63.5 110.504 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 13.1 ptm180 -69.49 -34.33 74.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.676 -0.693 . . . . 65.24 110.675 -177.58 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.508 ' HA ' HG22 ' A' ' 121' ' ' VAL . . . -57.79 -36.95 72.89 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 115.857 -0.61 . . . . 63.41 110.549 177.625 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 119' ' ' HIS . . . . . 0.498 ' O ' ' HB3' ' A' ' 123' ' ' PRO . 3.8 t-80 -67.55 -9.69 44.93 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 115.737 -0.665 . . . . 74.13 111.157 -178.535 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 120' ' ' HIS . . . . . 0.448 ' HB2' ' NH1' ' A' ' 129' ' ' ARG . 20.2 t-160 -108.7 -42.85 4.4 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 116.603 -0.271 . . . . 75.14 111.403 175.864 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.508 HG22 ' HA ' ' A' ' 118' ' ' ALA . 27.6 m -81.93 -19.66 10.75 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.302 0 N-CA-C 111.637 0.236 . . . . 74.54 111.637 -174.904 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 122' ' ' CYS . . . . . 0.515 ' N ' ' HD3' ' A' ' 123' ' ' PRO . 53.9 t -141.71 57.12 6.66 Favored Pre-proline 0 CA--C 1.535 0.391 0 CA-C-O 120.757 0.313 . . . . 72.12 110.943 -179.384 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 123' ' ' PRO . . . . . 0.515 ' HD3' ' N ' ' A' ' 122' ' ' CYS . 36.2 Cg_endo -100.03 -168.99 0.09 OUTLIER 'Trans proline' 0 N--CA 1.453 -0.878 0 C-N-CA 123.271 2.647 . . . . 74.45 112.234 -179.841 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -102.76 -4.94 24.25 Favored 'General case' 0 CA--C 1.534 0.336 0 N-CA-C 108.989 -0.745 . . . . 65.44 108.989 173.174 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 125' ' ' SER . . . . . 0.446 ' O ' HG22 ' A' ' 128' ' ' THR . 42.5 t 171.2 164.3 0.08 Allowed 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 114.866 -1.061 . . . . 62.44 108.77 179.675 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 28.2 p-10 -72.21 -31.94 66.32 Favored 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 108.7 -0.852 . . . . 73.42 108.7 173.688 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 127' ' ' ALA . . . . . 0.629 ' O ' ' HB3' ' A' ' 131' ' ' ASN . . . -71.48 6.81 1.64 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 114.9 -1.046 . . . . 54.1 111.713 -179.5 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 128' ' ' THR . . . . . 0.446 HG22 ' O ' ' A' ' 125' ' ' SER . 3.3 t -92.84 -1.63 56.6 Favored 'General case' 0 CA--C 1.514 -0.433 0 N-CA-C 108.592 -0.892 . . . . 73.21 108.592 -171.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 129' ' ' ARG . . . . . 0.448 ' NH1' ' HB2' ' A' ' 120' ' ' HIS . 13.8 ptm180 -127.85 -46.76 1.4 Allowed 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 115.161 -0.927 . . . . 72.04 111.782 -178.386 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -78.48 -48.12 16.0 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-O 121.455 0.645 . . . . 71.52 110.858 177.809 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 131' ' ' ASN . . . . . 0.629 ' HB3' ' O ' ' A' ' 127' ' ' ALA . 2.5 t-20 -77.94 -43.51 29.62 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 114.984 -1.007 . . . . 72.12 111.1 -175.125 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 58.9 t -101.94 136.08 35.7 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.261 0 CA-C-N 116.352 -0.385 . . . . 70.22 110.464 -178.538 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -82.35 99.55 9.44 Favored 'General case' 0 C--O 1.239 0.51 0 CA-C-O 121.159 0.504 . . . . 45.42 110.987 -179.044 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 134' ' ' VAL . . . . . 0.417 ' HA ' ' O ' ' A' ' 97' ' ' VAL . 13.7 t -118.34 113.91 43.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.654 -0.703 . . . . 75.02 110.965 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 135' ' ' ARG . . . . . 0.509 ' HB2' ' HA ' ' A' ' 98' ' ' GLU . 11.2 mmt180 -75.18 103.66 5.44 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.052 -0.721 . . . . 72.41 109.052 175.581 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.43 HD23 ' HA ' ' A' ' 136' ' ' LEU . 31.2 mt -77.2 108.64 10.45 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.087 0.47 . . . . 50.04 110.107 177.092 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 137' ' ' VAL . . . . . 0.55 ' O ' ' HA ' ' A' ' 100' ' ' ARG . 0.1 OUTLIER -119.94 117.1 52.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.33 -0.85 . . . . 74.42 109.658 -179.32 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 138' ' ' VAL . . . . . 0.465 HG12 HG21 ' A' ' 115' ' ' VAL . 2.5 m -88.61 138.87 18.32 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 115.598 -0.728 . . . . 53.11 109.818 -177.272 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.316 -0.849 0 CA-C-N 115.918 -0.583 . . . . 73.13 110.808 -177.903 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.481 ' SD ' ' HB2' ' A' ' 96' ' ' ASP . 28.3 ptm . . . . . 0 C--O 1.234 0.263 0 CA-C-O 120.841 0.353 . . . . 72.42 110.733 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 2' ' ' ASN . . . . . 0.428 ' O ' ' HD2' ' A' ' 87' ' ' PRO . 43.8 t30 -95.74 85.66 4.19 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.713 -0.676 . . . . 61.35 109.799 -179.092 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 3' ' ' ILE . . . . . 0.457 HG21 ' HB2' ' B' ' 6' ' ' LYS . 33.0 mm -71.56 120.79 20.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 116.004 -0.544 . . . . 72.42 111.656 179.378 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.503 ' HG ' ' HD3' ' A' ' 87' ' ' PRO . 90.5 mt -82.73 -45.27 14.63 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.288 -0.869 . . . . 75.25 110.092 177.035 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 5' ' ' TYR . . . . . . . . . . . . . 51.9 t80 -135.51 131.4 36.0 Favored 'General case' 0 C--O 1.223 -0.301 0 CA-C-N 116.097 -0.502 . . . . 75.45 110.459 -178.202 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 6' ' ' LYS . . . . . 0.457 ' HB2' HG21 ' B' ' 3' ' ' ILE . 38.7 ttmt -136.73 143.02 43.1 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.09 -0.504 . . . . 65.01 110.488 178.811 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 15.0 t -147.92 153.05 38.57 Favored 'General case' 0 C--O 1.236 0.376 0 N-CA-C 109.095 -0.706 . . . . 72.52 109.095 179.49 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 8' ' ' ALA . . . . . 0.469 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . . . -120.41 145.9 46.73 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 121.291 0.567 . . . . 64.22 112.233 -172.691 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 9' ' ' ALA . . . . . 0.641 ' HA ' ' H ' ' B' ' 22' ' ' HIS . . . -130.23 135.6 48.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.669 -0.696 . . . . 31.45 109.889 174.852 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 92.4 m -120.39 122.39 40.65 Favored 'General case' 0 N--CA 1.446 -0.648 0 N-CA-C 108.992 -0.744 . . . . 64.31 108.992 -173.393 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 49.8 m -124.84 131.4 53.44 Favored 'General case' 0 C--N 1.314 -0.966 0 CA-C-N 116.271 -0.422 . . . . 74.14 111.141 -174.628 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 7.3 m -108.29 159.3 16.75 Favored 'General case' 0 C--O 1.239 0.517 0 CA-C-N 116.081 -0.509 . . . . 53.42 110.951 -177.562 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -84.76 75.28 2.38 Favored Glycine 0 N--CA 1.445 -0.741 0 CA-C-N 115.861 -0.609 . . . . 71.12 111.857 175.546 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -69.49 -145.21 0.2 Allowed Glycine 0 C--N 1.336 0.54 0 C-N-CA 121.307 -0.473 . . . . 73.4 112.379 176.209 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 15' ' ' ARG . . . . . 0.511 ' HG3' ' HB2' ' B' ' 41' ' ' ALA . 7.2 tpp180 -51.88 -52.96 46.04 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 116.809 0.304 . . . . 65.14 110.668 178.753 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 16' ' ' ASP . . . . . 0.481 ' HB3' ' HA ' ' B' ' 31' ' ' SER . 9.0 t70 -125.75 -42.97 1.89 Allowed 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 108.743 -0.836 . . . . 65.33 108.743 172.51 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 17' ' ' GLY . . . . . 0.417 ' O ' ' HG3' ' B' ' 29' ' ' LYS . . . -166.57 159.47 32.8 Favored Glycine 0 C--N 1.342 0.887 0 N-CA-C 111.199 -0.76 . . . . 74.22 111.199 165.287 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 18' ' ' ARG . . . . . 0.572 ' HA ' ' HA ' ' B' ' 29' ' ' LYS . 4.4 tmm_? -140.66 118.81 11.98 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 117.322 0.561 . . . . 74.4 109.893 178.916 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -111.52 124.03 51.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.466 -0.334 . . . . 64.21 110.656 -176.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 76.2 m -131.31 112.91 13.18 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.191 -0.458 . . . . 75.11 110.0 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 21' ' ' SER . . . . . 0.606 ' HB3' ' N ' ' B' ' 26' ' ' LEU . 29.2 t -65.25 107.91 1.74 Allowed 'General case' 0 C--O 1.247 0.965 0 N-CA-C 107.655 -1.239 . . . . 74.21 107.655 176.665 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 22' ' ' HIS . . . . . 0.641 ' H ' ' HA ' ' B' ' 9' ' ' ALA . 7.8 t-80 -47.85 -38.02 15.18 Favored 'General case' 0 N--CA 1.467 0.413 0 O-C-N 126.205 2.191 . . . . 73.12 113.082 -166.668 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -80.14 25.73 0.37 Allowed 'General case' 0 C--N 1.317 -0.832 0 CA-C-O 121.148 0.499 . . . . 63.54 110.901 -176.262 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 24' ' ' GLN . . . . . 0.413 ' H ' ' C ' ' B' ' 22' ' ' HIS . 26.6 mm-40 69.6 21.41 6.67 Favored 'General case' 0 CA--C 1.519 -0.227 0 CA-C-N 115.2 -0.909 . . . . 71.43 110.358 173.427 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 25' ' ' LYS . . . . . 0.552 ' HB2' ' OG ' ' B' ' 21' ' ' SER . 18.2 mmtm -86.88 -24.82 24.74 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.135 -0.939 . . . . 41.25 111.297 -179.413 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 26' ' ' LEU . . . . . 0.606 ' N ' ' HB3' ' B' ' 21' ' ' SER . 31.8 tp -156.44 152.04 26.97 Favored 'General case' 0 CA--C 1.505 -0.767 0 C-N-CA 119.902 -0.719 . . . . 71.52 111.679 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -159.8 94.15 1.12 Allowed 'General case' 0 N--CA 1.447 -0.601 0 CA-C-N 115.34 -0.845 . . . . 53.33 110.32 -179.321 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 4.6 m -144.25 177.74 1.96 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.405 0 CA-C-O 121.553 0.692 . . . . 74.12 111.898 179.287 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.572 ' HA ' ' HA ' ' B' ' 18' ' ' ARG . 24.7 ttmt -123.98 140.91 52.51 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 114.849 -1.069 . . . . 64.31 109.813 178.83 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 30' ' ' LEU . . . . . 0.742 ' HA ' ' H ' ' B' ' 44' ' ' THR . 0.0 OUTLIER -126.12 169.92 12.31 Favored 'General case' 0 C--O 1.253 1.26 0 CA-C-N 116.258 -0.428 . . . . 72.32 109.968 177.924 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 31' ' ' SER . . . . . 0.481 ' HA ' ' HB3' ' B' ' 16' ' ' ASP . 21.8 m -159.02 134.52 8.57 Favored 'General case' 0 N--CA 1.446 -0.657 0 CA-C-N 115.634 -0.712 . . . . 62.35 111.914 -174.058 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 32' ' ' ALA . . . . . 0.41 ' O ' ' N ' ' B' ' 34' ' ' ARG . . . -90.61 93.73 0.55 Allowed Pre-proline 0 N--CA 1.444 -0.728 0 N-CA-C 107.037 -1.468 . . . . 75.13 107.037 162.364 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 33' ' ' PRO . . . . . 0.512 ' O ' ' HG2' ' B' ' 35' ' ' GLU . 56.4 Cg_endo -66.27 65.18 0.49 Allowed 'Trans proline' 0 C--N 1.354 0.852 0 C-N-CA 123.357 2.705 . . . . 71.3 113.112 -167.31 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 34' ' ' ARG . . . . . 0.505 ' O ' ' N ' ' B' ' 36' ' ' LEU . 19.2 mmt180 50.48 -96.73 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.849 -0.614 . . . . 71.43 111.47 -176.176 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 35' ' ' GLU . . . . . 0.512 ' HG2' ' O ' ' B' ' 33' ' ' PRO . 12.9 mm-40 50.07 -74.55 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 O-C-N 124.203 0.939 . . . . 72.42 112.588 -177.506 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.677 ' HG ' HD12 ' B' ' 85' ' ' ILE . 1.3 mm? -85.63 -36.05 20.57 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.827 -0.805 . . . . 63.52 108.827 -175.5 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 152.29 39.38 0.03 OUTLIER Glycine 0 N--CA 1.448 -0.555 0 CA-C-N 114.668 -1.151 . . . . 51.22 111.489 -179.538 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 38' ' ' GLY . . . . . 0.424 ' H ' ' HA ' ' B' ' 34' ' ' ARG . . . -77.65 -128.0 0.4 Allowed Glycine 0 C--N 1.336 0.532 0 C-N-CA 120.491 -0.861 . . . . 64.12 111.742 -178.382 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 39' ' ' ALA . . . . . 0.478 ' HB3' ' OD1' ' B' ' 16' ' ' ASP . . . -116.01 -47.11 2.79 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.972 -0.381 . . . . 71.25 109.972 176.466 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 114.18 103.06 2.51 Favored Glycine 0 C--N 1.331 0.304 0 C-N-CA 121.103 -0.57 . . . . 53.13 112.489 176.327 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 41' ' ' ALA . . . . . 0.511 ' HB2' ' HG3' ' B' ' 15' ' ' ARG . . . -168.7 -176.26 2.69 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.88 0.371 . . . . 45.11 111.689 179.197 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -110.98 17.78 20.13 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 116.066 -0.515 . . . . 74.14 111.624 -174.798 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -79.11 -164.17 27.0 Favored Glycine 0 CA--C 1.52 0.406 0 C-N-CA 121.018 -0.61 . . . . 72.12 112.754 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 44' ' ' THR . . . . . 0.742 ' H ' ' HA ' ' B' ' 30' ' ' LEU . 25.7 m -93.1 136.96 32.88 Favored 'General case' 0 CA--C 1.533 0.315 0 O-C-N 122.859 -0.201 . . . . 35.03 110.827 -175.533 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 13.1 m120 -61.1 119.62 47.1 Favored Pre-proline 0 N--CA 1.466 0.334 0 O-C-N 122.968 0.168 . . . . 71.14 110.984 179.461 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 46' ' ' PRO . . . . . 0.598 ' HB3' ' SG ' ' A' ' 57' ' ' CYS . 72.3 Cg_exo -50.61 -40.17 55.46 Favored 'Trans proline' 0 C--N 1.349 0.57 0 C-N-CA 122.912 2.408 . . . . 54.41 112.051 174.341 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 47' ' ' GLU . . . . . 0.433 ' CD ' ' H ' ' B' ' 47' ' ' GLU . 2.0 mp0 -58.2 -49.75 75.94 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 121.548 0.689 . . . . 73.03 109.179 177.722 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 48' ' ' GLN . . . . . 0.451 ' OE1' ' HB2' ' A' ' 21' ' ' SER . 1.1 tm0? -62.85 -36.13 82.23 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 114.758 -1.11 . . . . 65.22 109.983 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 49' ' ' LEU . . . . . 0.56 HD12 ' HA3' ' A' ' 53' ' ' GLY . 2.7 tm? -61.43 -54.25 46.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.845 -0.616 . . . . 73.15 110.233 -178.21 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 30.7 t80 -63.2 -41.97 99.24 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 116.759 -0.201 . . . . 74.53 110.474 177.69 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -51.94 -52.99 46.35 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.166 -0.47 . . . . 63.22 110.791 176.886 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 52' ' ' ALA . . . . . 0.609 ' HB1' ' HB1' ' A' ' 19' ' ' ALA . . . -66.95 -41.7 86.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.713 -0.676 . . . . 74.31 110.877 -178.128 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 53' ' ' GLY . . . . . 0.414 ' HA3' HD12 ' A' ' 49' ' ' LEU . . . -60.35 -48.42 86.23 Favored Glycine 0 N--CA 1.451 -0.34 0 CA-C-N 115.764 -0.653 . . . . 73.22 112.256 179.084 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -69.98 -36.67 75.37 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 110.162 -0.31 . . . . 73.14 110.162 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 8.7 t -61.4 -49.8 75.42 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.138 0.494 . . . . 71.55 109.924 179.317 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 56' ' ' ALA . . . . . 0.47 ' HB1' HD21 ' A' ' 30' ' ' LEU . . . -69.38 -43.04 74.33 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 115.946 -0.57 . . . . 72.32 110.641 179.594 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 57' ' ' CYS . . . . . 0.909 ' HG ' ' HE2' ' B' ' 124' ' ' TYR . 38.6 t -60.65 -36.26 78.25 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 116.007 -0.542 . . . . 72.4 110.202 179.19 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 58' ' ' PHE . . . . . 0.833 ' HE2' ' HG ' ' B' ' 122' ' ' CYS . 41.0 t80 -65.81 -35.29 80.26 Favored 'General case' 0 N--CA 1.454 -0.268 0 N-CA-C 109.311 -0.626 . . . . 52.32 109.311 179.603 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 59' ' ' LEU . . . . . 0.595 ' O ' ' HG2' ' B' ' 63' ' ' LYS . 28.8 tp -71.41 -37.42 71.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.329 -0.85 . . . . 64.41 110.116 178.911 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 43.2 m -63.77 -45.26 90.59 Favored 'General case' 0 C--O 1.24 0.574 0 CA-C-O 121.397 0.618 . . . . 73.23 110.097 174.379 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 61' ' ' ALA . . . . . 0.457 ' O ' HG23 ' B' ' 65' ' ' VAL . . . -59.71 -37.4 78.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.883 -0.598 . . . . 44.1 109.573 174.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 62' ' ' MET . . . . . 0.431 ' HG3' ' CD1' ' B' ' 73' ' ' LEU . 4.5 tpt -62.78 -37.58 87.23 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-N 115.39 -0.823 . . . . 71.0 110.013 176.539 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 63' ' ' LYS . . . . . 0.595 ' HG2' ' O ' ' B' ' 59' ' ' LEU . 31.5 mmtp -58.64 -52.26 66.45 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-O 121.417 0.627 . . . . 72.03 109.315 174.683 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 61.0 t80 -61.77 -44.62 96.52 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 114.95 -1.023 . . . . 73.11 110.84 -176.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 65' ' ' VAL . . . . . 0.457 HG23 ' O ' ' B' ' 61' ' ' ALA . 54.8 t -55.98 -52.43 49.82 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 116.429 -0.35 . . . . 75.05 110.251 177.934 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -55.81 -34.03 64.96 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.137 0.494 . . . . 74.13 110.139 177.344 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -70.08 -31.5 69.39 Favored Glycine 0 N--CA 1.451 -0.341 0 CA-C-N 115.281 -0.872 . . . . 75.04 112.534 -176.577 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -94.5 -16.94 22.89 Favored 'General case' 0 CA--C 1.522 -0.12 0 N-CA-C 109.286 -0.635 . . . . 64.5 109.286 -179.01 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 -89.56 -1.89 58.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.183 -0.917 . . . . 65.21 110.541 177.711 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 10.6 mptt 61.98 24.3 14.44 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-N 115.927 -0.579 . . . . 73.12 111.462 177.824 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -115.12 163.37 15.72 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.698 -0.683 . . . . 74.24 110.017 178.892 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 24.4 p -125.96 136.62 53.22 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.357 -0.383 . . . . 74.12 110.432 -179.727 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 73' ' ' LEU . . . . . 0.431 ' CD1' ' HG3' ' B' ' 62' ' ' MET . 93.5 mt -109.36 144.97 30.88 Favored Pre-proline 0 C--N 1.326 -0.427 0 CA-C-N 115.943 -0.572 . . . . 75.15 110.312 -177.742 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 74' ' ' PRO . . . . . 0.547 ' HD2' HD11 ' B' ' 103' ' ' LEU . 39.9 Cg_exo -58.65 149.08 78.81 Favored 'Trans proline' 0 C--N 1.349 0.583 0 C-N-CA 122.794 2.329 . . . . 62.01 112.812 -179.51 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -76.24 -23.28 54.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.588 0.709 . . . . 71.53 110.818 178.532 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -80.9 19.01 0.9 Allowed 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 114.767 -1.106 . . . . 60.22 111.487 -172.791 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 77' ' ' THR . . . . . 0.42 ' HB ' HD12 ' B' ' 103' ' ' LEU . 8.8 t -92.86 157.54 16.33 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.058 0.456 . . . . 73.25 111.207 -176.696 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 57.6 m -152.95 151.02 29.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.898 -0.592 . . . . 71.23 110.266 -179.271 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 94.4 t -124.41 122.41 63.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 N-CA-C 109.032 -0.729 . . . . 54.24 109.032 175.083 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 80' ' ' THR . . . . . 0.561 ' HA ' ' HA ' ' A' ' 10' ' ' THR . 19.0 m -106.52 106.78 17.47 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-O 120.891 0.377 . . . . 72.42 111.118 -175.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -93.16 115.09 27.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.994 -0.548 . . . . 73.43 110.226 179.541 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 82' ' ' GLU . . . . . 0.448 ' HA ' ' HA ' ' A' ' 8' ' ' ALA . 36.1 tt0 -116.34 108.49 16.14 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.013 -0.736 . . . . 71.23 109.013 178.687 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 83' ' ' VAL . . . . . 0.493 HG12 HG13 ' B' ' 97' ' ' VAL . 23.7 m -107.41 150.73 9.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.163 -0.471 . . . . 71.44 110.942 -173.569 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 84' ' ' GLY . . . . . 0.442 ' HA2' ' HA ' ' A' ' 6' ' ' LYS . . . -143.04 164.86 27.11 Favored Glycine 0 N--CA 1.443 -0.874 0 CA-C-N 116.066 -0.516 . . . . 52.45 112.039 -179.416 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 85' ' ' ILE . . . . . 0.677 HD12 ' HG ' ' B' ' 36' ' ' LEU . 0.0 OUTLIER -136.3 130.91 48.19 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.778 0 N-CA-C 108.751 -0.833 . . . . 73.1 108.751 179.619 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 86' ' ' GLY . . . . . 0.405 ' HA2' ' HG ' ' A' ' 4' ' ' LEU . . . -141.54 169.72 25.04 Favored Glycine 0 N--CA 1.451 -0.324 0 CA-C-N 115.342 -0.844 . . . . 52.3 111.296 179.777 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 87' ' ' PRO . . . . . 0.701 ' HD3' ' HG ' ' A' ' 4' ' ' LEU . 3.4 Cg_exo -78.28 122.0 5.49 Favored 'Trans proline' 0 N--CA 1.457 -0.665 0 C-N-CA 122.759 2.306 . . . . 61.3 111.912 -177.786 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 88' ' ' ASN . . . . . . . . . . . . . 56.9 t-20 -69.14 136.7 52.57 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 108.532 -0.914 . . . . 72.3 108.532 174.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -61.95 -16.98 55.24 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.897 0.38 . . . . 65.22 111.198 -179.036 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -67.42 -20.63 65.55 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-O 121.475 0.655 . . . . 74.05 110.674 174.837 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.38 35.2 3.41 Favored Glycine 0 N--CA 1.453 -0.176 0 CA-C-N 115.628 -0.714 . . . . 72.2 111.75 -177.727 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . -140.67 -148.43 5.12 Favored Glycine 0 N--CA 1.452 -0.299 0 N-CA-C 110.789 -0.924 . . . . 70.13 110.789 177.715 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 93' ' ' PHE . . . . . 0.405 ' CD2' HD11 ' B' ' 85' ' ' ILE . 60.6 m-85 -118.82 154.74 32.37 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 117.081 0.441 . . . . 73.12 110.194 178.015 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -141.14 136.17 31.6 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.913 -0.585 . . . . 62.21 109.876 -178.117 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -99.95 132.47 45.28 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.154 -0.476 . . . . 74.21 110.844 -178.063 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 96' ' ' ASP . . . . . 0.5 ' HB3' HD11 ' A' ' 3' ' ' ILE . 31.3 t70 -119.09 115.88 25.2 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.131 -0.94 . . . . 73.53 109.509 179.354 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 97' ' ' VAL . . . . . 0.613 ' HB ' HG22 ' B' ' 134' ' ' VAL . 61.3 t -113.68 111.65 36.95 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-N 116.342 -0.39 . . . . 65.34 110.664 -176.196 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 98' ' ' GLU . . . . . 0.441 ' HG2' ' HB3' ' B' ' 135' ' ' ARG . 34.0 mt-10 -104.39 106.44 16.93 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.993 0.425 . . . . 74.42 109.975 178.575 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 96.3 mt -93.94 116.65 29.11 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 115.849 -0.614 . . . . 61.12 110.389 -177.42 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 100' ' ' ARG . . . . . 0.568 ' HA ' ' O ' ' B' ' 137' ' ' VAL . 79.7 mtt180 -99.45 129.38 45.63 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.108 -0.496 . . . . 64.11 110.128 -178.874 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 101' ' ' VAL . . . . . 0.453 HG21 HG22 ' B' ' 115' ' ' VAL . 73.0 t -110.31 111.32 35.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.415 -0.357 . . . . 60.12 110.927 -178.327 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -111.4 101.64 10.08 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.859 0.361 . . . . 53.32 110.395 177.509 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 103' ' ' LEU . . . . . 0.764 HD23 HD22 ' B' ' 106' ' ' LEU . 34.6 tp -114.47 119.19 40.4 Favored Pre-proline 0 C--N 1.328 -0.366 0 N-CA-C 109.024 -0.732 . . . . 72.24 109.024 177.403 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 104' ' ' PRO . . . . . 0.551 ' HD2' HD12 ' B' ' 103' ' ' LEU . 50.5 Cg_endo -70.78 147.98 57.45 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.552 2.168 . . . . 74.24 112.354 -177.369 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 105' ' ' GLY . . . . . . . . . . . . . . . 72.08 15.45 76.51 Favored Glycine 0 CA--C 1.521 0.418 0 CA-C-N 115.585 -0.734 . . . . 72.34 112.418 -178.475 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 106' ' ' LEU . . . . . 0.764 HD22 HD23 ' B' ' 103' ' ' LEU . 27.1 tp -121.49 146.68 46.68 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 122.787 0.435 . . . . 60.53 111.087 -177.105 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -91.46 148.97 21.92 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 115.909 -0.587 . . . . 63.12 110.745 173.632 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 108' ' ' ALA . . . . . 0.521 ' O ' ' HG3' ' B' ' 112' ' ' LYS . . . -63.35 -39.67 95.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 34.32 110.819 -178.362 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -55.62 -45.11 77.6 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 116.156 -0.474 . . . . 64.51 111.109 -179.233 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 110' ' ' ALA . . . . . 0.561 ' O ' HG22 ' B' ' 113' ' ' THR . . . -73.96 -39.23 63.86 Favored 'General case' 0 C--O 1.239 0.537 0 CA-C-O 121.316 0.579 . . . . 72.03 110.229 177.155 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 111' ' ' ALA . . . . . 0.453 ' O ' HG23 ' B' ' 115' ' ' VAL . . . -54.7 -36.38 64.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.584 -0.734 . . . . 64.14 110.675 179.155 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 112' ' ' LYS . . . . . 0.521 ' HG3' ' O ' ' B' ' 108' ' ' ALA . 62.6 mtpt -56.09 -44.19 78.75 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 115.874 -0.603 . . . . 74.45 111.284 178.77 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 113' ' ' THR . . . . . 0.561 HG22 ' O ' ' B' ' 110' ' ' ALA . 1.6 t -75.35 -35.7 61.11 Favored 'General case' 0 N--CA 1.462 0.162 0 N-CA-C 110.225 -0.287 . . . . 72.03 110.225 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 114' ' ' LEU . . . . . 0.453 ' HG ' ' O ' ' B' ' 110' ' ' ALA . 45.4 mt -61.11 -48.84 79.81 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.238 -0.437 . . . . 70.23 110.774 -179.81 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 115' ' ' VAL . . . . . 0.584 HG21 HG12 ' B' ' 138' ' ' VAL . 54.5 t -68.08 -36.14 74.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.192 -0.458 . . . . 63.55 110.415 179.585 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -55.8 -55.06 36.95 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-N 115.647 -0.706 . . . . 75.43 110.553 178.561 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 117' ' ' ARG . . . . . 0.482 ' HG2' ' O ' ' B' ' 113' ' ' THR . 15.8 ptm180 -70.72 -43.21 69.4 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 115.196 -0.911 . . . . 70.2 111.451 -176.549 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -64.67 -47.74 77.32 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 121.062 0.458 . . . . 61.11 111.273 -176.821 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 119' ' ' HIS . . . . . 0.665 ' HA ' ' SG ' ' B' ' 122' ' ' CYS . 43.1 t-80 -78.81 13.66 1.62 Allowed 'General case' 0 CA--C 1.533 0.324 0 CA-C-O 120.999 0.428 . . . . 74.31 110.884 -176.476 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 51.5 t-80 -97.68 -22.38 16.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.573 -0.285 . . . . 61.52 110.546 177.193 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 16.8 m -128.78 40.1 0.82 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.419 0 CA-C-N 116.22 -0.446 . . . . 63.42 110.977 -175.633 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 122' ' ' CYS . . . . . 0.833 ' HG ' ' HE2' ' B' ' 58' ' ' PHE . 35.5 m -65.23 152.86 90.82 Favored Pre-proline 0 CA--C 1.535 0.37 0 CA-C-N 115.601 -0.727 . . . . 74.53 111.369 -177.4 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 123' ' ' PRO . . . . . 0.405 ' HG2' ' HD2' ' B' ' 124' ' ' TYR . 17.1 Cg_endo -58.87 -42.71 49.92 Favored 'Trans proline' 0 C--N 1.355 0.88 0 C-N-CA 122.319 2.013 . . . . 65.25 110.379 171.547 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 124' ' ' TYR . . . . . 0.909 ' HE2' ' HG ' ' B' ' 57' ' ' CYS . 3.8 m-85 -75.86 111.33 11.11 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 106.714 -1.587 . . . . 65.35 106.714 169.564 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 125' ' ' SER . . . . . 0.447 ' HB3' ' OD1' ' A' ' 131' ' ' ASN . 26.1 t -49.52 166.93 0.05 OUTLIER 'General case' 0 CA--C 1.54 0.57 0 N-CA-C 114.787 1.403 . . . . 64.23 114.787 -160.84 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 126' ' ' ASN . . . . . 0.541 ' O ' ' HG2' ' B' ' 129' ' ' ARG . 25.3 t-20 -51.11 -31.71 20.2 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 114.066 -1.425 . . . . 74.24 112.366 -172.161 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 127' ' ' ALA . . . . . 0.609 ' O ' ' HB3' ' B' ' 131' ' ' ASN . . . -64.57 6.85 0.18 Allowed 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 122.906 0.483 . . . . 65.3 111.999 179.38 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 128' ' ' THR . . . . . 0.478 ' H ' ' C ' ' B' ' 126' ' ' ASN . 7.5 t -92.4 1.46 57.23 Favored 'General case' 0 N--CA 1.449 -0.482 0 N-CA-C 108.555 -0.905 . . . . 55.14 108.555 -173.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 129' ' ' ARG . . . . . 0.541 ' HG2' ' O ' ' B' ' 126' ' ' ASN . 15.8 ptm180 -130.76 -47.46 1.04 Allowed 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 115.306 -0.861 . . . . 75.21 112.054 -177.388 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 130' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -78.38 -50.15 12.26 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-O 121.117 0.484 . . . . 74.14 111.001 177.34 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 131' ' ' ASN . . . . . 0.609 ' HB3' ' O ' ' B' ' 127' ' ' ALA . 48.0 t-20 -69.44 -43.8 72.58 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 115.384 -0.825 . . . . 75.43 110.407 -176.451 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 132' ' ' VAL . . . . . . . . . . . . . 41.8 t -99.23 131.43 46.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.767 -0.652 . . . . 52.13 110.039 179.446 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 133' ' ' ALA . . . . . . . . . . . . . . . -65.62 97.57 0.32 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.286 0.565 . . . . 72.23 110.627 -179.802 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 134' ' ' VAL . . . . . 0.613 HG22 ' HB ' ' B' ' 97' ' ' VAL . 94.6 t -123.61 118.35 54.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.425 -0.807 . . . . 61.1 110.77 -179.089 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 135' ' ' ARG . . . . . 0.441 ' HB3' ' HG2' ' B' ' 98' ' ' GLU . 18.5 tpp180 -86.2 119.28 26.31 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.771 -0.65 . . . . 74.32 109.485 176.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 136' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' B' ' 136' ' ' LEU . 68.2 mt -91.0 108.22 19.72 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-O 121.238 0.542 . . . . 72.41 110.136 176.029 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 137' ' ' VAL . . . . . 0.568 ' O ' ' HA ' ' B' ' 100' ' ' ARG . 0.2 OUTLIER -118.11 116.58 51.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-N 115.12 -0.945 . . . . 72.22 110.624 -176.621 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 138' ' ' VAL . . . . . 0.584 HG12 HG21 ' B' ' 115' ' ' VAL . 3.1 m -96.66 138.67 21.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.406 -0.815 . . . . 70.52 110.015 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 139' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.234 0 CA-C-O 118.405 -0.807 . . . . 71.35 110.861 -177.379 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.414 ' HE1' ' HB3' ' B' ' 94' ' ' ALA . 12.9 ptt? . . . . . 0 N--CA 1.482 1.128 0 CA-C-O 120.763 0.316 . . . . 71.43 110.874 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 42.8 t30 -71.61 79.0 0.81 Allowed 'General case' 0 CA--C 1.531 0.219 0 CA-C-N 115.894 -0.594 . . . . 75.52 110.681 177.671 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.519 HG21 ' HB2' ' A' ' 6' ' ' LYS . 34.2 mm -75.55 137.57 22.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.732 -0.667 . . . . 51.02 111.478 175.739 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.678 ' HG ' ' HD3' ' B' ' 87' ' ' PRO . 76.3 mt -96.26 -45.72 6.72 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.591 -0.731 . . . . 74.21 110.238 174.786 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 16.6 t80 -131.95 125.37 31.44 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 116.25 -0.432 . . . . 54.43 109.893 -177.805 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.519 ' HB2' HG21 ' A' ' 3' ' ' ILE . 32.0 ttmt -137.28 133.36 34.92 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 121.005 0.431 . . . . 62.42 111.258 177.781 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 7.7 t -134.78 148.63 50.27 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-N 115.708 -0.678 . . . . 73.02 109.867 -179.44 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.525 ' HA ' ' HA ' ' B' ' 82' ' ' GLU . . . -114.02 150.53 33.77 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-O 121.096 0.475 . . . . 64.34 111.277 -177.189 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.414 ' HA ' ' HA ' ' A' ' 21' ' ' SER . . . -135.45 121.3 19.76 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.931 -0.577 . . . . 65.14 110.001 175.608 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 88.3 m -98.21 128.07 44.48 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.895 -0.593 . . . . 73.43 110.095 -176.543 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.583 ' HA ' ' O ' ' A' ' 18' ' ' ARG . 97.3 p -112.11 120.62 42.45 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.846 0.355 . . . . 71.32 110.93 178.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 6.1 m -99.55 162.67 12.89 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.417 -0.356 . . . . 72.12 110.398 179.68 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -83.73 74.39 2.52 Favored Glycine 0 CA--C 1.52 0.402 0 C-N-CA 121.067 -0.587 . . . . 62.44 112.637 176.721 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -72.75 -145.54 0.64 Allowed Glycine 0 CA--C 1.525 0.657 0 C-N-CA 121.19 -0.528 . . . . 62.02 112.859 173.387 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 13.8 tpt180 -48.48 -52.27 23.11 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-O 121.002 0.43 . . . . 73.04 110.131 178.004 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.597 ' HB3' ' HA ' ' A' ' 31' ' ' SER . 21.5 t70 -125.52 -42.46 1.95 Allowed 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.006 -1.109 . . . . 74.22 108.006 168.282 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -161.36 162.66 33.98 Favored Glycine 0 N--CA 1.441 -0.98 0 CA-C-N 114.815 -1.084 . . . . 73.12 111.071 171.899 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.613 ' HA ' ' HA ' ' A' ' 29' ' ' LYS . 4.3 ttm180 -133.56 124.4 26.84 Favored 'General case' 0 C--N 1.315 -0.894 0 N-CA-C 108.783 -0.821 . . . . 73.24 108.783 177.192 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -111.23 123.69 50.71 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.879 0.371 . . . . 71.12 110.146 -176.425 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 92.8 m -136.75 111.56 8.8 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.477 -0.329 . . . . 63.53 110.143 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.543 ' HB3' ' N ' ' A' ' 26' ' ' LEU . 29.8 t -67.03 109.14 2.88 Favored 'General case' 0 C--O 1.246 0.9 0 N-CA-C 107.229 -1.397 . . . . 62.3 107.229 176.186 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.413 ' C ' ' H ' ' A' ' 24' ' ' GLN . 11.1 t60 -56.88 -24.53 52.43 Favored 'General case' 0 CA--C 1.52 -0.201 0 O-C-N 126.065 2.103 . . . . 71.44 111.87 -164.78 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -80.49 23.13 0.52 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.215 -0.448 . . . . 73.43 110.188 179.482 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.413 ' H ' ' C ' ' A' ' 22' ' ' HIS . 30.8 mm-40 63.67 21.14 12.57 Favored 'General case' 0 C--N 1.341 0.222 0 C-N-CA 123.485 0.714 . . . . 72.53 110.404 178.631 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.457 ' HB2' ' OG ' ' A' ' 21' ' ' SER . 73.1 mmtt -83.54 -30.14 27.32 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 115.325 -0.852 . . . . 73.44 110.163 -179.024 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.543 ' N ' ' HB3' ' A' ' 21' ' ' SER . 44.6 tp -151.71 148.93 28.49 Favored 'General case' 0 CA--C 1.508 -0.669 0 C-N-CA 120.378 -0.529 . . . . 74.42 111.447 -178.353 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -158.27 94.95 1.33 Allowed 'General case' 0 N--CA 1.444 -0.746 0 CA-C-N 115.489 -0.778 . . . . 74.13 110.475 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.404 ' O ' ' HG2' ' A' ' 18' ' ' ARG . 3.4 m -146.36 177.96 1.26 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.431 0 CA-C-N 115.567 -0.742 . . . . 62.12 111.253 177.616 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.613 ' HA ' ' HA ' ' A' ' 18' ' ' ARG . 0.7 OUTLIER -133.05 145.36 50.72 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.489 -0.778 . . . . 62.42 109.832 179.112 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.68 ' HB3' ' HB ' ' A' ' 44' ' ' THR . 0.0 OUTLIER -126.83 164.84 20.5 Favored 'General case' 0 C--O 1.249 1.058 0 CA-C-O 121.172 0.511 . . . . 64.12 111.118 -179.473 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.597 ' HA ' ' HB3' ' A' ' 16' ' ' ASP . 20.0 p -169.53 113.94 0.53 Allowed 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 115.063 -0.972 . . . . 75.34 110.746 -172.335 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -69.33 131.7 90.12 Favored Pre-proline 0 C--O 1.238 0.498 0 CA-C-N 115.777 -0.647 . . . . 52.21 110.196 178.093 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_exo -52.01 148.24 24.16 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 122.655 2.237 . . . . 73.33 112.178 177.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 9.5 mmt180 -66.66 -1.48 3.8 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 116.213 -0.449 . . . . 50.12 111.3 179.727 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 32.1 mm-40 -59.12 -32.32 69.74 Favored 'General case' 0 CA--C 1.529 0.153 0 O-C-N 123.23 0.331 . . . . 75.14 111.057 178.375 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.469 HD22 ' N ' ' A' ' 36' ' ' LEU . 2.1 mm? -100.39 4.2 43.71 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 121.073 0.463 . . . . 63.44 109.953 177.591 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 80.28 34.43 29.39 Favored Glycine 0 N--CA 1.45 -0.376 0 N-CA-C 111.565 -0.614 . . . . 72.22 111.565 -173.065 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -84.4 -113.13 0.64 Allowed Glycine 0 C--N 1.334 0.441 0 C-N-CA 121.253 -0.499 . . . . 73.44 112.787 -177.249 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -106.04 -48.69 3.55 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.958 0.409 . . . . 63.22 110.793 -178.113 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 101.77 80.41 1.48 Allowed Glycine 0 N--CA 1.452 -0.263 0 CA-C-N 115.857 -0.611 . . . . 45.53 111.884 -177.539 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -175.31 163.19 3.03 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 122.782 0.433 . . . . 44.21 109.859 -177.282 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.47 ' HG3' ' N ' ' A' ' 43' ' ' GLY . 17.3 pt-20 -68.99 -47.2 66.14 Favored 'General case' 0 CA--C 1.508 -0.642 0 CA-C-O 122.238 1.018 . . . . 71.23 109.831 177.174 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.47 ' N ' ' HG3' ' A' ' 42' ' ' GLU . . . 23.71 -142.24 0.01 OUTLIER Glycine 0 C--N 1.296 -1.668 0 CA-C-N 111.419 -2.628 . . . . 55.55 114.715 -178.535 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.68 ' HB ' ' HB3' ' A' ' 30' ' ' LEU . 87.6 m -128.81 150.93 50.1 Favored 'General case' 0 N--CA 1.446 -0.634 0 N-CA-C 108.744 -0.836 . . . . 74.01 108.744 171.294 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.425 ' HB2' ' HB3' ' A' ' 48' ' ' GLN . 6.2 m120 -95.14 131.14 30.65 Favored Pre-proline 0 CA--C 1.534 0.349 0 C-N-CA 122.26 0.224 . . . . 72.33 111.042 -177.923 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 45' ' ' ASN . 52.8 Cg_exo -57.64 -53.72 4.22 Favored 'Trans proline' 0 C--N 1.352 0.715 0 C-N-CA 123.093 2.529 . . . . 63.04 113.155 177.825 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.75 -44.2 97.01 Favored 'General case' 0 N--CA 1.469 0.524 0 N-CA-C 109.876 -0.416 . . . . 62.13 109.876 -179.455 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.607 ' OE1' ' HB2' ' B' ' 21' ' ' SER . 0.7 OUTLIER -53.12 -45.85 68.5 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.686 -0.688 . . . . 72.35 110.608 171.91 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.58 HD12 ' HA3' ' B' ' 53' ' ' GLY . 2.3 tm? -57.26 -50.11 73.93 Favored 'General case' 0 C--O 1.241 0.611 0 CA-C-N 115.643 -0.708 . . . . 71.11 109.36 -175.608 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 84.0 t80 -59.43 -50.7 72.91 Favored 'General case' 0 C--O 1.222 -0.372 0 CA-C-N 115.804 -0.635 . . . . 64.45 110.372 175.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.11 -45.56 75.52 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 116.442 -0.345 . . . . 52.03 111.734 -176.891 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -68.93 -49.3 59.24 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-O 121.035 0.445 . . . . 51.43 110.946 -177.716 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.62 ' HA3' HD12 ' B' ' 49' ' ' LEU . . . -64.08 -28.65 73.15 Favored Glycine 0 C--N 1.332 0.338 0 C-N-CA 120.538 -0.839 . . . . 45.35 111.808 178.504 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.777 ' HA ' ' SG ' ' A' ' 57' ' ' CYS . 1.4 t80 -74.85 -47.88 27.96 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 123.221 0.608 . . . . 71.4 110.444 179.589 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.586 ' HB3' ' HB2' ' A' ' 81' ' ' ALA . 45.7 p -62.06 -36.79 82.7 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.196 0.522 . . . . 50.31 109.82 178.407 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.563 ' HB1' HD21 ' B' ' 30' ' ' LEU . . . -69.83 -49.33 53.64 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-N 115.629 -0.714 . . . . 72.41 111.101 177.475 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.777 ' SG ' ' HA ' ' A' ' 54' ' ' TYR . 21.1 p -61.84 -35.96 79.8 Favored 'General case' 0 C--O 1.223 -0.32 0 N-CA-C 110.042 -0.355 . . . . 74.4 110.042 179.477 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 48.7 t80 -52.61 -44.29 65.92 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 115.823 -0.626 . . . . 64.12 109.621 177.308 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.537 HD21 HG23 ' A' ' 79' ' ' VAL . 94.2 mt -64.77 -46.74 80.85 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.394 -0.821 . . . . 74.12 110.524 176.548 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 35.0 t -55.17 -51.45 66.47 Favored 'General case' 0 C--O 1.238 0.495 0 CA-C-O 121.347 0.594 . . . . 74.4 110.437 179.244 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.424 ' O ' HG23 ' A' ' 65' ' ' VAL . . . -58.92 -39.61 82.07 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.722 -0.672 . . . . 64.15 110.1 177.461 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 2.9 tpt -60.51 -38.24 83.72 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-N 115.989 -0.55 . . . . 61.32 110.387 177.203 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.532 ' NZ ' ' HA ' ' B' ' 16' ' ' ASP . 2.4 mptm? -61.61 -51.91 66.54 Favored 'General case' 0 N--CA 1.468 0.434 0 N-CA-C 109.888 -0.412 . . . . 62.32 109.888 175.373 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 53.7 t80 -58.79 -44.86 90.82 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 115.905 -0.589 . . . . 70.35 110.738 -178.716 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.424 HG23 ' O ' ' A' ' 61' ' ' ALA . 54.9 t -56.83 -49.7 77.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.164 -0.471 . . . . 51.41 110.172 177.421 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -57.92 -32.65 67.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.073 0.463 . . . . 55.45 110.48 177.825 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -68.59 -32.22 74.55 Favored Glycine 0 N--CA 1.451 -0.332 0 CA-C-N 115.23 -0.896 . . . . 65.01 111.929 -177.326 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -97.96 -13.13 21.31 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.46 -0.57 . . . . 73.33 109.46 -179.386 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -95.4 -0.8 52.12 Favored 'General case' 0 CA--C 1.517 -0.306 0 CA-C-N 115.351 -0.841 . . . . 73.35 110.909 176.832 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 23.1 mmtm 61.3 24.54 14.63 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.455 -0.793 . . . . 70.5 111.118 171.722 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -116.6 163.98 15.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.3 -0.409 . . . . 65.11 110.542 -176.628 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 29.8 p -110.84 134.31 52.64 Favored 'General case' 0 C--O 1.237 0.422 0 CA-C-O 121.159 0.504 . . . . 71.13 111.89 -174.83 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 71.0 mt -109.58 140.4 22.1 Favored Pre-proline 0 C--N 1.327 -0.383 0 CA-C-N 115.53 -0.759 . . . . 63.13 110.429 176.674 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.547 ' HD2' HD11 ' A' ' 103' ' ' LEU . 23.3 Cg_exo -66.3 132.65 30.15 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.365 2.044 . . . . 75.32 111.21 173.451 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -77.03 -8.44 57.43 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 112.246 0.461 . . . . 74.43 112.246 -175.796 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -90.56 11.98 20.23 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.25 0.548 . . . . 72.44 111.276 -177.429 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.515 ' HB ' HD12 ' A' ' 103' ' ' LEU . 8.3 t -73.58 160.62 31.37 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.011 -0.54 . . . . 73.42 111.514 -178.349 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.551 HG22 ' HA ' ' B' ' 12' ' ' THR . 1.3 p -151.75 150.17 29.88 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.626 -0.716 . . . . 65.01 111.245 -174.815 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.537 HG23 HD21 ' A' ' 59' ' ' LEU . 97.8 t -133.54 135.08 56.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.679 -0.691 . . . . 73.54 109.185 174.885 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 25.5 m -117.88 109.42 16.51 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.682 0.277 . . . . 61.0 110.472 179.58 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.586 ' HB2' ' HB3' ' A' ' 55' ' ' SER . . . -94.73 108.95 20.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 75.0 109.919 178.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.442 ' HA ' ' HA ' ' B' ' 8' ' ' ALA . 24.6 tt0 -105.9 107.67 18.79 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.134 -0.691 . . . . 74.0 109.134 178.712 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.68 HG23 HG22 ' A' ' 97' ' ' VAL . 6.0 p -107.51 137.46 38.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.971 -0.559 . . . . 74.25 111.165 -172.272 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.447 ' HA2' ' HA ' ' B' ' 6' ' ' LYS . . . -134.02 162.2 24.46 Favored Glycine 0 N--CA 1.445 -0.754 0 C-N-CA 121.174 -0.536 . . . . 64.22 112.465 178.353 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -133.44 134.13 57.17 Favored 'Isoleucine or valine' 0 C--O 1.24 0.601 0 N-CA-C 109.132 -0.692 . . . . 71.32 109.132 179.155 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -155.35 169.85 33.33 Favored Glycine 0 N--CA 1.452 -0.27 0 N-CA-C 111.119 -0.792 . . . . 64.2 111.119 178.654 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.478 ' HD3' ' HG ' ' B' ' 4' ' ' LEU . 51.8 Cg_endo -71.08 132.61 21.54 Favored 'Trans proline' 0 N--CA 1.459 -0.542 0 C-N-CA 122.034 1.822 . . . . 75.13 111.518 177.923 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ASN . . . . . 0.454 ' HB2' ' HB2' ' A' ' 94' ' ' ALA . 51.9 t30 -78.82 158.74 28.1 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.452 -0.794 . . . . 63.43 109.618 -179.467 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -59.38 -25.25 64.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.038 0.447 . . . . 74.31 110.824 178.632 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -70.0 -22.36 63.13 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 115.821 -0.627 . . . . 62.35 111.003 177.052 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.54 3.43 43.64 Favored Glycine 0 CA--C 1.519 0.322 0 CA-C-N 115.898 -0.592 . . . . 52.42 112.489 -177.172 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -97.23 -148.96 24.81 Favored Glycine 0 C--N 1.332 0.359 0 N-CA-C 111.176 -0.77 . . . . 74.12 111.176 174.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 55.1 m-85 -111.19 160.48 16.9 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-N 117.07 0.435 . . . . 72.25 109.921 176.343 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.454 ' HB2' ' HB2' ' A' ' 88' ' ' ASN . . . -152.86 145.22 24.02 Favored 'General case' 0 C--O 1.238 0.448 0 CA-C-O 120.703 0.287 . . . . 73.43 110.881 -177.315 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -103.5 138.46 40.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.619 -0.719 . . . . 75.45 110.105 178.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.627 ' HB3' HD11 ' B' ' 3' ' ' ILE . 35.5 t70 -133.82 110.61 9.88 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.364 -0.835 . . . . 62.1 109.114 -177.236 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.68 HG22 HG23 ' A' ' 83' ' ' VAL . 22.7 t -122.27 110.81 28.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 N-CA-C 112.216 0.451 . . . . 41.42 112.216 -171.698 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -79.22 103.09 8.91 Favored 'General case' 0 C--O 1.236 0.346 0 N-CA-C 109.01 -0.737 . . . . 51.52 109.01 170.617 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 21.3 tp -94.08 107.0 18.96 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.243 -0.651 . . . . 73.33 109.243 -179.806 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.587 ' HA ' ' O ' ' A' ' 137' ' ' VAL . 58.6 mtt180 -99.59 118.99 37.35 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.834 -0.621 . . . . 73.43 110.354 -174.357 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 48.5 t -107.72 105.31 18.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 N-CA-C 110.258 -0.275 . . . . 72.23 110.258 -177.785 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -106.5 101.63 11.08 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.941 0.4 . . . . 73.1 110.889 -178.669 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.725 HD23 HD22 ' A' ' 106' ' ' LEU . 37.4 tp -109.74 123.18 37.06 Favored Pre-proline 0 C--N 1.327 -0.371 0 N-CA-C 108.943 -0.762 . . . . 73.31 108.943 177.654 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' PRO . . . . . 0.559 ' HD2' HD12 ' A' ' 103' ' ' LEU . 57.3 Cg_endo -71.19 146.84 52.47 Favored 'Trans proline' 0 N--CA 1.461 -0.441 0 C-N-CA 122.266 1.978 . . . . 73.52 112.209 -177.3 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 69.03 14.91 68.88 Favored Glycine 0 CA--C 1.519 0.31 0 CA-C-N 115.304 -0.862 . . . . 54.45 112.73 -178.019 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.725 HD22 HD23 ' A' ' 103' ' ' LEU . 33.3 tp -114.15 141.68 47.2 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-O 121.172 0.51 . . . . 65.03 111.24 -178.346 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 33.9 m-20 -84.27 146.44 27.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.517 -0.765 . . . . 72.42 110.486 172.678 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.446 ' O ' ' HG3' ' A' ' 112' ' ' LYS . . . -63.47 -35.16 79.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.982 0.42 . . . . 74.35 110.491 178.385 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -56.89 -49.78 74.5 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.865 -0.607 . . . . 64.13 110.826 179.257 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.514 ' O ' HG22 ' A' ' 113' ' ' THR . . . -73.45 -35.09 65.7 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-O 121.168 0.508 . . . . 73.25 110.162 177.798 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -55.08 -36.21 65.38 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.684 -0.689 . . . . 54.13 110.682 178.549 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.446 ' HG3' ' O ' ' A' ' 108' ' ' ALA . 98.7 mttt -53.71 -43.87 69.37 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 116.114 -0.494 . . . . 74.23 111.221 177.531 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 113' ' ' THR . . . . . 0.514 HG22 ' O ' ' A' ' 110' ' ' ALA . 1.2 t -80.11 -35.3 37.02 Favored 'General case' 0 CA--C 1.529 0.141 0 CA-C-O 120.643 0.259 . . . . 74.22 110.309 -177.435 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 44.1 mt -64.48 -45.45 87.28 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-O 120.852 0.358 . . . . 61.01 110.353 -179.64 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.524 HG21 HG12 ' A' ' 138' ' ' VAL . 92.3 t -68.01 -32.7 57.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.99 -0.55 . . . . 72.22 110.054 176.79 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 116' ' ' ASP . . . . . 0.439 ' HA ' ' CE1' ' A' ' 119' ' ' HIS . 13.4 t70 -58.55 -61.49 2.55 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.449 -0.341 . . . . 63.5 110.514 177.548 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 117' ' ' ARG . . . . . 0.446 ' HG2' ' O ' ' A' ' 113' ' ' THR . 15.5 ptm180 -61.18 -41.38 96.69 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-N 115.524 -0.762 . . . . 65.24 110.759 -178.594 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -59.54 -41.78 90.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.998 -0.546 . . . . 63.41 111.1 179.013 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' HIS . . . . . 0.558 ' HB2' ' HB2' ' A' ' 125' ' ' SER . 3.0 p-80 -89.54 13.47 13.85 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-O 121.069 0.461 . . . . 74.13 110.861 178.935 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 54.8 t-80 -108.55 -34.8 6.63 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 116.007 -0.542 . . . . 75.14 110.57 174.314 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.426 HG23 ' SG ' ' A' ' 122' ' ' CYS . 35.3 m -77.36 -32.99 19.23 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.24 0 CA-C-N 116.119 -0.491 . . . . 74.54 112.094 -176.168 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 122' ' ' CYS . . . . . 0.546 ' HB2' ' OG ' ' A' ' 125' ' ' SER . 33.3 m -91.82 131.12 36.38 Favored Pre-proline 0 CA--C 1.535 0.378 0 CA-C-O 120.516 0.198 . . . . 72.12 110.846 -176.12 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -59.86 -37.82 83.64 Favored 'Trans proline' 0 C--N 1.352 0.72 0 C-N-CA 122.412 2.075 . . . . 74.45 111.744 179.536 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 124' ' ' TYR . . . . . 0.416 ' HE1' ' CG ' ' B' ' 50' ' ' PHE . 92.3 m-85 -61.34 -34.19 74.86 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 115.937 -0.574 . . . . 65.44 110.727 179.596 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 125' ' ' SER . . . . . 0.558 ' HB2' ' HB2' ' A' ' 119' ' ' HIS . 29.4 p -89.0 -24.59 22.34 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.109 -0.496 . . . . 62.44 111.244 -176.01 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 126' ' ' ASN . . . . . 0.545 ' O ' ' HG2' ' A' ' 129' ' ' ARG . 80.4 m-20 -66.53 -31.63 72.48 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.734 0.778 . . . . 73.42 109.067 168.842 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 127' ' ' ALA . . . . . 0.691 ' HB2' ' HB2' ' B' ' 127' ' ' ALA . . . -71.32 -17.33 62.45 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.03 -0.986 . . . . 54.1 110.979 174.507 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 128' ' ' THR . . . . . 0.604 ' OG1' HG21 ' A' ' 134' ' ' VAL . 0.5 OUTLIER -87.96 -5.88 58.31 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.643 0.735 . . . . 73.21 109.272 -170.088 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 129' ' ' ARG . . . . . 0.545 ' HG2' ' O ' ' A' ' 126' ' ' ASN . 13.5 ptm180 -119.72 -60.03 1.75 Allowed 'General case' 0 N--CA 1.444 -0.746 0 CA-C-N 115.13 -0.941 . . . . 72.04 110.288 -172.181 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 88.3 m-20 -79.28 -24.69 42.74 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.242 -0.436 . . . . 71.52 111.964 -176.324 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 131' ' ' ASN . . . . . 0.488 ' HB3' ' O ' ' A' ' 127' ' ' ALA . 0.2 OUTLIER -103.93 -42.08 5.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 72.12 110.934 -174.476 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 29.2 t -120.87 158.52 23.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.278 -0.419 . . . . 70.22 110.467 -169.665 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -93.52 97.54 10.59 Favored 'General case' 0 C--O 1.238 0.482 0 CA-C-O 121.692 0.758 . . . . 45.42 110.391 178.568 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 134' ' ' VAL . . . . . 0.623 HG22 ' HB ' ' A' ' 97' ' ' VAL . 84.9 t -125.62 116.38 46.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.307 -0.861 . . . . 75.02 110.543 -178.171 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 135' ' ' ARG . . . . . 0.416 HH11 ' HD3' ' A' ' 135' ' ' ARG . 6.6 tpt180 -76.76 105.0 7.57 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 115.726 -0.67 . . . . 72.41 109.697 178.395 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 43.5 mt -75.38 103.37 5.49 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.281 0.562 . . . . 50.04 110.51 177.765 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 137' ' ' VAL . . . . . 0.587 ' O ' ' HA ' ' A' ' 100' ' ' ARG . 0.2 OUTLIER -113.9 114.61 47.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 115.096 -0.956 . . . . 74.42 109.767 -178.995 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 138' ' ' VAL . . . . . 0.524 HG12 HG21 ' A' ' 115' ' ' VAL . 3.3 m -94.78 138.95 19.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 115.678 -0.692 . . . . 53.11 109.72 -177.378 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.315 -0.907 0 CA-C-N 115.805 -0.634 . . . . 73.13 110.755 -175.701 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.513 ' SD ' ' HB2' ' A' ' 96' ' ' ASP . 27.1 ptm . . . . . 0 C--O 1.234 0.28 0 CA-C-O 120.96 0.41 . . . . 72.42 110.714 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 19.0 t30 -99.38 85.47 3.18 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.612 -0.722 . . . . 61.35 109.732 -179.442 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 3' ' ' ILE . . . . . 0.627 HD11 ' HB3' ' A' ' 96' ' ' ASP . 31.6 mm -68.37 135.27 28.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 115.176 -0.92 . . . . 72.42 112.564 -177.769 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.478 ' HG ' ' HD3' ' A' ' 87' ' ' PRO . 92.1 mt -85.02 -45.06 12.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.599 -0.728 . . . . 75.25 110.128 174.546 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 5' ' ' TYR . . . . . . . . . . . . . 42.9 t80 -140.86 129.65 22.99 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 116.514 -0.312 . . . . 75.45 110.736 -178.073 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 6' ' ' LYS . . . . . 0.571 ' HB2' HG21 ' B' ' 3' ' ' ILE . 35.2 ttmt -137.28 136.87 38.42 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-O 120.971 0.415 . . . . 65.01 110.781 178.576 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 9.0 t -131.39 148.11 52.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.944 -0.571 . . . . 72.52 109.942 179.68 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 8' ' ' ALA . . . . . 0.442 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . . . -107.04 144.05 34.26 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-O 120.904 0.383 . . . . 64.22 111.107 -176.606 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 9' ' ' ALA . . . . . 0.478 ' HA ' ' HA ' ' B' ' 21' ' ' SER . . . -130.4 122.06 27.08 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.132 -0.485 . . . . 31.45 110.284 177.103 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 8.9 t -100.46 125.32 46.75 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.335 -0.393 . . . . 64.31 110.182 179.336 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 11' ' ' SER . . . . . 0.578 ' HA ' ' O ' ' B' ' 18' ' ' ARG . 13.5 p -124.36 119.51 29.45 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.823 0.344 . . . . 74.14 110.961 -179.877 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 12' ' ' THR . . . . . 0.551 ' HA ' HG22 ' A' ' 78' ' ' THR . 4.0 m -86.92 165.74 15.67 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.928 -0.578 . . . . 53.42 109.76 175.888 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -78.47 -1.92 83.27 Favored Glycine 0 N--CA 1.449 -0.493 0 CA-C-O 119.114 -0.826 . . . . 71.12 113.866 -178.579 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 28.81 -140.84 0.01 OUTLIER Glycine 0 C--N 1.348 1.216 0 O-C-N 124.074 0.514 . . . . 73.4 113.244 -174.474 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 94.7 mtt180 -67.65 -47.73 68.69 Favored 'General case' 0 C--O 1.234 0.24 0 N-CA-C 107.025 -1.472 . . . . 65.14 107.025 159.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 16' ' ' ASP . . . . . 0.565 ' HB3' ' HA ' ' B' ' 31' ' ' SER . 25.5 t0 -125.75 -43.1 1.88 Allowed 'General case' 0 C--O 1.235 0.307 0 CA-C-N 114.684 -1.144 . . . . 65.33 111.068 177.624 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 17' ' ' GLY . . . . . 0.43 ' O ' ' HG3' ' B' ' 29' ' ' LYS . . . -167.4 159.92 33.4 Favored Glycine 0 C--N 1.341 0.834 0 C-N-CA 119.606 -1.283 . . . . 74.22 112.578 170.136 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 18' ' ' ARG . . . . . 0.659 ' HA ' ' HA ' ' B' ' 29' ' ' LYS . 5.2 tmm_? -145.67 100.87 3.49 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 108.702 -0.851 . . . . 74.4 108.702 179.116 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 19' ' ' ALA . . . . . 0.434 ' HB2' ' HB2' ' A' ' 56' ' ' ALA . . . -102.43 124.06 47.32 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.88 0.372 . . . . 64.21 111.093 -171.699 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 91.6 m -134.56 116.17 14.73 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.936 -0.574 . . . . 75.11 110.091 178.6 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 21' ' ' SER . . . . . 0.607 ' HB2' ' OE1' ' A' ' 48' ' ' GLN . 30.0 t -76.61 112.72 13.47 Favored 'General case' 0 C--O 1.246 0.903 0 N-CA-C 107.965 -1.124 . . . . 74.21 107.965 175.115 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 22' ' ' HIS . . . . . 0.442 ' C ' ' H ' ' B' ' 24' ' ' GLN . 49.1 t-80 -55.5 -27.71 50.2 Favored 'General case' 0 C--N 1.344 0.339 0 O-C-N 126.484 2.365 . . . . 73.12 112.307 -169.405 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 41.3 t0 -80.61 18.44 0.95 Allowed 'General case' 0 CA--C 1.536 0.412 0 CA-C-O 121.67 0.748 . . . . 63.54 109.419 178.837 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 24' ' ' GLN . . . . . 0.442 ' H ' ' C ' ' B' ' 22' ' ' HIS . 31.0 mm-40 66.45 22.86 10.64 Favored 'General case' 0 CA--C 1.52 -0.179 0 CA-C-N 114.608 -1.178 . . . . 71.43 110.295 176.689 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -80.55 -26.08 38.22 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.482 -0.781 . . . . 41.25 109.889 176.794 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 26' ' ' LEU . . . . . 0.542 ' N ' ' HB3' ' B' ' 21' ' ' SER . 55.7 tp -152.35 150.1 29.35 Favored 'General case' 0 C--N 1.344 0.33 0 C-N-CA 119.85 -0.74 . . . . 71.52 111.512 -177.892 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -162.33 91.01 0.76 Allowed 'General case' 0 N--CA 1.467 0.377 0 O-C-N 123.602 0.564 . . . . 53.33 110.675 175.422 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 28' ' ' VAL . . . . . 0.463 HG22 HD11 ' B' ' 26' ' ' LEU . 3.7 m -150.8 178.16 0.6 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.681 0 CA-C-O 121.22 0.533 . . . . 74.12 111.647 178.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.659 ' HA ' ' HA ' ' B' ' 18' ' ' ARG . 13.7 ttmt -128.34 145.61 51.02 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.381 -0.827 . . . . 64.31 109.801 177.316 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 30' ' ' LEU . . . . . 0.878 ' HA ' ' H ' ' B' ' 44' ' ' THR . 0.0 OUTLIER -128.79 157.86 40.29 Favored 'General case' 0 C--O 1.26 1.646 0 CA-C-O 121.567 0.699 . . . . 72.32 111.41 179.066 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 31' ' ' SER . . . . . 0.565 ' HA ' ' HB3' ' B' ' 16' ' ' ASP . 48.1 m -156.08 124.55 5.86 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 114.098 -1.41 . . . . 62.35 110.498 -178.713 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.22 128.92 82.73 Favored Pre-proline 0 C--O 1.239 0.503 0 CA-C-N 115.707 -0.679 . . . . 75.13 110.548 179.588 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -55.35 131.25 45.15 Favored 'Trans proline' 0 C--N 1.351 0.672 0 C-N-CA 122.782 2.321 . . . . 71.3 111.092 -179.122 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 34' ' ' ARG . . . . . 0.757 ' HB2' ' HA3' ' B' ' 40' ' ' GLY . 9.4 ttt180 -74.15 -3.13 27.83 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.601 -0.272 . . . . 71.43 111.102 -173.28 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -57.01 -31.04 64.71 Favored 'General case' 0 CA--C 1.532 0.25 0 CA-C-N 115.932 -0.576 . . . . 72.42 110.625 179.671 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.499 ' HG ' HD12 ' B' ' 85' ' ' ILE . 1.4 mm? -98.18 7.88 45.62 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 115.705 -0.68 . . . . 63.52 110.619 -177.196 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 79.47 59.31 2.71 Favored Glycine 0 N--CA 1.452 -0.24 0 N-CA-C 110.901 -0.88 . . . . 51.22 110.901 -172.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 38' ' ' GLY . . . . . 0.481 ' H ' ' HA ' ' B' ' 34' ' ' ARG . . . -122.72 -129.41 3.53 Favored Glycine 0 C--N 1.331 0.28 0 C-N-CA 121.581 -0.342 . . . . 64.12 112.436 -174.67 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -94.47 -50.38 5.24 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.982 0.42 . . . . 71.25 110.123 -174.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 40' ' ' GLY . . . . . 0.757 ' HA3' ' HB2' ' B' ' 34' ' ' ARG . . . 62.34 85.02 0.05 OUTLIER Glycine 0 N--CA 1.447 -0.62 0 CA-C-N 115.526 -0.761 . . . . 53.13 112.39 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 41' ' ' ALA . . . . . 0.452 ' HB3' ' CB ' ' B' ' 31' ' ' SER . . . -144.62 -171.97 3.72 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.887 0.375 . . . . 45.11 111.216 -176.88 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -81.93 9.22 8.62 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-N 115.62 -0.718 . . . . 74.14 111.43 -179.384 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -83.78 -175.4 50.87 Favored Glycine 0 C--N 1.335 0.476 0 C-N-CA 121.349 -0.453 . . . . 72.12 112.493 179.27 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 44' ' ' THR . . . . . 0.878 ' H ' ' HA ' ' B' ' 30' ' ' LEU . 18.1 p -102.02 173.9 6.18 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 122.499 0.319 . . . . 35.03 111.626 -177.511 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 -86.59 122.18 71.88 Favored Pre-proline 0 CA--C 1.538 0.508 0 CA-C-N 116.062 -0.517 . . . . 71.14 110.761 -179.826 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 46' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -56.21 -54.13 4.4 Favored 'Trans proline' 0 CA--C 1.54 0.785 0 C-N-CA 123.036 2.491 . . . . 54.41 113.315 178.368 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.68 -37.79 87.83 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-O 120.811 0.338 . . . . 73.03 110.308 -179.728 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 26.8 tt0 -58.15 -42.8 86.68 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.859 -0.61 . . . . 65.22 110.282 174.599 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 49' ' ' LEU . . . . . 0.62 HD12 ' HA3' ' A' ' 53' ' ' GLY . 3.3 tm? -60.62 -49.19 78.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.362 -0.835 . . . . 73.15 109.676 179.257 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 50' ' ' PHE . . . . . 0.416 ' CG ' ' HE1' ' A' ' 124' ' ' TYR . 66.3 t80 -58.24 -45.13 88.32 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-N 116.418 -0.355 . . . . 74.53 110.671 176.563 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 51' ' ' ALA . . . . . 0.449 ' HB2' ' CG1' ' B' ' 83' ' ' VAL . . . -54.66 -52.96 60.72 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.212 -0.449 . . . . 63.22 111.342 178.294 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -57.8 -46.97 83.89 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.951 -0.568 . . . . 74.31 111.167 179.566 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 53' ' ' GLY . . . . . 0.58 ' HA3' HD12 ' A' ' 49' ' ' LEU . . . -65.09 -38.35 95.24 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.98 -0.629 . . . . 73.22 112.212 179.69 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 54' ' ' TYR . . . . . 0.756 ' HA ' ' SG ' ' B' ' 57' ' ' CYS . 2.5 t80 -71.33 -41.49 69.75 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 122.418 0.287 . . . . 73.14 110.519 -177.768 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 55' ' ' SER . . . . . 0.461 ' HB3' ' HB2' ' B' ' 81' ' ' ALA . 21.1 p -65.08 -43.36 92.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.05 0.452 . . . . 71.55 110.124 177.785 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.05 -49.24 76.78 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.771 -0.649 . . . . 72.32 110.801 177.019 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 57' ' ' CYS . . . . . 0.756 ' SG ' ' HA ' ' B' ' 54' ' ' TYR . 21.9 p -65.81 -36.03 82.34 Favored 'General case' 0 C--O 1.225 -0.206 0 CA-C-N 116.282 -0.417 . . . . 72.4 110.5 -178.59 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 32.5 t80 -63.16 -41.1 99.19 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-O 121.197 0.522 . . . . 52.32 109.613 -179.499 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 6.5 tt -64.65 -45.83 85.1 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 115.635 -0.711 . . . . 64.41 109.252 176.65 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 60' ' ' SER . . . . . 0.528 ' HA ' ' HG2' ' B' ' 63' ' ' LYS . 21.3 t -61.09 -34.78 75.47 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-O 121.475 0.655 . . . . 73.23 110.048 177.14 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.03 -42.92 88.99 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.88 -0.6 . . . . 44.1 110.057 178.398 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 62' ' ' MET . . . . . . . . . . . . . 62.7 mmm -63.62 -42.65 98.18 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.373 -0.376 . . . . 71.0 111.688 179.08 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 63' ' ' LYS . . . . . 0.528 ' HG2' ' HA ' ' B' ' 60' ' ' SER . 21.3 ptmt -67.75 -37.55 82.28 Favored 'General case' 0 N--CA 1.465 0.29 0 C-N-CA 120.643 -0.423 . . . . 72.03 110.303 179.514 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 67.5 t80 -66.89 -46.02 76.23 Favored 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 110.056 -0.349 . . . . 73.11 110.056 177.268 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 25.4 t -55.46 -46.82 78.87 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.102 0 CA-C-N 116.106 -0.497 . . . . 75.05 110.123 175.585 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -57.54 -33.55 68.23 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.809 -0.632 . . . . 74.13 110.424 177.561 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -67.31 -32.0 78.55 Favored Glycine 0 N--CA 1.452 -0.262 0 CA-C-N 115.434 -0.803 . . . . 75.04 112.323 -178.299 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 68' ' ' GLN . . . . . 0.405 ' HG3' HD22 ' B' ' 69' ' ' ASN . 13.5 pt20 -97.4 -14.86 20.96 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 121.362 0.601 . . . . 64.5 109.522 -179.46 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 69' ' ' ASN . . . . . 0.405 HD22 ' HG3' ' B' ' 68' ' ' GLN . 1.1 m-80 -89.72 -3.47 58.18 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.278 -0.874 . . . . 65.21 110.145 175.521 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 62.01 35.37 16.09 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 115.662 -0.699 . . . . 73.12 110.991 176.54 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -128.9 166.25 19.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.19 -0.913 . . . . 74.24 109.815 177.209 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 64.0 p -123.31 144.05 49.68 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.014 0.435 . . . . 74.12 110.588 178.107 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 96.6 mt -109.56 144.44 29.86 Favored Pre-proline 0 C--N 1.324 -0.537 0 CA-C-N 115.66 -0.7 . . . . 75.15 110.358 178.122 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 74' ' ' PRO . . . . . 0.42 ' O ' HG22 ' B' ' 77' ' ' THR . 12.4 Cg_endo -57.06 138.23 85.39 Favored 'Trans proline' 0 C--N 1.348 0.551 0 C-N-CA 122.951 2.434 . . . . 62.01 112.525 178.166 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -71.82 -20.25 61.87 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 121.485 0.66 . . . . 71.53 111.458 -179.284 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -87.69 18.25 4.15 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.246 -0.888 . . . . 60.22 111.603 -171.295 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 77' ' ' THR . . . . . 0.597 ' HB ' HD13 ' B' ' 103' ' ' LEU . 3.5 t -84.67 167.47 16.16 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.017 0.436 . . . . 73.25 111.922 -177.585 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 78' ' ' THR . . . . . 0.425 ' HA ' ' O ' ' A' ' 11' ' ' SER . 1.1 p -151.7 149.29 28.92 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 115.533 -0.758 . . . . 71.23 110.439 177.793 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 73.7 t -131.98 118.22 36.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 N-CA-C 109.489 -0.56 . . . . 54.24 109.489 175.242 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 19.0 m -105.68 113.2 26.62 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-O 120.837 0.351 . . . . 72.42 110.89 -177.472 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 81' ' ' ALA . . . . . 0.461 ' HB2' ' HB3' ' B' ' 55' ' ' SER . . . -93.18 110.74 22.25 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.323 -0.621 . . . . 73.43 109.323 176.082 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 82' ' ' GLU . . . . . 0.525 ' HA ' ' HA ' ' A' ' 8' ' ' ALA . 28.6 tt0 -108.13 109.07 20.39 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.77 -0.455 . . . . 71.23 109.77 -178.758 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 83' ' ' VAL . . . . . 0.449 ' CG1' ' HB2' ' B' ' 51' ' ' ALA . 18.3 m -101.79 145.9 10.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.025 -0.534 . . . . 71.44 110.813 -177.079 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 84' ' ' GLY . . . . . 0.404 ' HA2' ' HA ' ' A' ' 6' ' ' LYS . . . -139.16 155.44 23.93 Favored Glycine 0 N--CA 1.442 -0.961 0 N-CA-C 111.252 -0.739 . . . . 52.45 111.252 178.037 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 85' ' ' ILE . . . . . 0.556 HD11 ' CD2' ' B' ' 93' ' ' PHE . 0.0 OUTLIER -132.86 130.72 59.03 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 N-CA-C 109.133 -0.692 . . . . 73.1 109.133 -178.674 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -134.81 169.85 23.04 Favored Glycine 0 N--CA 1.452 -0.249 0 CA-C-N 115.25 -0.886 . . . . 52.3 111.009 179.063 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 87' ' ' PRO . . . . . 0.678 ' HD3' ' HG ' ' A' ' 4' ' ' LEU . 79.4 Cg_endo -89.97 139.18 3.09 Favored 'Trans proline' 0 N--CA 1.452 -0.929 0 C-N-CA 122.577 2.185 . . . . 61.3 112.756 -175.282 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 88' ' ' ASN . . . . . . . . . . . . . 55.0 t-20 -102.42 133.22 47.71 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 108.445 -0.946 . . . . 72.3 108.445 174.728 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -58.67 -21.37 54.21 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.148 0.499 . . . . 65.22 110.879 -178.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -67.21 -20.03 65.64 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.554 -0.748 . . . . 74.05 110.789 179.634 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.67 35.33 3.3 Favored Glycine 0 N--CA 1.454 -0.107 0 CA-C-N 115.77 -0.65 . . . . 72.2 112.678 178.246 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . -143.63 175.78 23.4 Favored Glycine 0 N--CA 1.446 -0.678 0 N-CA-C 111.236 -0.746 . . . . 70.13 111.236 177.299 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 93' ' ' PHE . . . . . 0.556 ' CD2' HD11 ' B' ' 85' ' ' ILE . 34.7 m-85 -98.19 138.62 35.19 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.666 -0.494 . . . . 73.12 109.666 178.851 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 94' ' ' ALA . . . . . 0.414 ' HB3' ' HE1' ' A' ' 1' ' ' MET . . . -118.49 136.93 53.53 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.869 -0.605 . . . . 62.21 109.501 -176.16 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -103.48 144.18 31.75 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.371 0.605 . . . . 74.21 111.572 -174.131 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 96' ' ' ASP . . . . . 0.51 ' CB ' HD11 ' A' ' 3' ' ' ILE . 30.5 t70 -136.48 110.36 8.19 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 114.667 -1.151 . . . . 73.53 108.642 179.816 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 97' ' ' VAL . . . . . 0.516 HG13 HG22 ' B' ' 134' ' ' VAL . 2.4 p -125.05 123.67 65.97 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.007 0 CA-C-O 121.305 0.574 . . . . 65.34 111.175 -174.19 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 98' ' ' GLU . . . . . 0.419 ' CG ' ' HB3' ' B' ' 82' ' ' GLU . 9.2 pt-20 -108.64 124.78 51.04 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.715 -0.675 . . . . 74.42 109.919 178.318 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 99' ' ' LEU . . . . . 0.409 HD11 ' CE2' ' B' ' 54' ' ' TYR . 94.0 mt -94.98 107.58 19.62 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.626 -0.715 . . . . 61.12 109.493 178.591 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 100' ' ' ARG . . . . . 0.575 ' HA ' ' O ' ' B' ' 137' ' ' VAL . 80.0 ttt180 -99.53 111.51 23.85 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.072 -0.513 . . . . 64.11 110.036 -176.599 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 101' ' ' VAL . . . . . 0.439 HG21 HG22 ' B' ' 115' ' ' VAL . 96.7 t -103.62 109.44 27.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.045 -0.525 . . . . 60.12 110.902 -173.018 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 102' ' ' ALA . . . . . 0.587 ' HA ' ' HB3' ' B' ' 139' ' ' ALA . . . -107.32 101.14 10.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.037 0.446 . . . . 53.32 110.468 178.482 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 103' ' ' LEU . . . . . 0.597 HD13 ' HB ' ' B' ' 77' ' ' THR . 2.3 mm? -113.6 120.23 39.92 Favored Pre-proline 0 C--N 1.326 -0.452 0 CA-C-N 115.705 -0.679 . . . . 72.24 109.307 177.323 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 104' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -71.47 147.42 52.12 Favored 'Trans proline' 0 N--CA 1.457 -0.627 0 C-N-CA 122.093 1.862 . . . . 74.24 111.817 179.272 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 105' ' ' GLY . . . . . . . . . . . . . . . 67.59 15.22 66.0 Favored Glycine 0 CA--C 1.522 0.521 0 CA-C-N 115.44 -0.8 . . . . 72.34 113.243 -178.459 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 106' ' ' LEU . . . . . 0.451 HD23 ' HB2' ' B' ' 103' ' ' LEU . 28.7 tp -118.71 137.52 53.27 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-O 121.041 0.448 . . . . 60.53 111.037 -178.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -79.05 140.56 37.88 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.475 -0.784 . . . . 63.12 110.682 176.319 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 108' ' ' ALA . . . . . 0.437 ' O ' ' HG3' ' B' ' 112' ' ' LYS . . . -57.49 -37.44 72.95 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.476 -0.329 . . . . 34.32 111.144 178.37 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -57.54 -51.66 68.56 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.099 -0.501 . . . . 64.51 111.001 -179.71 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -69.22 -37.61 78.13 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.16 -0.473 . . . . 72.03 110.32 177.735 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 111' ' ' ALA . . . . . 0.491 ' O ' HG23 ' B' ' 115' ' ' VAL . . . -56.54 -38.95 72.59 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.477 -0.783 . . . . 64.14 110.945 -178.89 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 112' ' ' LYS . . . . . 0.453 ' HA ' HG11 ' B' ' 138' ' ' VAL . 57.0 mtpt -57.01 -43.35 81.71 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.382 0.61 . . . . 74.45 110.216 178.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 113' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -73.83 -35.15 64.8 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.259 -0.882 . . . . 72.03 110.791 -178.055 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 114' ' ' LEU . . . . . 0.424 HD12 HD21 ' B' ' 106' ' ' LEU . 82.7 mt -65.77 -45.71 81.47 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-O 120.932 0.396 . . . . 70.23 109.964 179.358 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 115' ' ' VAL . . . . . 0.513 HG21 HG12 ' B' ' 138' ' ' VAL . 62.1 t -67.06 -36.79 77.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.997 -0.547 . . . . 63.55 110.037 177.677 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -55.76 -57.69 10.95 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.032 -0.531 . . . . 75.43 110.412 178.255 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 117' ' ' ARG . . . . . . . . . . . . . 10.3 ptm180 -66.99 -39.07 87.05 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.929 -0.578 . . . . 70.2 110.827 -177.067 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 118' ' ' ALA . . . . . 0.436 ' O ' HG22 ' B' ' 121' ' ' VAL . . . -62.81 -31.81 72.88 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.159 0.504 . . . . 61.11 110.766 178.312 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 119' ' ' HIS . . . . . 0.453 ' NE2' HG23 ' B' ' 128' ' ' THR . 44.7 t60 -77.84 5.63 9.19 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 116.015 -0.539 . . . . 74.31 110.652 -179.874 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 62.8 m80 -102.58 -31.73 10.26 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 116.08 -0.509 . . . . 61.52 110.576 174.342 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 121' ' ' VAL . . . . . 0.436 HG22 ' O ' ' B' ' 118' ' ' ALA . 24.7 m -83.1 -10.7 11.94 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.288 0 CA-C-N 116.486 -0.325 . . . . 63.42 111.267 -176.25 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 122' ' ' CYS . . . . . 0.635 ' SG ' HG21 ' B' ' 128' ' ' THR . 18.3 p -65.42 118.68 52.89 Favored Pre-proline 0 CA--C 1.533 0.321 0 N-CA-C 109.875 -0.417 . . . . 74.53 109.875 176.556 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 123' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -53.6 -33.2 67.69 Favored 'Trans proline' 0 C--N 1.353 0.776 0 C-N-CA 123.116 2.544 . . . . 65.25 113.212 -174.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 124' ' ' TYR . . . . . 0.421 ' N ' ' CD2' ' B' ' 124' ' ' TYR . 4.3 m-30 -88.03 46.23 1.36 Allowed 'General case' 0 CA--C 1.536 0.432 0 CA-C-O 121.663 0.745 . . . . 65.35 109.089 -178.494 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 125' ' ' SER . . . . . 0.659 ' O ' HG22 ' B' ' 128' ' ' THR . 12.0 p -58.45 -56.17 25.53 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 114.59 -1.186 . . . . 64.23 113.396 -170.72 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 126' ' ' ASN . . . . . . . . . . . . . 73.3 m-20 -57.44 -42.99 83.54 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.469 0.652 . . . . 74.24 110.033 -175.892 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 127' ' ' ALA . . . . . 0.691 ' HB2' ' HB2' ' A' ' 127' ' ' ALA . . . -83.1 -0.12 47.63 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 114.909 -1.041 . . . . 65.3 112.086 -174.894 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 128' ' ' THR . . . . . 0.659 HG22 ' O ' ' B' ' 125' ' ' SER . 1.7 t -106.24 7.11 31.3 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.288 0.566 . . . . 55.14 109.503 -176.138 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 129' ' ' ARG . . . . . 0.442 ' HG2' ' O ' ' B' ' 125' ' ' SER . 14.7 ptm180 -150.16 -60.11 0.2 Allowed 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 115.862 -0.608 . . . . 75.21 112.367 178.38 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 130' ' ' ASN . . . . . . . . . . . . . 88.5 m-20 -78.88 -32.76 46.0 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 112.044 0.387 . . . . 74.14 112.044 -169.83 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 131' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -90.98 -36.8 13.87 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.458 -0.337 . . . . 75.43 110.469 -179.106 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 132' ' ' VAL . . . . . . . . . . . . . 55.1 t -121.02 131.71 72.32 Favored 'Isoleucine or valine' 0 C--O 1.233 0.21 0 N-CA-C 110.087 -0.338 . . . . 52.13 110.087 -174.022 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 133' ' ' ALA . . . . . . . . . . . . . . . -70.9 103.38 2.62 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 116.093 -0.503 . . . . 72.23 110.629 -178.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 134' ' ' VAL . . . . . 0.516 HG22 HG13 ' B' ' 97' ' ' VAL . 31.4 t -114.3 123.83 70.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.756 -0.656 . . . . 61.1 110.729 -179.522 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 12.2 tpt180 -98.84 124.75 43.95 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.638 -0.504 . . . . 74.32 109.638 175.669 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 71.4 mt -90.67 112.91 24.84 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.227 0.537 . . . . 72.41 110.64 178.123 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 137' ' ' VAL . . . . . 0.575 ' O ' ' HA ' ' B' ' 100' ' ' ARG . 0.3 OUTLIER -119.77 113.83 42.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.17 -0.923 . . . . 72.22 110.075 -178.991 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 138' ' ' VAL . . . . . 0.513 HG12 HG21 ' B' ' 115' ' ' VAL . 4.0 m -103.15 138.67 26.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.623 -0.717 . . . . 70.52 110.151 -177.93 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 139' ' ' ALA . . . . . 0.587 ' HB3' ' HA ' ' B' ' 102' ' ' ALA . . . . . . . . 0 C--O 1.251 1.134 0 CA-C-O 118.589 -0.72 . . . . 71.35 110.966 -175.892 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.445 ' SD ' ' HB2' ' B' ' 96' ' ' ASP . 28.7 ptm . . . . . 0 N--CA 1.483 1.187 0 CA-C-O 120.804 0.335 . . . . 71.43 110.408 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.483 ' O ' ' HD2' ' B' ' 87' ' ' PRO . 38.7 t30 -101.91 84.74 2.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.11 -0.495 . . . . 75.52 109.713 178.572 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.53 HG21 ' HB2' ' A' ' 6' ' ' LYS . 26.3 mm -69.01 127.27 30.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.801 -0.636 . . . . 51.02 111.24 178.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.579 ' HG ' ' HD3' ' B' ' 87' ' ' PRO . 85.8 mt -86.17 -41.67 14.49 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.628 -0.715 . . . . 74.21 110.068 175.677 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 41.1 t80 -139.4 131.08 27.34 Favored 'General case' 0 C--O 1.221 -0.442 0 CA-C-N 116.168 -0.469 . . . . 54.43 110.447 -178.888 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.53 ' HB2' HG21 ' A' ' 3' ' ' ILE . 31.4 ttmt -140.8 137.1 33.08 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.845 0.355 . . . . 62.42 110.676 176.071 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 15.0 t -141.6 143.49 33.71 Favored 'General case' 0 C--O 1.24 0.584 0 CA-C-N 115.868 -0.605 . . . . 73.02 110.383 179.363 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.538 ' HA ' ' HA ' ' B' ' 82' ' ' GLU . . . -110.19 140.51 44.23 Favored 'General case' 0 N--CA 1.466 0.356 0 N-CA-C 112.401 0.519 . . . . 64.34 112.401 -173.116 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.449 ' HA ' ' H ' ' A' ' 22' ' ' HIS . . . -122.1 125.43 46.18 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.624 -0.716 . . . . 65.14 110.458 178.33 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 69.2 m -98.13 123.39 42.16 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.258 -0.428 . . . . 73.43 110.467 178.591 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 10.7 p -121.33 130.91 53.89 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.129 0.49 . . . . 71.32 110.674 177.297 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.5 m -113.41 154.96 26.1 Favored 'General case' 0 C--O 1.242 0.674 0 CA-C-N 116.3 -0.409 . . . . 72.12 110.65 -179.773 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -85.77 74.6 2.4 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 121.149 -0.548 . . . . 62.44 111.779 177.719 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -63.23 -107.72 0.01 OUTLIER Glycine 0 C--N 1.334 0.46 0 C-N-CA 121.482 -0.39 . . . . 62.02 112.42 178.143 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 47.5 mtt180 -85.87 -55.66 3.85 Favored 'General case' 0 C--N 1.329 -0.284 0 O-C-N 122.238 -0.566 . . . . 73.04 109.678 172.83 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.578 ' HB3' ' HA ' ' A' ' 31' ' ' SER . 20.1 t70 -125.85 -42.76 1.88 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.118 -0.492 . . . . 74.22 110.289 175.801 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -164.49 143.99 9.01 Favored Glycine 0 C--N 1.345 1.03 0 C-N-CA 119.589 -1.291 . . . . 73.12 112.598 165.755 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 3.0 tmt_? -129.55 111.1 12.4 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.013 -0.736 . . . . 73.24 109.013 175.714 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.645 ' HB1' ' HB1' ' B' ' 52' ' ' ALA . . . -113.58 124.17 51.71 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.731 0.3 . . . . 71.12 111.118 -174.049 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.416 HG23 ' O ' ' A' ' 26' ' ' LEU . 63.4 m -134.55 117.72 16.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 63.53 110.967 -177.684 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.582 ' HB3' ' N ' ' A' ' 26' ' ' LEU . 25.4 t -68.51 106.96 2.74 Favored 'General case' 0 C--O 1.244 0.79 0 N-CA-C 106.509 -1.663 . . . . 62.3 106.509 172.247 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.449 ' H ' ' HA ' ' A' ' 9' ' ' ALA . 48.6 t60 -68.11 -11.8 59.74 Favored 'General case' 0 CA--C 1.519 -0.23 0 O-C-N 125.197 1.561 . . . . 71.44 111.159 -165.272 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.521 ' HB3' ' HE2' ' A' ' 25' ' ' LYS . 23.5 t70 -80.23 14.13 2.06 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.025 -0.731 . . . . 73.43 109.025 174.133 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.41 ' H ' ' C ' ' A' ' 22' ' ' HIS . 28.6 mm-40 69.92 25.31 4.95 Favored 'General case' 0 C--N 1.341 0.222 0 CA-C-N 114.853 -1.067 . . . . 72.53 110.787 175.716 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.521 ' HE2' ' HB3' ' A' ' 23' ' ' ASP . 53.9 mtmt -98.5 -19.25 17.75 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.697 -0.683 . . . . 73.44 111.917 -179.421 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.582 ' N ' ' HB3' ' A' ' 21' ' ' SER . 48.5 tp -151.22 145.59 25.49 Favored 'General case' 0 C--O 1.22 -0.468 0 C-N-CA 120.055 -0.658 . . . . 74.42 110.898 178.023 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -156.21 97.39 1.77 Allowed 'General case' 0 C--O 1.234 0.263 0 O-C-N 123.516 0.51 . . . . 74.13 109.917 175.878 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 3.7 m -144.33 178.11 1.8 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.375 0 CA-C-O 121.566 0.698 . . . . 62.12 112.057 179.581 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 20.1 ttmt -141.67 140.28 33.18 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 114.834 -1.076 . . . . 62.42 109.686 -178.762 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.788 ' HA ' ' H ' ' A' ' 44' ' ' THR . 0.0 OUTLIER -126.09 162.86 24.36 Favored 'General case' 0 C--O 1.257 1.494 0 CA-C-N 116.251 -0.431 . . . . 64.12 110.751 179.546 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.578 ' HA ' ' HB3' ' A' ' 16' ' ' ASP . 52.5 m -157.77 134.17 9.64 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 115.126 -0.943 . . . . 75.34 110.998 -176.488 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.91 125.72 87.23 Favored Pre-proline 0 C--O 1.239 0.526 0 CA-C-N 115.761 -0.654 . . . . 52.21 110.497 175.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.611 ' HG2' HD23 ' A' ' 36' ' ' LEU . 18.7 Cg_endo -59.43 143.27 99.75 Favored 'Trans proline' 0 C--N 1.35 0.617 0 C-N-CA 122.811 2.341 . . . . 73.33 111.761 -179.344 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.471 ' HG2' ' HA3' ' A' ' 40' ' ' GLY . 0.7 OUTLIER -74.92 -9.45 58.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.319 -0.401 . . . . 50.12 110.661 -176.876 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -60.52 -27.55 67.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.06 -0.518 . . . . 75.14 110.519 178.124 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.611 HD23 ' HG2' ' A' ' 33' ' ' PRO . 2.4 mm? -104.92 13.02 31.78 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 116.08 -0.509 . . . . 63.44 110.437 178.759 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 75.08 31.95 57.0 Favored Glycine 0 C--N 1.332 0.345 0 C-N-CA 121.09 -0.576 . . . . 72.22 111.719 -175.488 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -82.09 -130.5 1.32 Allowed Glycine 0 C--N 1.334 0.42 0 C-N-CA 121.486 -0.388 . . . . 73.44 112.878 -178.287 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -95.87 -39.87 9.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.099 0.476 . . . . 63.22 110.344 -174.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.471 ' HA3' ' HG2' ' A' ' 34' ' ' ARG . . . 70.72 90.24 0.09 OUTLIER Glycine 0 N--CA 1.447 -0.624 0 CA-C-N 115.564 -0.744 . . . . 45.53 112.465 -177.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -163.15 153.17 15.76 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.776 -0.454 . . . . 44.21 109.776 -178.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -73.73 76.04 1.56 Allowed 'General case' 0 CA--C 1.533 0.3 0 CA-C-O 121.75 0.786 . . . . 71.23 110.484 179.526 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -132.31 -152.92 7.19 Favored Glycine 0 N--CA 1.453 -0.208 0 CA-C-N 115.134 -0.939 . . . . 55.55 111.764 179.467 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.788 ' H ' ' HA ' ' A' ' 30' ' ' LEU . 83.3 m -117.24 156.83 27.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.627 0.214 . . . . 74.01 110.533 -177.906 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 46.2 m-80 -84.22 119.5 73.3 Favored Pre-proline 0 C--O 1.235 0.309 0 N-CA-C 109.739 -0.467 . . . . 72.33 109.739 173.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -53.58 -44.24 50.75 Favored 'Trans proline' 0 C--N 1.349 0.596 0 C-N-CA 122.82 2.346 . . . . 63.04 112.361 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -65.48 -34.44 78.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.839 -0.619 . . . . 62.13 110.277 -177.891 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.429 ' HA ' HG11 ' A' ' 83' ' ' VAL . 1.0 OUTLIER -67.49 -35.81 79.86 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.828 -0.624 . . . . 72.35 109.358 175.423 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.543 HD12 ' HA3' ' B' ' 53' ' ' GLY . 3.3 tm? -63.16 -46.55 86.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.42 -0.809 . . . . 71.11 109.722 179.724 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 74.3 t80 -63.51 -46.13 87.5 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 116.57 -0.286 . . . . 64.45 110.884 176.45 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.517 ' HB1' ' HB1' ' A' ' 81' ' ' ALA . . . -55.13 -53.21 58.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.349 -0.387 . . . . 52.03 111.103 -179.861 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.98 -35.87 81.77 Favored 'General case' 0 C--O 1.237 0.435 0 CA-C-N 116.004 -0.544 . . . . 51.43 110.643 -179.011 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -66.66 -40.46 94.0 Favored Glycine 0 N--CA 1.447 -0.586 0 CA-C-N 115.602 -0.726 . . . . 45.35 112.115 178.312 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -70.77 -40.96 72.31 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 110.072 -0.344 . . . . 71.4 110.072 -178.833 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 17.9 p -64.41 -47.62 78.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.924 0.392 . . . . 50.31 110.326 178.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.475 ' HB2' ' HB2' ' B' ' 19' ' ' ALA . . . -65.57 -39.48 91.71 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 116.118 -0.492 . . . . 72.41 110.846 178.378 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 54.0 t -66.89 -36.37 82.14 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.768 -0.651 . . . . 74.4 110.637 178.56 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 37.6 t80 -71.76 -33.87 69.0 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-O 121.024 0.44 . . . . 64.12 110.027 -178.213 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.42 HD21 HG23 ' A' ' 77' ' ' THR . 1.5 tm? -63.55 -51.81 63.78 Favored 'General case' 0 C--O 1.234 0.28 0 N-CA-C 109.127 -0.694 . . . . 74.12 109.127 177.4 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.431 ' HA ' ' HE3' ' A' ' 63' ' ' LYS . 7.8 p -65.5 -36.06 82.73 Favored 'General case' 0 C--O 1.237 0.424 0 CA-C-N 115.794 -0.639 . . . . 74.4 110.75 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -62.99 -51.51 66.56 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 115.998 -0.547 . . . . 64.15 110.699 177.341 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 52.9 mmm -59.17 -33.02 70.43 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 120.794 0.331 . . . . 61.32 110.823 177.631 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.556 ' HE2' ' HA ' ' B' ' 16' ' ' ASP . 22.1 ttpp -64.17 -43.4 95.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 62.32 110.18 175.397 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 90.8 t80 -63.84 -43.59 95.7 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-O 121.056 0.455 . . . . 70.35 109.978 176.147 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 53.9 t -56.82 -45.37 83.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.894 -0.594 . . . . 51.41 110.145 175.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.421 ' HA ' ' HG3' ' A' ' 71' ' ' GLN . . . -61.9 -29.05 69.95 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.774 -0.648 . . . . 55.45 109.875 177.543 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -72.55 -31.74 62.68 Favored Glycine 0 N--CA 1.452 -0.267 0 CA-C-N 115.326 -0.852 . . . . 65.01 112.268 -178.145 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -92.52 -19.56 21.84 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 121.59 0.709 . . . . 73.33 109.156 -179.062 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 17.7 m-80 -93.07 -1.79 56.18 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.054 -0.975 . . . . 73.35 110.449 175.395 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 21.4 mmtm 63.34 20.73 12.43 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 114.919 -1.037 . . . . 70.5 111.22 173.041 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.421 ' HG3' ' HA ' ' A' ' 66' ' ' ALA . 3.0 pt20 -107.25 169.01 8.83 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.67 -0.695 . . . . 65.11 110.013 -179.39 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 20.6 p -127.56 132.13 49.91 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.047 0.451 . . . . 71.13 110.594 178.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -109.33 139.26 20.89 Favored Pre-proline 0 C--N 1.324 -0.541 0 CA-C-N 115.787 -0.642 . . . . 63.13 109.469 175.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.532 ' O ' HG22 ' A' ' 77' ' ' THR . 52.1 Cg_exo -55.39 118.94 5.75 Favored 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 122.425 2.084 . . . . 75.32 112.213 -178.567 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -71.18 -0.16 9.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.419 0.628 . . . . 74.43 111.212 179.554 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -89.82 10.33 24.03 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.376 -0.829 . . . . 72.44 110.401 178.142 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.572 ' HB ' HD22 ' A' ' 103' ' ' LEU . 7.7 t -84.23 152.84 23.97 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 116.016 -0.538 . . . . 73.42 110.773 178.62 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.4 p -128.14 149.21 50.52 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-O 121.135 0.493 . . . . 65.01 110.908 174.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 72.6 t -124.64 110.5 25.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 115.365 -0.834 . . . . 73.54 108.83 173.795 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.554 ' HB ' ' HB2' ' A' ' 100' ' ' ARG . 6.9 m -98.06 113.82 25.8 Favored 'General case' 0 C--N 1.314 -0.967 0 CA-C-N 115.164 -0.925 . . . . 61.0 110.708 -173.083 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.517 ' HB1' ' HB1' ' A' ' 51' ' ' ALA . . . -100.21 105.32 16.89 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.172 -0.467 . . . . 75.0 109.932 -179.306 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.619 ' HG2' ' HD3' ' B' ' 6' ' ' LYS . 29.3 tt0 -107.74 107.58 18.42 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.044 -0.725 . . . . 74.0 109.044 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.429 HG11 ' HA ' ' A' ' 48' ' ' GLN . 7.3 p -111.95 137.2 45.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.11 -0.496 . . . . 74.25 111.391 -170.313 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.48 ' HA2' ' HA ' ' B' ' 6' ' ' LYS . . . -137.07 175.73 20.94 Favored Glycine 0 N--CA 1.446 -0.68 0 CA-C-N 116.034 -0.53 . . . . 64.22 112.421 179.164 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -143.77 136.14 23.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 N-CA-C 109.392 -0.595 . . . . 71.32 109.392 -179.709 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -149.07 169.95 29.45 Favored Glycine 0 CA--C 1.519 0.328 0 N-CA-C 111.137 -0.785 . . . . 64.2 111.137 177.481 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.605 ' HD3' ' HG ' ' B' ' 4' ' ' LEU . 71.6 Cg_endo -75.53 140.44 24.06 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.418 2.079 . . . . 75.13 112.013 -178.651 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ASN . . . . . 0.493 ' HB2' ' HB2' ' A' ' 94' ' ' ALA . 51.2 t-20 -96.02 137.74 34.66 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.365 -0.605 . . . . 63.43 109.365 179.585 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -65.02 -10.97 33.95 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 121.003 0.43 . . . . 74.31 111.216 -179.047 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -67.4 -19.16 65.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.861 -0.608 . . . . 62.35 110.417 173.766 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.52 35.28 3.35 Favored Glycine 0 N--CA 1.453 -0.173 0 CA-C-N 115.748 -0.66 . . . . 52.42 112.471 -179.654 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -153.89 -141.58 3.28 Favored Glycine 0 N--CA 1.453 -0.233 0 N-CA-C 111.845 -0.502 . . . . 74.12 111.845 178.802 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 61.7 m-85 -107.94 166.96 10.32 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.829 0.347 . . . . 72.25 110.403 178.873 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.493 ' HB2' ' HB2' ' A' ' 88' ' ' ASN . . . -149.06 121.36 8.41 Favored 'General case' 0 C--O 1.238 0.49 0 N-CA-C 109.517 -0.549 . . . . 73.43 109.517 178.074 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -94.43 130.1 40.92 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.998 -0.546 . . . . 75.45 110.456 179.727 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -117.69 140.0 50.26 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 114.746 -1.116 . . . . 62.1 108.934 -179.417 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.597 HG13 HG13 ' A' ' 134' ' ' VAL . 3.2 p -140.85 110.72 3.24 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.813 0 CA-C-O 121.873 0.844 . . . . 41.42 110.455 173.033 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -91.6 107.2 19.04 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 114.721 -1.127 . . . . 51.52 109.112 -179.284 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 18.5 tp -99.63 111.64 23.96 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.868 -0.606 . . . . 73.33 110.25 -174.061 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.554 ' HB2' ' HB ' ' A' ' 80' ' ' THR . 70.7 mtt85 -98.97 132.11 44.53 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.746 -0.661 . . . . 73.43 109.966 -178.008 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 47.6 t -115.23 102.58 13.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.245 -0.434 . . . . 72.23 110.66 -178.143 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -99.4 100.9 12.02 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.884 -0.413 . . . . 73.1 109.884 177.081 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.647 HD12 ' HB2' ' A' ' 106' ' ' LEU . 2.5 tm? -111.67 115.42 51.38 Favored Pre-proline 0 C--O 1.235 0.333 0 N-CA-C 108.454 -0.943 . . . . 73.31 108.454 179.651 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' PRO . . . . . 0.528 ' HD2' HD22 ' A' ' 103' ' ' LEU . 37.0 Cg_endo -65.27 144.56 81.21 Favored 'Trans proline' 0 N--CA 1.464 -0.228 0 C-N-CA 122.829 2.353 . . . . 73.52 112.947 -176.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 69.48 14.41 69.38 Favored Glycine 0 CA--C 1.521 0.426 0 CA-C-N 115.319 -0.855 . . . . 54.45 112.911 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.647 ' HB2' HD12 ' A' ' 103' ' ' LEU . 33.1 tp -117.55 136.98 52.88 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-O 120.791 0.329 . . . . 65.03 111.254 -178.445 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -73.32 164.83 26.12 Favored 'General case' 0 CA--C 1.512 -0.489 0 CA-C-N 115.717 -0.674 . . . . 72.42 110.856 -178.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.546 ' O ' ' HG3' ' A' ' 112' ' ' LYS . . . -68.63 -45.81 70.87 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.44 -0.8 . . . . 74.35 109.674 170.541 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -61.58 -45.28 94.77 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 115.538 -0.755 . . . . 64.13 110.761 -176.175 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.475 ' O ' HG22 ' A' ' 113' ' ' THR . . . -71.43 -45.16 63.39 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.719 -0.673 . . . . 73.25 110.052 178.847 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -54.56 -40.91 69.19 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-N 116.078 -0.51 . . . . 54.13 111.686 -178.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.546 ' HG3' ' O ' ' A' ' 108' ' ' ALA . 97.3 mttt -56.73 -39.59 74.22 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 120.583 0.23 . . . . 74.23 111.486 -178.414 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 113' ' ' THR . . . . . 0.475 HG22 ' O ' ' A' ' 110' ' ' ALA . 1.2 t -82.03 -35.86 28.37 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-O 120.709 0.29 . . . . 74.22 110.801 -178.471 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.451 ' HG ' ' O ' ' A' ' 110' ' ' ALA . 45.1 mt -66.38 -44.25 83.64 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-O 121.139 0.495 . . . . 61.01 110.083 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.583 HG21 HG12 ' A' ' 138' ' ' VAL . 55.9 t -61.59 -41.19 89.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.655 -0.702 . . . . 72.22 110.148 176.361 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -57.7 -61.46 2.5 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.802 -0.635 . . . . 63.5 110.585 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' ARG . . . . . 0.505 ' O ' HG22 ' A' ' 121' ' ' VAL . 12.2 ptm180 -61.27 -44.94 96.41 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.659 -0.701 . . . . 65.24 111.079 -175.882 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -58.1 -51.11 71.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.97 0.414 . . . . 63.41 111.076 -178.827 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' HIS . . . . . 0.445 ' CE1' HG13 ' A' ' 115' ' ' VAL . 72.4 m80 -75.28 -12.02 60.19 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 116.275 -0.42 . . . . 74.13 111.449 -176.759 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 12.4 t-160 -94.71 -35.87 11.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.231 -0.44 . . . . 75.14 110.913 -178.584 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.505 HG22 ' O ' ' A' ' 117' ' ' ARG . 21.6 m -91.88 -19.79 6.87 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.338 0 CA-C-N 116.691 -0.231 . . . . 74.54 111.588 -177.708 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 49.7 t -135.13 72.28 67.15 Favored Pre-proline 0 CA--C 1.535 0.373 0 CA-C-O 121.103 0.477 . . . . 72.12 111.237 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 92.4 Cg_endo -97.83 137.72 0.42 Allowed 'Trans proline' 0 N--CA 1.452 -0.941 0 C-N-CA 123.033 2.489 . . . . 74.45 111.679 171.548 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 124' ' ' TYR . . . . . 0.404 ' HE1' ' CG ' ' B' ' 50' ' ' PHE . 12.5 t80 -57.81 -25.13 60.18 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-O 121.65 0.738 . . . . 65.44 109.467 176.529 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 125' ' ' SER . . . . . 0.582 ' O ' HG22 ' A' ' 128' ' ' THR . 47.4 t -162.84 140.39 7.99 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 107.653 -1.24 . . . . 62.44 107.653 173.105 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 64.2 t30 -72.21 -31.82 66.21 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.966 0.889 . . . . 73.42 108.959 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 127' ' ' ALA . . . . . 0.694 ' O ' ' HB3' ' A' ' 131' ' ' ASN . . . -76.84 6.95 5.28 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 114.563 -1.199 . . . . 54.1 111.568 178.408 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 128' ' ' THR . . . . . 0.582 HG22 ' O ' ' A' ' 125' ' ' SER . 1.6 t -93.42 -10.16 36.11 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 108.656 -0.868 . . . . 73.21 108.656 -179.753 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 129' ' ' ARG . . . . . 0.458 HH12 HD11 ' A' ' 136' ' ' LEU . 6.3 ptp180 -127.25 -42.56 1.68 Allowed 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 115.315 -0.857 . . . . 72.04 111.343 -178.016 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 12.1 m120 -71.9 -25.48 61.94 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.334 -0.394 . . . . 71.52 110.471 176.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 131' ' ' ASN . . . . . 0.694 ' HB3' ' O ' ' A' ' 127' ' ' ALA . 25.0 t-20 -103.79 -40.34 6.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.09 -0.505 . . . . 72.12 110.689 -179.712 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 132' ' ' VAL . . . . . 0.49 ' HB ' ' O ' ' A' ' 128' ' ' THR . 22.8 t -103.59 144.2 14.43 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.206 0 CA-C-N 116.05 -0.523 . . . . 70.22 110.112 -177.111 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -80.25 103.94 10.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.073 0.463 . . . . 45.42 111.48 -175.37 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 134' ' ' VAL . . . . . 0.597 HG13 HG13 ' A' ' 97' ' ' VAL . 11.0 t -115.08 113.83 44.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.828 -0.624 . . . . 75.02 110.172 174.694 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.48 97.4 10.46 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.402 -0.592 . . . . 72.41 109.402 -179.878 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.458 HD11 HH12 ' A' ' 129' ' ' ARG . 53.0 mt -75.13 122.27 23.34 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 121.13 0.491 . . . . 50.04 110.673 178.567 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 137' ' ' VAL . . . . . 0.467 ' O ' ' HA ' ' A' ' 100' ' ' ARG . 0.1 OUTLIER -133.73 133.73 56.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.448 -0.796 . . . . 74.42 110.052 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 138' ' ' VAL . . . . . 0.583 HG12 HG21 ' A' ' 115' ' ' VAL . 3.3 m -101.22 139.05 23.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.03 -0.532 . . . . 53.11 110.351 -177.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.314 -0.945 0 CA-C-N 115.744 -0.662 . . . . 73.13 110.898 -177.136 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 28.5 ptm . . . . . 0 C--O 1.235 0.317 0 CA-C-O 120.912 0.387 . . . . 72.42 110.734 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 2' ' ' ASN . . . . . 0.455 ' O ' ' HD2' ' A' ' 87' ' ' PRO . 43.2 t30 -100.36 86.71 3.24 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.791 -0.641 . . . . 61.35 109.579 178.674 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 3' ' ' ILE . . . . . 0.52 HG21 ' HB2' ' B' ' 6' ' ' LYS . 29.0 mm -65.41 123.84 19.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 115.705 -0.68 . . . . 72.42 111.267 178.688 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.605 ' HG ' ' HD3' ' A' ' 87' ' ' PRO . 91.8 mt -80.71 -43.71 19.86 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.616 -0.72 . . . . 75.25 110.168 176.872 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 5' ' ' TYR . . . . . . . . . . . . . 52.9 t80 -142.25 132.44 24.77 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 116.157 -0.474 . . . . 75.45 110.714 -178.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 6' ' ' LYS . . . . . 0.619 ' HD3' ' HG2' ' A' ' 82' ' ' GLU . 32.1 ttmt -138.62 145.84 41.0 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.941 0.401 . . . . 65.01 111.019 178.217 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 9.3 t -137.51 161.08 37.33 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.484 -0.78 . . . . 72.52 108.979 176.779 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 8' ' ' ALA . . . . . 0.462 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . . . -126.09 149.25 49.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.306 0.574 . . . . 64.22 112.031 -173.082 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 9' ' ' ALA . . . . . 0.579 ' HA ' ' H ' ' B' ' 22' ' ' HIS . . . -140.78 155.96 46.28 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.272 -0.876 . . . . 31.45 108.93 175.509 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 10' ' ' THR . . . . . 0.544 ' HA ' ' HA ' ' A' ' 80' ' ' THR . 9.0 t -138.68 128.43 24.98 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 108.65 -0.871 . . . . 64.31 108.65 -178.029 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 50.6 m -119.09 113.72 21.37 Favored 'General case' 0 C--N 1.314 -0.967 0 CA-C-N 115.892 -0.595 . . . . 74.14 111.001 -173.634 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 12' ' ' THR . . . . . 0.455 ' HB ' ' HE ' ' B' ' 18' ' ' ARG . 3.5 m -95.84 157.7 15.78 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 116.03 -0.532 . . . . 53.42 110.546 -179.495 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -92.24 74.15 1.44 Allowed Glycine 0 N--CA 1.448 -0.543 0 N-CA-C 111.425 -0.67 . . . . 71.12 111.425 174.152 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -58.02 -99.44 0.01 OUTLIER Glycine 0 C--N 1.339 0.745 0 C-N-CA 121.03 -0.605 . . . . 73.4 112.548 179.459 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 16.1 tpp180 -88.8 -55.1 3.84 Favored 'General case' 0 C--N 1.329 -0.313 0 O-C-N 122.49 -0.418 . . . . 65.14 109.941 174.207 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 16' ' ' ASP . . . . . 0.556 ' HA ' ' HE2' ' A' ' 63' ' ' LYS . 12.8 t70 -125.56 -42.8 1.92 Allowed 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.72 -0.474 . . . . 65.33 109.72 177.816 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -164.86 154.86 25.92 Favored Glycine 0 C--N 1.337 0.61 0 C-N-CA 120.294 -0.955 . . . . 74.22 111.952 164.401 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 18' ' ' ARG . . . . . 0.491 ' HA ' ' HA ' ' B' ' 29' ' ' LYS . 14.8 ttp180 -137.73 148.18 45.39 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.94 -0.393 . . . . 74.4 109.94 176.195 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 19' ' ' ALA . . . . . 0.475 ' HB2' ' HB2' ' A' ' 56' ' ' ALA . . . -137.7 123.93 20.5 Favored 'General case' 0 C--O 1.236 0.364 0 N-CA-C 109.968 -0.382 . . . . 64.21 109.968 178.789 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 23.3 m -131.3 114.66 15.3 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.461 -0.336 . . . . 75.11 110.927 -175.177 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 21' ' ' SER . . . . . 0.53 ' HB3' ' N ' ' B' ' 26' ' ' LEU . 36.7 t -68.92 110.72 4.55 Favored 'General case' 0 C--O 1.248 1.017 0 N-CA-C 107.537 -1.283 . . . . 74.21 107.537 175.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 22' ' ' HIS . . . . . 0.579 ' H ' ' HA ' ' B' ' 9' ' ' ALA . 37.9 t60 -51.09 -28.34 10.35 Favored 'General case' 0 N--CA 1.467 0.418 0 O-C-N 125.926 2.016 . . . . 73.12 112.453 -167.521 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -80.51 23.91 0.49 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.225 0.536 . . . . 63.54 110.089 -176.839 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 24' ' ' GLN . . . . . 0.439 ' H ' ' C ' ' B' ' 22' ' ' HIS . 27.8 mm-40 62.33 21.27 12.42 Favored 'General case' 0 C--N 1.341 0.237 0 CA-C-N 115.339 -0.846 . . . . 71.43 110.202 178.466 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 25' ' ' LYS . . . . . 0.426 ' HA ' ' HD3' ' B' ' 25' ' ' LYS . 29.7 mmtp -93.52 -20.53 20.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.242 -0.89 . . . . 41.25 111.658 -177.415 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 26' ' ' LEU . . . . . 0.53 ' N ' ' HB3' ' B' ' 21' ' ' SER . 58.1 tp -148.38 145.11 27.92 Favored 'General case' 0 C--O 1.221 -0.401 0 C-N-CA 119.806 -0.758 . . . . 71.52 110.838 175.877 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -156.17 91.83 1.29 Allowed 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.076 -0.713 . . . . 53.33 109.076 174.638 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 4.9 m -132.88 175.43 11.42 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.315 0 CA-C-N 116.004 -0.543 . . . . 74.12 111.28 -178.127 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.491 ' HA ' ' HA ' ' B' ' 18' ' ' ARG . 15.1 tttm -143.25 138.91 29.96 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.754 -0.657 . . . . 64.31 110.782 -174.507 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 30' ' ' LEU . . . . . 0.714 ' HA ' ' H ' ' B' ' 44' ' ' THR . 0.0 OUTLIER -124.93 166.84 15.58 Favored 'General case' 0 C--O 1.254 1.313 0 CA-C-O 121.17 0.51 . . . . 72.32 110.988 179.478 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 31' ' ' SER . . . . . 0.525 ' HA ' ' HB3' ' B' ' 16' ' ' ASP . 46.4 m -155.41 123.79 5.92 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 115.158 -0.928 . . . . 62.35 110.707 -175.263 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.44 118.28 35.64 Favored Pre-proline 0 C--O 1.239 0.547 0 CA-C-N 116.02 -0.537 . . . . 75.13 110.409 177.273 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 33' ' ' PRO . . . . . 0.403 ' HG2' HD21 ' B' ' 45' ' ' ASN . 82.1 Cg_exo -49.14 128.85 20.62 Favored 'Trans proline' 0 C--N 1.351 0.674 0 C-N-CA 122.784 2.322 . . . . 71.3 111.543 177.82 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 34' ' ' ARG . . . . . 0.466 ' HA ' ' H ' ' B' ' 38' ' ' GLY . 51.3 ttt180 -64.07 -12.45 39.08 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.369 -0.378 . . . . 71.43 111.207 -173.185 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 43.9 mm-40 -47.98 -39.8 20.57 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 121.443 0.64 . . . . 72.42 110.845 174.824 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 24.1 mt -97.98 11.04 38.82 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 114.977 -1.01 . . . . 63.52 111.108 -171.155 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 88.3 58.19 1.79 Allowed Glycine 0 N--CA 1.452 -0.277 0 CA-C-N 115.91 -0.587 . . . . 51.22 111.68 -177.077 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 38' ' ' GLY . . . . . 0.466 ' H ' ' HA ' ' B' ' 34' ' ' ARG . . . -130.68 -136.44 3.97 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 121.177 -0.535 . . . . 64.12 111.999 -177.872 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -111.65 -24.23 10.2 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.676 0.274 . . . . 71.25 111.475 -176.802 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 55.58 29.19 53.4 Favored Glycine 0 CA--C 1.522 0.515 0 C-N-CA 121.365 -0.445 . . . . 53.13 113.164 -175.87 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -74.44 171.85 13.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.856 0.36 . . . . 45.11 111.169 -178.776 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -72.49 82.29 1.08 Allowed 'General case' 0 C--O 1.235 0.309 0 CA-C-O 121.908 0.861 . . . . 74.14 110.272 177.386 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -145.4 -170.98 14.67 Favored Glycine 0 C--N 1.316 -0.546 0 CA-C-N 114.953 -1.021 . . . . 72.12 111.226 175.736 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 44' ' ' THR . . . . . 0.714 ' H ' ' HA ' ' B' ' 30' ' ' LEU . 15.3 t -114.29 -179.1 3.53 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.865 -0.42 . . . . 35.03 109.865 178.564 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 45' ' ' ASN . . . . . 0.486 ' HB3' ' OE1' ' B' ' 47' ' ' GLU . 5.0 m120 -94.96 135.94 23.2 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 71.14 110.99 -177.211 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 46' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_endo -68.6 -44.93 2.71 Favored 'Trans proline' 0 C--N 1.348 0.551 0 C-N-CA 122.627 2.218 . . . . 54.41 112.345 179.764 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 47' ' ' GLU . . . . . 0.486 ' OE1' ' HB3' ' B' ' 45' ' ' ASN . 0.5 OUTLIER -72.06 -30.22 64.93 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-O 121.058 0.456 . . . . 73.03 109.9 -178.352 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 48' ' ' GLN . . . . . 0.528 HE22 ' C ' ' A' ' 8' ' ' ALA . 8.0 tp60 -66.37 -40.73 89.94 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 115.939 -0.573 . . . . 65.22 110.046 172.534 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -59.06 -47.92 83.48 Favored 'General case' 0 C--O 1.238 0.467 0 CA-C-N 115.592 -0.731 . . . . 73.15 109.206 177.726 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 50' ' ' PHE . . . . . 0.404 ' CG ' ' HE1' ' A' ' 124' ' ' TYR . 78.5 t80 -59.73 -45.32 92.54 Favored 'General case' 0 C--O 1.226 -0.141 0 CA-C-N 115.832 -0.622 . . . . 74.53 110.556 175.583 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -53.28 -52.87 57.68 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.171 -0.468 . . . . 63.22 111.003 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 52' ' ' ALA . . . . . 0.645 ' HB1' ' HB1' ' A' ' 19' ' ' ALA . . . -59.84 -50.37 74.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.716 -0.674 . . . . 74.31 111.088 179.688 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 53' ' ' GLY . . . . . 0.543 ' HA3' HD12 ' A' ' 49' ' ' LEU . . . -62.63 -39.44 97.9 Favored Glycine 0 C--N 1.332 0.326 0 C-N-CA 121.119 -0.562 . . . . 73.22 112.705 -178.449 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -70.25 -48.17 58.08 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 122.965 0.506 . . . . 73.14 110.562 -178.427 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 57.3 p -61.98 -41.02 97.56 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.794 0.331 . . . . 71.55 110.228 -179.381 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 56' ' ' ALA . . . . . 0.427 ' HB2' ' HB2' ' A' ' 19' ' ' ALA . . . -65.05 -45.12 86.67 Favored 'General case' 0 CA--C 1.528 0.1 0 CA-C-N 116.16 -0.473 . . . . 72.32 110.272 175.346 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 57' ' ' CYS . . . . . . . . . . . . . 53.7 t -57.97 -36.56 72.77 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.989 -0.551 . . . . 72.4 110.187 177.611 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 19.9 t80 -64.17 -32.8 74.51 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 116.135 -0.484 . . . . 52.32 109.821 -179.668 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 59' ' ' LEU . . . . . 0.423 HD21 HG23 ' B' ' 79' ' ' VAL . 95.2 mt -69.0 -45.92 69.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.736 -0.665 . . . . 64.41 109.997 175.749 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 16.2 m -60.56 -35.33 75.78 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 116.029 -0.532 . . . . 73.23 110.416 176.665 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.44 -45.91 81.98 Favored 'General case' 0 C--N 1.333 -0.114 0 CA-C-N 115.981 -0.554 . . . . 44.1 110.14 176.768 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 62' ' ' MET . . . . . 0.776 ' HG2' HD12 ' B' ' 73' ' ' LEU . 0.0 OUTLIER -53.15 -53.17 54.37 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 121.716 0.769 . . . . 71.0 110.188 174.212 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 63' ' ' LYS . . . . . 0.598 ' N ' ' SD ' ' B' ' 62' ' ' MET . 27.3 tptp -52.83 -51.91 59.07 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 114.315 -1.312 . . . . 72.03 111.452 178.79 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 73.0 t80 -62.65 -43.33 99.09 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-O 120.81 0.338 . . . . 73.11 110.126 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 2.6 t -50.73 -54.1 10.99 Favored 'Isoleucine or valine' 0 C--O 1.234 0.286 0 CA-C-N 115.73 -0.668 . . . . 75.05 110.464 175.812 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 66' ' ' ALA . . . . . 0.583 ' HA ' ' HG3' ' B' ' 71' ' ' GLN . . . -62.39 -32.71 73.57 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.595 -0.729 . . . . 74.13 109.772 -178.56 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -70.91 -27.84 71.59 Favored Glycine 0 N--CA 1.448 -0.52 0 CA-C-N 114.891 -1.05 . . . . 75.04 112.646 -178.2 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 68' ' ' GLN . . . . . 0.404 HE21 ' HB2' ' B' ' 68' ' ' GLN . 2.2 pt20 -96.26 -22.89 16.96 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-O 121.189 0.518 . . . . 64.5 109.812 -177.856 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 69' ' ' ASN . . . . . 0.449 ' CB ' ' HG2' ' B' ' 71' ' ' GLN . 25.5 m-80 -94.41 3.48 55.12 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.426 -0.806 . . . . 65.21 111.245 -179.374 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 8.1 mptt 59.78 29.0 18.56 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-O 121.284 0.564 . . . . 73.12 110.821 176.192 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 71' ' ' GLN . . . . . 0.583 ' HG3' ' HA ' ' B' ' 66' ' ' ALA . 0.6 OUTLIER -124.13 169.88 11.26 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.652 -0.703 . . . . 74.24 110.385 -174.851 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 14.6 p -128.25 128.22 44.27 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.382 -0.372 . . . . 74.12 110.854 176.095 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 73' ' ' LEU . . . . . 0.776 HD12 ' HG2' ' B' ' 62' ' ' MET . 35.8 mt -102.59 155.11 36.94 Favored Pre-proline 0 C--N 1.328 -0.364 0 N-CA-C 108.833 -0.803 . . . . 75.15 108.833 177.396 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 74' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_exo -55.66 105.74 0.17 Allowed 'Trans proline' 0 C--N 1.348 0.541 0 C-N-CA 122.391 2.061 . . . . 62.01 112.347 -177.852 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -77.01 -5.4 48.58 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.336 -0.393 . . . . 71.53 111.896 -177.148 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -87.52 14.54 8.04 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-O 121.752 0.787 . . . . 60.22 110.291 -178.308 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 77' ' ' THR . . . . . 0.453 ' HB ' HD12 ' B' ' 103' ' ' LEU . 4.2 t -78.71 169.56 18.04 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.29 -0.868 . . . . 73.25 112.027 -177.016 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 23.3 m -150.4 149.24 29.78 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-N 115.622 -0.717 . . . . 71.23 109.36 177.088 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 79' ' ' VAL . . . . . 0.423 HG23 HD21 ' B' ' 59' ' ' LEU . 93.6 t -124.83 147.26 29.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 N-CA-C 109.66 -0.496 . . . . 54.24 109.66 179.665 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 31.5 m -132.02 111.73 11.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.864 0.364 . . . . 72.42 110.3 173.624 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -95.21 104.61 16.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.899 -0.591 . . . . 73.43 110.262 179.486 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 82' ' ' GLU . . . . . 0.538 ' HA ' ' HA ' ' A' ' 8' ' ' ALA . 34.0 tt0 -103.52 109.59 21.3 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.862 -0.422 . . . . 71.23 109.862 -179.658 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 83' ' ' VAL . . . . . 0.431 HG12 ' HB ' ' B' ' 97' ' ' VAL . 18.6 m -104.55 143.19 16.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.866 0.365 . . . . 71.44 111.038 -175.684 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 84' ' ' GLY . . . . . 0.412 ' HA2' ' HA ' ' A' ' 6' ' ' LYS . . . -140.52 161.67 26.57 Favored Glycine 0 N--CA 1.441 -1.03 0 N-CA-C 111.524 -0.63 . . . . 52.45 111.524 178.07 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -140.64 132.01 29.81 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.84 0 N-CA-C 109.625 -0.509 . . . . 73.1 109.625 -177.663 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -144.03 169.84 26.08 Favored Glycine 0 CA--C 1.518 0.24 0 N-CA-C 110.948 -0.861 . . . . 52.3 110.948 178.723 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 87' ' ' PRO . . . . . 0.579 ' HD3' ' HG ' ' A' ' 4' ' ' LEU . 73.3 Cg_endo -75.11 138.87 23.33 Favored 'Trans proline' 0 C--O 1.234 0.3 0 C-N-CA 122.18 1.92 . . . . 61.3 112.211 -177.888 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 88' ' ' ASN . . . . . . . . . . . . . 53.7 t-20 -94.46 137.52 33.49 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.022 -0.732 . . . . 72.3 109.022 178.383 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -66.25 -12.59 57.21 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 121.149 0.499 . . . . 65.22 110.867 -177.887 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -67.44 -19.88 65.43 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-O 121.659 0.742 . . . . 74.05 110.235 173.129 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.43 35.12 3.42 Favored Glycine 0 N--CA 1.452 -0.24 0 CA-C-N 115.144 -0.934 . . . . 72.2 112.283 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . -145.93 -140.59 3.52 Favored Glycine 0 N--CA 1.451 -0.308 0 N-CA-C 111.091 -0.804 . . . . 70.13 111.091 177.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 93' ' ' PHE . . . . . . . . . . . . . 27.3 m-85 -117.17 166.89 11.71 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.933 -0.395 . . . . 73.12 109.933 175.417 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -145.72 130.8 18.34 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.639 -0.71 . . . . 62.21 109.503 -178.802 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -99.91 127.06 46.13 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-O 121.095 0.474 . . . . 74.21 111.066 -175.893 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 96' ' ' ASP . . . . . 0.445 ' HB2' ' SD ' ' A' ' 1' ' ' MET . 32.5 t70 -114.69 110.27 19.49 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.174 -0.921 . . . . 73.53 109.021 177.109 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 97' ' ' VAL . . . . . 0.627 HG13 HG22 ' B' ' 134' ' ' VAL . 0.2 OUTLIER -121.3 119.19 58.43 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.956 0 CA-C-O 121.407 0.622 . . . . 65.34 110.574 -176.681 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 98' ' ' GLU . . . . . 0.514 ' HG2' HG11 ' B' ' 137' ' ' VAL . 34.2 tt0 -107.15 118.76 37.57 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.192 -0.913 . . . . 74.42 109.818 -174.896 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 77.1 mt -103.88 112.1 24.92 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 120.647 0.261 . . . . 61.12 110.387 -177.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 100' ' ' ARG . . . . . 0.536 ' HA ' ' O ' ' B' ' 137' ' ' VAL . 70.3 mtt180 -99.54 120.48 39.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.135 -0.484 . . . . 64.11 110.717 -177.332 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 101' ' ' VAL . . . . . . . . . . . . . 94.8 t -109.72 103.37 15.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.955 -0.566 . . . . 60.12 110.922 -176.809 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 102' ' ' ALA . . . . . 0.542 ' HA ' ' HB3' ' B' ' 139' ' ' ALA . . . -92.51 101.17 13.61 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.735 -0.839 . . . . 53.32 108.735 172.867 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 103' ' ' LEU . . . . . 0.555 HD12 ' HD2' ' B' ' 104' ' ' PRO . 17.1 tp -120.19 107.86 38.95 Favored Pre-proline 0 C--N 1.33 -0.271 0 N-CA-C 109.182 -0.673 . . . . 72.24 109.182 -173.505 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 104' ' ' PRO . . . . . 0.555 ' HD2' HD12 ' B' ' 103' ' ' LEU . 80.9 Cg_endo -73.59 156.67 49.33 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 123.201 2.601 . . . . 74.24 113.109 -171.823 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 105' ' ' GLY . . . . . . . . . . . . . . . 71.74 15.67 75.87 Favored Glycine 0 C--N 1.334 0.434 0 CA-C-N 115.951 -0.568 . . . . 72.34 112.326 179.398 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 106' ' ' LEU . . . . . 0.508 ' CD2' HD23 ' B' ' 103' ' ' LEU . 23.9 tp -138.16 141.12 40.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.688 0.28 . . . . 60.53 111.195 -172.626 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -76.63 147.14 37.73 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 115.913 -0.585 . . . . 63.12 110.207 174.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -64.35 -36.3 83.69 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.824 0.345 . . . . 34.32 110.932 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -59.02 -51.64 69.18 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 116.132 -0.485 . . . . 64.51 110.779 179.799 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 110' ' ' ALA . . . . . 0.47 ' O ' HG22 ' B' ' 113' ' ' THR . . . -68.98 -37.5 78.8 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-O 121.12 0.486 . . . . 72.03 110.309 177.373 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 111' ' ' ALA . . . . . 0.503 ' HA ' HD21 ' B' ' 106' ' ' LEU . . . -55.53 -36.15 66.43 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.745 -0.661 . . . . 64.14 110.689 179.084 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 112' ' ' LYS . . . . . . . . . . . . . 50.6 mttm -54.45 -49.26 70.46 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.2 -0.454 . . . . 74.45 110.893 176.352 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 113' ' ' THR . . . . . 0.47 HG22 ' O ' ' B' ' 110' ' ' ALA . 1.1 t -74.87 -33.84 62.14 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 121.105 -0.238 . . . . 72.03 110.766 -175.614 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 46.0 mt -67.11 -48.74 67.21 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 116.581 -0.281 . . . . 70.23 110.368 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 115' ' ' VAL . . . . . 0.551 ' O ' ' HB2' ' B' ' 119' ' ' HIS . 86.4 t -65.26 -34.51 70.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.198 -0.455 . . . . 63.55 109.94 176.671 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -62.22 -53.63 52.41 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 116.385 -0.37 . . . . 75.43 111.269 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 117' ' ' ARG . . . . . 0.438 ' HG2' ' O ' ' B' ' 113' ' ' THR . 5.2 ptm180 -68.36 -38.2 81.18 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 116.13 -0.486 . . . . 70.2 110.267 -177.372 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -61.12 -39.66 90.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.338 0.589 . . . . 61.11 109.522 174.6 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 119' ' ' HIS . . . . . 0.551 ' HB2' ' O ' ' B' ' 115' ' ' VAL . 2.8 t-80 -78.69 10.88 2.89 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 115.241 -0.89 . . . . 74.31 110.574 178.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 15.8 m170 -108.56 -40.32 5.14 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-O 120.684 0.278 . . . . 61.52 110.433 173.243 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 35.0 m -84.54 -37.56 12.78 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.292 0 N-CA-C 112.023 0.379 . . . . 63.42 112.023 -175.193 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 122' ' ' CYS . . . . . . . . . . . . . 81.9 m -65.49 143.24 98.62 Favored Pre-proline 0 CA--C 1.534 0.361 0 CA-C-N 116.703 -0.226 . . . . 74.53 111.514 -174.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 123' ' ' PRO . . . . . 0.401 ' C ' ' H ' ' B' ' 125' ' ' SER . 38.6 Cg_endo -65.51 166.51 19.46 Favored 'Trans proline' 0 C--N 1.354 0.851 0 C-N-CA 122.671 2.247 . . . . 65.25 111.179 176.755 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 124' ' ' TYR . . . . . . . . . . . . . 85.3 m-85 72.25 -45.91 0.63 Allowed 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 123.163 0.585 . . . . 65.35 110.747 -175.487 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 125' ' ' SER . . . . . 0.609 ' HA ' HG22 ' B' ' 128' ' ' THR . 25.7 t -53.86 -43.49 69.57 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 115.727 -0.67 . . . . 64.23 112.394 -174.144 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 126' ' ' ASN . . . . . . . . . . . . . 24.8 p-10 -59.34 -40.22 85.66 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.258 0.552 . . . . 74.24 110.219 -179.064 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 127' ' ' ALA . . . . . 0.512 ' O ' ' HB3' ' B' ' 131' ' ' ASN . . . -83.13 -3.27 57.16 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.31 -0.859 . . . . 65.3 111.611 -177.369 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 128' ' ' THR . . . . . 0.609 HG22 ' HA ' ' B' ' 125' ' ' SER . 1.4 t -114.4 -17.49 11.76 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 120.883 -0.327 . . . . 55.14 110.37 -173.523 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 129' ' ' ARG . . . . . 0.422 ' HG2' ' O ' ' B' ' 125' ' ' SER . 15.6 ptm180 -109.85 -41.72 4.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.76 0.314 . . . . 75.21 110.329 -177.392 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 130' ' ' ASN . . . . . . . . . . . . . 43.5 m-80 -78.48 -46.79 18.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.186 0.517 . . . . 74.14 109.981 176.457 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 131' ' ' ASN . . . . . 0.512 ' HB3' ' O ' ' B' ' 127' ' ' ALA . 0.2 OUTLIER -82.83 -43.94 16.07 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 115.546 -0.752 . . . . 75.43 110.61 -176.656 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 132' ' ' VAL . . . . . 0.466 HG12 ' N ' ' B' ' 133' ' ' ALA . 21.3 t -112.08 167.93 5.27 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.459 0 CA-C-N 116.307 -0.406 . . . . 52.13 110.112 -174.186 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 133' ' ' ALA . . . . . 0.466 ' N ' HG12 ' B' ' 132' ' ' VAL . . . -98.44 88.98 4.27 Favored 'General case' 0 C--O 1.243 0.715 0 CA-C-O 121.533 0.682 . . . . 72.23 112.043 -176.805 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 134' ' ' VAL . . . . . 0.627 HG22 HG13 ' B' ' 97' ' ' VAL . 86.8 t -103.03 126.85 57.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.062 -0.972 . . . . 61.1 110.613 173.252 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 26.3 ttp-105 -101.39 110.75 22.81 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.804 -0.635 . . . . 74.32 109.561 176.861 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 136' ' ' LEU . . . . . 0.449 HD11 ' CG ' ' B' ' 119' ' ' HIS . 64.0 mt -80.47 117.36 21.13 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 121.291 0.567 . . . . 72.41 110.631 179.816 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 137' ' ' VAL . . . . . 0.536 ' O ' ' HA ' ' B' ' 100' ' ' ARG . 0.1 OUTLIER -121.88 115.52 46.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.296 -0.866 . . . . 72.22 109.592 179.863 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 138' ' ' VAL . . . . . . . . . . . . . 11.4 m -97.79 138.83 21.46 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-N 115.72 -0.673 . . . . 70.52 109.857 -178.054 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 139' ' ' ALA . . . . . 0.542 ' HB3' ' HA ' ' B' ' 102' ' ' ALA . . . . . . . . 0 C--N 1.309 -1.158 0 CA-C-O 118.325 -0.845 . . . . 71.35 110.256 -173.018 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.5 ptt? . . . . . 0 N--CA 1.484 1.246 0 CA-C-O 120.478 0.18 . . . . 71.43 110.681 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 50.9 t30 -77.68 71.39 4.16 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 121.249 0.547 . . . . 75.52 110.744 -179.014 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.534 HG21 ' HB2' ' A' ' 6' ' ' LYS . 34.2 mm -59.54 119.8 4.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 115.762 -0.654 . . . . 51.02 111.218 174.533 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.614 ' HG ' ' HD3' ' B' ' 87' ' ' PRO . 93.0 mt -78.79 -45.22 21.48 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.329 -0.851 . . . . 74.21 110.239 177.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 27.7 t80 -137.37 133.82 35.26 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.139 -0.482 . . . . 54.43 109.83 -179.561 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.534 ' HB2' HG21 ' A' ' 3' ' ' ILE . 36.4 ttmt -136.91 144.63 43.57 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.15 -0.477 . . . . 62.42 110.724 178.767 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 9.3 t -145.35 145.14 31.08 Favored 'General case' 0 C--O 1.237 0.422 0 N-CA-C 109.209 -0.663 . . . . 73.02 109.209 177.434 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -120.58 136.27 54.85 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-O 121.122 0.487 . . . . 64.34 111.178 -174.585 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -127.93 129.41 46.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.982 -0.554 . . . . 65.14 110.394 179.329 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 7.9 t -96.1 121.38 37.81 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.169 0.509 . . . . 73.43 109.643 179.36 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 33.0 p -112.3 115.2 28.38 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.02 -0.536 . . . . 71.32 110.728 -179.317 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.9 m -88.29 166.95 13.95 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.622 -0.511 . . . . 72.12 109.622 176.713 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -80.62 8.34 55.22 Favored Glycine 0 CA--C 1.522 0.522 0 C-N-CA 120.807 -0.711 . . . . 62.44 113.171 179.058 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 33.23 -133.32 0.27 Allowed Glycine 0 C--N 1.344 1.006 0 O-C-N 123.576 0.221 . . . . 62.02 112.717 -174.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 29.2 ttm180 -88.93 -34.49 16.9 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 108.098 -1.075 . . . . 73.04 108.098 162.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.465 ' HB3' ' HA ' ' A' ' 31' ' ' SER . 40.6 t0 -125.9 -42.44 1.9 Allowed 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 115.474 -0.784 . . . . 74.22 109.726 170.641 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -164.3 162.62 35.48 Favored Glycine 0 C--N 1.344 1.009 0 C-N-CA 120.129 -1.034 . . . . 73.12 112.338 169.012 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.693 ' HA ' ' HA ' ' A' ' 29' ' ' LYS . 57.5 ttp180 -149.38 144.51 26.44 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.482 -0.562 . . . . 73.24 109.482 175.771 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.696 ' HB1' ' HB1' ' B' ' 52' ' ' ALA . . . -134.66 123.57 23.95 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 110.167 -0.308 . . . . 71.12 110.167 179.337 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 47.1 m -135.93 112.46 9.99 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.177 -0.465 . . . . 63.53 110.163 -178.559 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.561 ' HB3' ' N ' ' A' ' 26' ' ' LEU . 23.3 t -70.44 107.24 3.73 Favored 'General case' 0 C--O 1.242 0.663 0 N-CA-C 106.793 -1.558 . . . . 62.3 106.793 176.008 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.407 ' C ' ' H ' ' A' ' 24' ' ' GLN . 80.0 t60 -55.95 -29.08 59.62 Favored 'General case' 0 N--CA 1.472 0.659 0 O-C-N 125.756 1.91 . . . . 71.44 112.772 -164.442 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -80.39 17.82 1.01 Allowed 'General case' 0 C--N 1.317 -0.837 0 CA-C-O 121.375 0.607 . . . . 73.43 110.221 178.889 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.407 ' H ' ' C ' ' A' ' 22' ' ' HIS . 25.0 mm-40 72.08 23.75 3.36 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 114.495 -1.229 . . . . 72.53 110.488 172.653 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.8 mtmp? -86.96 -16.59 35.38 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-N 115.662 -0.699 . . . . 73.44 111.499 175.512 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.561 ' N ' ' HB3' ' A' ' 21' ' ' SER . 42.8 tp -157.44 146.61 19.93 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 119.906 -0.718 . . . . 74.42 111.556 177.617 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -156.54 98.17 1.79 Allowed 'General case' 0 N--CA 1.465 0.298 0 O-C-N 123.61 0.569 . . . . 74.13 110.627 173.271 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.456 ' O ' ' HG3' ' A' ' 18' ' ' ARG . 2.7 m -147.52 174.6 1.78 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.265 0 CA-C-O 121.027 0.441 . . . . 62.12 110.801 174.684 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.693 ' HA ' ' HA ' ' A' ' 18' ' ' ARG . 0.6 OUTLIER -137.9 144.72 41.45 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.76 -0.655 . . . . 62.42 110.077 -179.39 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.566 ' N ' HD13 ' A' ' 30' ' ' LEU . 0.0 OUTLIER -131.4 173.7 10.82 Favored 'General case' 0 C--O 1.255 1.348 0 CA-C-O 121.646 0.736 . . . . 64.12 112.216 -175.755 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.465 ' HA ' ' HB3' ' A' ' 16' ' ' ASP . 35.7 t -162.96 138.14 6.69 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 114.296 -1.32 . . . . 75.34 109.706 -177.716 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.58 149.28 95.72 Favored Pre-proline 0 C--N 1.327 -0.41 0 CA-C-N 116.085 -0.507 . . . . 52.21 110.405 177.12 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.598 ' HD3' ' HB2' ' A' ' 45' ' ' ASN . 21.1 Cg_endo -60.89 116.3 3.27 Favored 'Trans proline' 0 C--N 1.348 0.547 0 C-N-CA 122.298 1.998 . . . . 73.33 111.61 -176.337 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.444 ' HG2' ' N ' ' A' ' 40' ' ' GLY . 0.0 OUTLIER -58.09 -20.65 41.39 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 116.43 -0.35 . . . . 50.12 110.333 -179.669 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 26.3 mm-40 -46.42 -47.68 18.95 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.651 -0.704 . . . . 75.14 110.847 174.728 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 7.7 mp -103.88 24.43 11.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.503 -0.771 . . . . 63.44 110.545 -177.063 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 79.18 32.0 40.62 Favored Glycine 0 C--N 1.333 0.382 0 CA-C-N 115.984 -0.553 . . . . 72.22 112.924 178.173 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -53.73 -70.59 0.89 Allowed Glycine 0 CA--C 1.523 0.554 0 C-N-CA 121.53 -0.366 . . . . 73.44 113.542 -179.612 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.52 ' HB2' ' HE3' ' B' ' 63' ' ' LYS . . . -167.69 -61.1 0.03 OUTLIER 'General case' 0 C--O 1.232 0.158 0 CA-C-O 120.876 0.369 . . . . 63.22 111.207 178.543 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.444 ' N ' ' HG2' ' A' ' 34' ' ' ARG . . . 126.32 57.69 0.15 Allowed Glycine 0 N--CA 1.458 0.11 0 C-N-CA 121.046 -0.597 . . . . 45.53 112.462 -175.097 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -149.75 140.37 22.56 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 110.107 -0.331 . . . . 44.21 110.107 177.375 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -73.23 88.18 1.49 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.761 0.791 . . . . 71.23 109.688 176.546 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -139.56 -167.81 11.09 Favored Glycine 0 C--N 1.315 -0.631 0 CA-C-N 115.5 -0.773 . . . . 55.55 111.928 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.558 ' O ' ' HB2' ' A' ' 30' ' ' LEU . 53.6 m -92.83 135.63 33.96 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.61 -0.515 . . . . 74.01 109.61 179.405 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.598 ' HB2' ' HD3' ' A' ' 33' ' ' PRO . 7.4 p-10 -79.02 129.25 73.68 Favored Pre-proline 0 C--O 1.237 0.419 0 N-CA-C 109.215 -0.661 . . . . 72.33 109.215 177.181 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 45' ' ' ASN . 77.2 Cg_exo -49.44 -36.58 39.51 Favored 'Trans proline' 0 C--N 1.349 0.591 0 C-N-CA 123.214 2.609 . . . . 63.04 112.913 -174.324 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.53 ' CD ' ' H ' ' A' ' 47' ' ' GLU . 4.6 mp0 -56.84 -48.62 77.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.735 -0.666 . . . . 62.13 109.919 -179.736 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.514 ' OE1' ' HB2' ' B' ' 21' ' ' SER . 1.0 OUTLIER -67.96 -41.46 82.41 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.858 -0.61 . . . . 72.35 110.194 -178.956 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -54.88 -48.85 72.44 Favored 'General case' 0 C--O 1.238 0.479 0 CA-C-N 115.973 -0.558 . . . . 71.11 109.533 -178.356 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.48 ' CG ' ' HE1' ' B' ' 124' ' ' TYR . 73.1 t80 -67.87 -43.54 79.18 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.638 -0.71 . . . . 64.45 111.022 179.31 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.418 ' O ' ' HB2' ' A' ' 55' ' ' SER . . . -51.17 -53.6 33.16 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.813 0.339 . . . . 52.03 111.023 176.108 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.518 ' HB1' ' HB1' ' B' ' 19' ' ' ALA . . . -61.66 -50.11 73.81 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-N 115.908 -0.587 . . . . 51.43 111.132 -178.712 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.485 ' O ' ' SG ' ' A' ' 57' ' ' CYS . . . -58.44 -56.19 26.61 Favored Glycine 0 C--O 1.226 -0.364 0 CA-C-N 115.656 -0.702 . . . . 45.35 111.973 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 7.0 t80 -60.91 -37.04 80.88 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 122.988 0.515 . . . . 71.4 110.898 -178.722 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.418 ' HB2' ' O ' ' A' ' 51' ' ' ALA . 8.6 t -60.74 -53.58 55.63 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.223 0.535 . . . . 50.31 109.726 179.081 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.543 ' HB1' HD21 ' B' ' 30' ' ' LEU . . . -67.35 -33.7 75.77 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.772 -0.649 . . . . 72.41 110.738 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.639 ' SG ' ' HB3' ' B' ' 46' ' ' PRO . 80.5 m -66.57 -36.42 82.61 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.998 -0.546 . . . . 74.4 110.024 177.713 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 36.1 t80 -69.7 -37.71 76.68 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.097 -0.705 . . . . 64.12 109.097 -179.589 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.468 ' O ' ' HG3' ' A' ' 63' ' ' LYS . 49.6 tp -65.31 -45.85 82.7 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 115.589 -0.732 . . . . 74.12 110.29 176.346 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 32.8 t -62.06 -48.6 79.53 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 116.045 -0.525 . . . . 74.4 110.234 178.779 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.452 ' O ' HG23 ' A' ' 65' ' ' VAL . . . -59.57 -40.62 87.93 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.047 -0.524 . . . . 64.15 110.229 177.935 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' MET . . . . . 0.439 ' HG3' ' CD1' ' A' ' 73' ' ' LEU . 5.5 tpt -58.76 -35.61 73.05 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.962 -0.563 . . . . 61.32 110.182 177.658 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.529 ' NZ ' ' HA ' ' B' ' 16' ' ' ASP . 97.2 mttt -67.57 -51.95 44.47 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-O 120.903 0.382 . . . . 62.32 110.249 176.345 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.408 ' CZ ' ' HE1' ' B' ' 93' ' ' PHE . 58.9 t80 -59.87 -35.03 73.95 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 115.986 -0.552 . . . . 70.35 110.054 -178.6 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.452 HG23 ' O ' ' A' ' 61' ' ' ALA . 54.6 t -64.22 -44.13 97.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.947 -0.57 . . . . 51.41 109.767 173.46 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.59 -30.79 68.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.099 0.476 . . . . 55.45 110.087 175.159 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -70.12 -34.28 70.03 Favored Glycine 0 C--N 1.33 0.228 0 CA-C-N 115.292 -0.867 . . . . 65.01 112.108 -177.549 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -88.0 -20.35 25.94 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.642 0.734 . . . . 73.33 109.046 178.337 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.516 ' HB3' ' HG2' ' A' ' 71' ' ' GLN . 8.6 m-80 -86.95 -3.36 59.08 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 114.792 -1.095 . . . . 73.35 110.915 176.042 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 9.8 mptt 55.06 30.68 14.7 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-O 121.467 0.651 . . . . 70.5 110.903 177.711 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.516 ' HG2' ' HB3' ' A' ' 69' ' ' ASN . 0.0 OUTLIER -119.22 158.15 26.59 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 114.945 -1.025 . . . . 65.11 109.287 176.579 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 17.1 p -118.45 137.26 53.29 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.945 0.402 . . . . 71.13 111.297 -177.348 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.439 ' CD1' ' HG3' ' A' ' 62' ' ' MET . 79.8 mt -109.39 138.05 20.43 Favored Pre-proline 0 CA--C 1.535 0.378 0 CA-C-N 115.939 -0.573 . . . . 63.13 109.946 179.687 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.51 ' HD2' HD11 ' A' ' 103' ' ' LEU . 35.4 Cg_exo -59.57 141.77 97.78 Favored 'Trans proline' 0 C--N 1.351 0.693 0 C-N-CA 123.164 2.576 . . . . 75.32 113.099 -179.331 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -77.25 -9.89 59.08 Favored 'General case' 0 N--CA 1.467 0.386 0 N-CA-C 112.166 0.432 . . . . 74.43 112.166 -179.3 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -89.93 17.47 6.74 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.653 0.74 . . . . 72.44 110.903 -177.625 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.516 ' HB ' HD12 ' A' ' 103' ' ' LEU . 10.0 t -86.33 168.48 13.83 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.552 -0.749 . . . . 73.42 111.372 -178.097 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.507 HG22 ' HA ' ' B' ' 12' ' ' THR . 1.0 OUTLIER -153.75 149.36 27.38 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 115.766 -0.652 . . . . 65.01 110.742 -179.164 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 74.2 t -131.92 121.99 48.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 N-CA-C 109.124 -0.695 . . . . 73.54 109.124 173.47 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.546 ' HA ' ' HA ' ' B' ' 10' ' ' THR . 16.5 m -106.18 112.54 25.62 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.602 -0.272 . . . . 61.0 110.756 -179.814 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -93.19 105.87 17.91 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.575 -0.528 . . . . 75.0 109.575 176.424 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.47 ' HA ' ' HA ' ' B' ' 8' ' ' ALA . 31.2 tt0 -104.67 107.58 18.6 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 108.677 -0.86 . . . . 74.0 108.677 -179.745 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 30.7 m -112.14 144.94 18.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 121.118 0.485 . . . . 74.25 111.811 -171.181 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.403 ' HA2' ' HA ' ' B' ' 6' ' ' LYS . . . -136.43 160.51 24.77 Favored Glycine 0 N--CA 1.438 -1.179 0 CA-C-N 115.392 -0.822 . . . . 64.22 111.712 177.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -129.81 132.55 65.77 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.777 0 N-CA-C 108.563 -0.903 . . . . 71.32 108.563 178.23 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' GLY . . . . . 0.432 ' HA2' ' HG ' ' B' ' 4' ' ' LEU . . . -149.75 169.81 29.9 Favored Glycine 0 C--N 1.329 0.15 0 O-C-N 123.689 0.618 . . . . 64.2 111.575 -176.182 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.678 ' HD3' ' HG ' ' B' ' 4' ' ' LEU . 90.9 Cg_endo -81.97 140.95 11.62 Favored 'Trans proline' 0 N--CA 1.458 -0.591 0 C-N-CA 122.297 1.998 . . . . 75.13 112.816 -177.266 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -79.07 159.39 27.56 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.422 -0.808 . . . . 63.43 109.279 175.863 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -57.24 -26.0 60.04 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-O 120.753 0.311 . . . . 74.31 111.486 -178.585 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -73.37 -24.41 60.32 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-O 121.186 0.517 . . . . 62.35 111.092 179.535 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.3 25.15 7.16 Favored Glycine 0 N--CA 1.453 -0.221 0 CA-C-N 115.813 -0.631 . . . . 52.42 112.029 -176.098 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' GLY . . . . . 0.472 ' O ' ' HA ' ' A' ' 87' ' ' PRO . . . -108.01 -160.65 20.67 Favored Glycine 0 C--N 1.332 0.322 0 N-CA-C 110.657 -0.977 . . . . 74.12 110.657 173.673 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 59.2 m-85 -108.83 152.28 25.1 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 117.413 0.606 . . . . 72.25 110.622 177.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -147.83 145.5 28.75 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 115.865 -0.607 . . . . 73.43 110.205 -177.792 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -104.91 149.28 25.84 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 121.175 0.512 . . . . 75.45 111.456 -176.333 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -135.26 125.58 26.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 114.961 -1.018 . . . . 62.1 109.31 -177.319 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.527 ' HB ' HG22 ' A' ' 134' ' ' VAL . 53.9 t -125.88 111.01 25.43 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.29 0 CA-C-O 120.742 0.306 . . . . 41.42 111.366 -177.258 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -93.54 108.64 20.32 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.676 -0.491 . . . . 51.52 109.676 176.471 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 71.3 mt -94.32 107.14 19.11 Favored 'General case' 0 C--O 1.237 0.423 0 CA-C-O 121.313 0.577 . . . . 73.33 110.396 179.71 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.515 ' HA ' HG13 ' A' ' 137' ' ' VAL . 34.9 ttm180 -99.64 118.44 36.18 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.021 -0.991 . . . . 73.43 110.231 -177.183 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 45.5 t -112.82 104.92 17.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 120.479 0.181 . . . . 72.23 111.233 -173.062 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -102.94 101.37 11.39 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.965 -0.383 . . . . 73.1 109.965 176.456 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.817 HD23 HD22 ' A' ' 106' ' ' LEU . 28.9 tp -114.18 120.97 37.43 Favored Pre-proline 0 C--N 1.33 -0.276 0 N-CA-C 109.302 -0.629 . . . . 73.31 109.302 179.274 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' PRO . . . . . 0.553 ' HD2' HD12 ' A' ' 103' ' ' LEU . 45.9 Cg_endo -72.23 148.99 50.72 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.522 2.148 . . . . 73.52 112.313 -177.926 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 74.88 15.28 80.99 Favored Glycine 0 C--N 1.332 0.327 0 CA-C-N 115.862 -0.608 . . . . 54.45 112.269 -178.695 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.817 HD22 HD23 ' A' ' 103' ' ' LEU . 44.4 tp -129.97 143.27 50.71 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 122.618 0.367 . . . . 65.03 111.356 -174.482 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -80.8 166.7 20.72 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 116.205 -0.452 . . . . 72.42 110.802 178.324 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -68.63 -44.11 74.89 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.606 -0.724 . . . . 74.35 110.37 171.182 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -64.42 -47.79 77.81 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 115.762 -0.654 . . . . 64.13 110.791 -176.901 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.574 ' O ' HG22 ' A' ' 113' ' ' THR . . . -69.15 -41.2 77.6 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.847 -0.615 . . . . 73.25 109.919 178.786 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 111' ' ' ALA . . . . . 0.523 ' HA ' HD21 ' A' ' 106' ' ' LEU . . . -54.53 -43.84 72.27 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.134 -0.484 . . . . 54.13 111.226 177.77 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.458 ' HA ' HG11 ' A' ' 138' ' ' VAL . 44.8 mttp -53.7 -43.52 69.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.456 -0.338 . . . . 74.23 111.334 177.925 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 113' ' ' THR . . . . . 0.574 HG22 ' O ' ' A' ' 110' ' ' ALA . 1.0 OUTLIER -74.54 -35.24 63.12 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 120.809 -0.356 . . . . 74.22 110.634 -177.231 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.413 ' HG ' ' O ' ' A' ' 110' ' ' ALA . 53.4 mt -69.35 -47.01 65.62 Favored 'General case' 0 C--O 1.231 0.119 0 CA-C-O 120.776 0.322 . . . . 61.01 110.554 -178.625 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 66.4 t -65.4 -35.25 74.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.112 -0.494 . . . . 72.22 110.016 177.706 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -59.32 -57.29 13.67 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 115.623 -0.717 . . . . 63.5 110.531 178.511 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 11.3 ptm180 -66.03 -39.47 90.2 Favored 'General case' 0 CA--C 1.528 0.115 0 CA-C-N 115.987 -0.551 . . . . 65.24 110.909 -177.263 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -60.17 -49.79 76.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.239 0.542 . . . . 63.41 110.554 178.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 83.1 t60 -71.68 -9.73 58.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.584 -0.735 . . . . 74.13 110.659 -179.738 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 4.9 t-80 -91.45 -39.67 11.84 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 115.686 -0.688 . . . . 75.14 111.04 177.436 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 31.1 m -79.4 -44.04 23.74 Favored 'Isoleucine or valine' 0 C--O 1.237 0.396 0 N-CA-C 111.974 0.361 . . . . 74.54 111.974 -173.512 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 44.9 t -150.15 84.94 5.61 Favored Pre-proline 0 CA--C 1.533 0.326 0 CA-C-O 120.826 0.346 . . . . 72.12 111.879 -175.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 95.6 Cg_endo -87.91 -178.74 2.31 Favored 'Trans proline' 0 CA--C 1.535 0.57 0 C-N-CA 122.818 2.346 . . . . 74.45 110.883 169.006 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -76.92 -8.71 57.87 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-O 121.179 0.514 . . . . 65.44 110.231 -179.697 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 125' ' ' SER . . . . . 0.635 ' HB3' ' HB ' ' A' ' 128' ' ' THR . 29.2 t 179.44 153.91 0.46 Allowed 'General case' 0 C--O 1.234 0.253 0 N-CA-C 108.495 -0.928 . . . . 62.44 108.495 179.466 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 126' ' ' ASN . . . . . 0.407 ' OD1' ' N ' ' A' ' 127' ' ' ALA . 36.6 p30 -69.22 -31.83 70.69 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.602 0.715 . . . . 73.42 109.214 177.04 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 127' ' ' ALA . . . . . 0.727 ' HB3' ' HB2' ' B' ' 127' ' ' ALA . . . -88.07 4.77 44.05 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.173 -0.922 . . . . 54.1 112.069 -178.461 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 128' ' ' THR . . . . . 0.635 ' HB ' ' HB3' ' A' ' 125' ' ' SER . 2.8 t -87.19 -3.75 59.07 Favored 'General case' 0 CA--C 1.513 -0.446 0 N-CA-C 107.752 -1.203 . . . . 73.21 107.752 -176.308 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 21.0 ptt180 -127.3 -42.99 1.65 Allowed 'General case' 0 N--CA 1.438 -1.036 0 CA-C-N 113.952 -1.476 . . . . 72.04 110.087 178.77 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 82.3 m-20 -78.6 -29.31 45.99 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 115.504 -0.771 . . . . 71.52 111.897 -178.062 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 131' ' ' ASN . . . . . 0.489 ' HB3' ' O ' ' A' ' 127' ' ' ALA . 65.7 t30 -101.32 -40.47 7.1 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 121.266 0.555 . . . . 72.12 109.871 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 39.4 t -97.26 125.85 50.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.3 -0.864 . . . . 70.22 109.833 -178.444 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -69.16 104.01 2.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.049 0.452 . . . . 45.42 110.748 -178.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 134' ' ' VAL . . . . . 0.527 HG22 ' HB ' ' A' ' 97' ' ' VAL . 74.2 t -114.16 125.16 71.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.813 -0.631 . . . . 75.02 110.858 -179.616 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 12.9 mmt180 -92.54 117.89 30.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.668 -0.696 . . . . 72.41 109.201 178.741 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 45.8 mt -88.31 113.0 23.47 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.204 0.526 . . . . 50.04 110.279 176.662 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 137' ' ' VAL . . . . . 0.515 HG13 ' HA ' ' A' ' 100' ' ' ARG . 0.2 OUTLIER -126.66 113.53 33.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 115.33 -0.85 . . . . 74.42 109.978 -179.227 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 138' ' ' VAL . . . . . 0.458 HG11 ' HA ' ' A' ' 112' ' ' LYS . 4.4 m -98.38 138.87 21.75 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-N 115.756 -0.656 . . . . 53.11 110.337 -178.3 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.313 -0.994 0 CA-C-N 115.118 -0.946 . . . . 73.13 110.83 -175.633 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.434 ' HE3' HD13 ' B' ' 3' ' ' ILE . 17.2 ptt? . . . . . 0 C--O 1.234 0.25 0 CA-C-O 120.858 0.361 . . . . 72.42 110.9 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 2' ' ' ASN . . . . . 0.584 ' O ' ' HD2' ' A' ' 87' ' ' PRO . 38.9 t30 -75.29 80.03 2.39 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-O 121.12 0.486 . . . . 61.35 110.667 176.557 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 3' ' ' ILE . . . . . 0.541 HG21 ' HB2' ' B' ' 6' ' ' LYS . 29.2 mm -73.95 136.55 25.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 115.981 -0.554 . . . . 72.42 111.26 174.872 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.678 ' HG ' ' HD3' ' A' ' 87' ' ' PRO . 92.4 mt -88.76 -46.13 9.23 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.762 -0.654 . . . . 75.25 110.1 174.925 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 5' ' ' TYR . . . . . . . . . . . . . 38.2 t80 -136.42 126.41 26.0 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 116.116 -0.493 . . . . 75.45 110.546 -177.867 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 6' ' ' LYS . . . . . 0.541 ' HB2' HG21 ' B' ' 3' ' ' ILE . 30.5 ttmt -136.19 141.37 44.01 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 121.13 0.49 . . . . 65.01 111.211 178.309 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 6.2 t -138.9 156.71 47.06 Favored 'General case' 0 C--O 1.238 0.448 0 CA-C-N 115.421 -0.809 . . . . 72.52 109.45 178.41 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 8' ' ' ALA . . . . . 0.47 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . . . -118.29 134.7 54.81 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-O 121.06 0.457 . . . . 64.22 111.371 -177.329 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 9' ' ' ALA . . . . . 0.458 ' HA ' ' HA ' ' B' ' 21' ' ' SER . . . -129.14 121.29 27.44 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.924 -0.58 . . . . 31.45 109.805 176.597 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 10' ' ' THR . . . . . 0.546 ' HA ' ' HA ' ' A' ' 80' ' ' THR . 12.6 t -99.98 146.4 26.75 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.854 0.359 . . . . 64.31 110.032 -178.195 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 11' ' ' SER . . . . . 0.615 ' HA ' ' O ' ' B' ' 18' ' ' ARG . 77.2 p -128.71 114.36 16.52 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.203 -0.453 . . . . 74.14 110.188 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 12' ' ' THR . . . . . 0.507 ' HA ' HG22 ' A' ' 78' ' ' THR . 5.3 m -91.86 157.95 16.58 Favored 'General case' 0 C--O 1.238 0.49 0 CA-C-N 115.938 -0.574 . . . . 53.42 110.49 -179.43 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -82.07 73.55 2.62 Favored Glycine 0 N--CA 1.443 -0.891 0 C-N-CA 120.79 -0.719 . . . . 71.12 112.653 177.105 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -67.61 -134.28 0.04 OUTLIER Glycine 0 C--N 1.334 0.449 0 N-CA-C 110.992 -0.843 . . . . 73.4 110.992 173.093 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 15' ' ' ARG . . . . . 0.401 ' HD2' ' HA ' ' B' ' 15' ' ' ARG . 12.3 mmm180 -60.36 -55.37 34.44 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 117.963 0.882 . . . . 65.14 109.245 173.787 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 16' ' ' ASP . . . . . 0.541 ' HB3' ' HA ' ' B' ' 31' ' ' SER . 37.6 t0 -126.63 -43.69 1.72 Allowed 'General case' 0 CA--C 1.518 -0.26 0 C-N-CA 120.77 -0.372 . . . . 65.33 111.176 167.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -151.79 140.81 8.04 Favored Glycine 0 N--CA 1.446 -0.651 0 C-N-CA 119.473 -1.346 . . . . 74.22 112.95 176.083 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 18' ' ' ARG . . . . . 0.615 ' O ' ' HA ' ' B' ' 11' ' ' SER . 11.7 tpt180 -123.46 105.21 9.6 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 108.605 -0.887 . . . . 74.4 108.605 174.677 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 19' ' ' ALA . . . . . 0.518 ' HB1' ' HB1' ' A' ' 52' ' ' ALA . . . -98.46 123.87 42.84 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 110.158 -0.312 . . . . 64.21 110.158 -175.262 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 32.0 m -141.13 115.29 9.28 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.322 -0.399 . . . . 75.11 110.669 -175.378 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 21' ' ' SER . . . . . 0.588 ' HB3' ' N ' ' B' ' 26' ' ' LEU . 31.4 t -71.32 110.69 6.1 Favored 'General case' 0 C--O 1.249 1.068 0 N-CA-C 108.063 -1.088 . . . . 74.21 108.063 176.78 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 22' ' ' HIS . . . . . 0.442 ' C ' ' H ' ' B' ' 24' ' ' GLN . 45.2 t60 -54.17 -20.74 7.29 Favored 'General case' 0 C--N 1.35 0.625 0 O-C-N 126.646 2.466 . . . . 73.12 112.247 -172.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -80.13 17.64 0.98 Allowed 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.509 -0.552 . . . . 63.54 109.509 176.731 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 24' ' ' GLN . . . . . 0.442 ' H ' ' C ' ' B' ' 22' ' ' HIS . 28.4 mm-40 63.13 21.92 13.12 Favored 'General case' 0 CA--C 1.519 -0.227 0 CA-C-N 115.291 -0.868 . . . . 71.43 109.935 178.87 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 32.5 mmtp -90.11 -26.8 20.03 Favored 'General case' 0 N--CA 1.45 -0.475 0 CA-C-N 115.061 -0.972 . . . . 41.25 111.074 -178.265 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 26' ' ' LEU . . . . . 0.588 ' N ' ' HB3' ' B' ' 21' ' ' SER . 55.2 tp -142.09 145.02 33.83 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 119.403 -0.919 . . . . 71.52 111.918 -176.318 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -156.48 100.32 1.95 Allowed 'General case' 0 CA--C 1.535 0.39 0 O-C-N 124.279 0.987 . . . . 53.33 110.098 177.481 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 3.2 m -148.66 178.16 0.81 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.503 0 CA-C-N 115.478 -0.783 . . . . 74.12 111.23 177.071 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 18.0 ttpt -139.03 141.48 38.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.552 -0.749 . . . . 64.31 110.126 -179.114 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 30' ' ' LEU . . . . . 0.562 ' N ' HD13 ' B' ' 30' ' ' LEU . 0.0 OUTLIER -132.67 173.82 10.95 Favored 'General case' 0 C--O 1.251 1.144 0 CA-C-O 120.65 0.262 . . . . 72.32 111.125 177.519 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 31' ' ' SER . . . . . 0.541 ' HA ' ' HB3' ' B' ' 16' ' ' ASP . 56.7 p -167.77 135.33 2.29 Favored 'General case' 0 N--CA 1.456 -0.17 0 CA-C-N 115.77 -0.65 . . . . 62.35 111.959 -178.886 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -75.21 131.35 78.41 Favored Pre-proline 0 C--O 1.241 0.641 0 CA-C-N 115.95 -0.568 . . . . 75.13 110.324 174.333 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 33' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -54.66 134.93 64.97 Favored 'Trans proline' 0 C--N 1.349 0.59 0 C-N-CA 123.015 2.477 . . . . 71.3 112.761 -179.127 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.99 -15.96 58.04 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 116.092 -0.504 . . . . 71.43 111.001 178.017 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -49.82 -33.33 16.41 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 115.895 -0.593 . . . . 72.42 111.504 179.428 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 16.9 mt -106.45 11.67 30.52 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.6 -0.727 . . . . 63.52 110.913 -173.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 85.05 31.65 22.64 Favored Glycine 0 C--N 1.331 0.301 0 CA-C-N 115.828 -0.624 . . . . 51.22 111.762 -175.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -87.91 -133.06 4.06 Favored Glycine 0 C--N 1.334 0.471 0 C-N-CA 121.327 -0.463 . . . . 64.12 112.134 -177.454 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -102.61 -42.45 5.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.741 0.305 . . . . 71.25 111.111 -176.549 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 78.24 95.09 0.25 Allowed Glycine 0 N--CA 1.446 -0.683 0 C-N-CA 120.73 -0.748 . . . . 53.13 111.493 -179.278 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 41' ' ' ALA . . . . . 0.424 ' HB3' ' CB ' ' B' ' 31' ' ' SER . . . -159.17 -170.35 2.96 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.893 0.378 . . . . 45.11 111.943 -177.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -91.75 5.97 47.79 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 115.295 -0.866 . . . . 74.14 111.761 -174.272 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -80.92 -168.46 39.59 Favored Glycine 0 CA--C 1.517 0.203 0 C-N-CA 120.894 -0.669 . . . . 72.12 113.057 -173.069 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 44' ' ' THR . . . . . 0.551 ' H ' ' HA ' ' B' ' 30' ' ' LEU . 6.7 t -108.28 166.88 10.42 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.331 -0.618 . . . . 35.03 109.331 178.725 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 45' ' ' ASN . . . . . 0.699 ' HB2' ' HB3' ' B' ' 48' ' ' GLN . 2.7 m-20 -78.08 138.84 60.74 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 120.446 0.165 . . . . 71.14 111.219 -175.295 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 46' ' ' PRO . . . . . 0.639 ' HB3' ' SG ' ' A' ' 57' ' ' CYS . 26.0 Cg_exo -63.67 -52.31 1.92 Allowed 'Trans proline' 0 C--O 1.241 0.629 0 C-N-CA 123.079 2.519 . . . . 54.41 112.613 179.146 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 47' ' ' GLU . . . . . 0.427 ' OE2' ' HB3' ' B' ' 45' ' ' ASN . 3.3 pm0 -66.8 -33.46 75.67 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 121.085 0.469 . . . . 73.03 109.869 -178.054 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 48' ' ' GLN . . . . . 0.699 ' HB3' ' HB2' ' B' ' 45' ' ' ASN . 0.7 OUTLIER -64.78 -35.83 82.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.61 -0.723 . . . . 65.22 110.315 173.555 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -65.08 -51.09 63.43 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-N 116.034 -0.53 . . . . 73.15 109.664 179.278 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 75.1 t80 -59.92 -46.72 88.47 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 116.51 -0.313 . . . . 74.53 110.333 177.234 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 51' ' ' ALA . . . . . 0.544 ' HB1' ' HB1' ' B' ' 81' ' ' ALA . . . -56.45 -53.45 57.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.232 -0.44 . . . . 63.22 111.393 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 52' ' ' ALA . . . . . 0.696 ' HB1' ' HB1' ' A' ' 19' ' ' ALA . . . -61.65 -48.46 80.74 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 116.313 -0.403 . . . . 74.31 110.737 -177.893 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -61.42 -44.1 98.47 Favored Glycine 0 C--N 1.331 0.273 0 CA-C-N 115.877 -0.601 . . . . 73.22 112.198 -179.638 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -68.59 -36.2 78.39 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 122.496 0.318 . . . . 73.14 110.741 -179.335 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 55' ' ' SER . . . . . 0.541 ' OG ' ' HB2' ' B' ' 81' ' ' ALA . 66.3 m -66.93 -44.47 80.6 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.757 0.313 . . . . 71.55 110.626 179.768 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 56' ' ' ALA . . . . . 0.473 ' HB1' HD21 ' A' ' 30' ' ' LEU . . . -67.59 -41.77 83.55 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.164 0.507 . . . . 72.32 109.914 175.618 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 57' ' ' CYS . . . . . . . . . . . . . 41.2 t -59.64 -36.17 75.84 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.418 -0.81 . . . . 72.4 110.504 177.892 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 28.1 t80 -57.03 -34.7 68.47 Favored 'General case' 0 CA--C 1.529 0.148 0 CA-C-N 116.004 -0.544 . . . . 52.32 110.204 -177.654 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -68.06 -47.87 67.16 Favored 'General case' 0 CA--C 1.53 0.176 0 N-CA-C 109.319 -0.623 . . . . 64.41 109.319 177.63 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 15.1 m -56.31 -51.28 68.79 Favored 'General case' 0 C--O 1.243 0.763 0 CA-C-N 116.107 -0.497 . . . . 73.23 110.694 178.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 61' ' ' ALA . . . . . 0.536 ' HB1' ' SG ' ' B' ' 122' ' ' CYS . . . -58.84 -50.59 73.43 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.441 -0.799 . . . . 44.1 110.39 179.435 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 62' ' ' MET . . . . . 0.412 ' SD ' ' HB1' ' B' ' 118' ' ' ALA . 10.4 mtp -66.67 -23.11 66.1 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.458 -0.337 . . . . 71.0 111.318 179.477 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 63' ' ' LYS . . . . . 0.529 ' HZ3' ' HB3' ' B' ' 63' ' ' LYS . 6.3 ttpm? -67.57 -47.68 69.08 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 108.878 -0.786 . . . . 72.03 108.878 175.883 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 77.9 t80 -60.51 -48.46 81.65 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 115.454 -0.794 . . . . 73.11 110.101 175.191 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 44.0 t -57.35 -47.9 83.66 Favored 'Isoleucine or valine' 0 C--O 1.233 0.192 0 CA-C-N 115.629 -0.714 . . . . 75.05 111.304 179.461 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -58.15 -33.17 68.9 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.125 -0.489 . . . . 74.13 110.531 179.719 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -70.1 -28.71 71.26 Favored Glycine 0 N--CA 1.449 -0.439 0 CA-C-N 115.506 -0.77 . . . . 75.04 112.157 -176.483 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -98.9 -14.49 19.55 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.068 0.461 . . . . 64.5 110.313 179.203 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 7.4 m-80 -92.08 2.42 56.59 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 115.833 -0.621 . . . . 65.21 111.002 177.324 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 2.5 mptp? 64.15 25.3 13.66 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 115.788 -0.642 . . . . 73.12 111.518 175.753 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -119.87 165.67 14.3 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.743 -0.662 . . . . 74.24 110.273 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 19.4 p -125.24 139.54 53.64 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.385 -0.371 . . . . 74.12 110.582 179.389 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 73' ' ' LEU . . . . . 0.485 ' HA ' ' HD3' ' B' ' 74' ' ' PRO . 96.6 mt -109.46 139.34 21.03 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.271 -0.422 . . . . 75.15 110.493 179.202 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 74' ' ' PRO . . . . . 0.485 ' HD3' ' HA ' ' B' ' 73' ' ' LEU . 19.5 Cg_exo -67.42 129.67 20.72 Favored 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 122.941 2.427 . . . . 62.01 112.045 179.702 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -77.08 -12.24 59.91 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-O 121.014 0.435 . . . . 71.53 111.061 178.595 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -81.4 2.64 27.61 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-O 121.539 0.685 . . . . 60.22 111.093 -179.75 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 77' ' ' THR . . . . . 0.449 ' HA ' ' HD3' ' B' ' 104' ' ' PRO . 9.7 t -70.86 164.93 24.31 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.777 -0.647 . . . . 73.25 112.054 -175.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 28.2 m -145.65 149.38 34.38 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.49 -0.777 . . . . 71.23 109.746 176.646 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 57.4 t -128.42 151.95 35.9 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 N-CA-C 108.305 -0.998 . . . . 54.24 108.305 177.248 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 26.3 m -136.27 112.03 9.45 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.795 0.331 . . . . 72.42 110.619 176.596 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 81' ' ' ALA . . . . . 0.544 ' HB1' ' HB1' ' B' ' 51' ' ' ALA . . . -93.44 104.79 16.91 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.061 -0.518 . . . . 73.43 110.027 177.334 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -101.66 107.55 18.82 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.248 -0.649 . . . . 71.23 109.248 178.663 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 83' ' ' VAL . . . . . 0.464 HG12 ' HB ' ' B' ' 97' ' ' VAL . 18.3 m -102.85 136.78 33.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 120.979 0.419 . . . . 71.44 111.039 -176.729 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 84' ' ' GLY . . . . . . . . . . . . . . . -134.52 151.52 20.37 Favored Glycine 0 N--CA 1.44 -1.053 0 N-CA-C 110.894 -0.882 . . . . 52.45 110.894 175.603 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -131.9 129.66 60.92 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.815 0 N-CA-C 108.996 -0.742 . . . . 73.1 108.996 -179.439 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 86' ' ' GLY . . . . . 0.425 ' HA2' ' HG ' ' A' ' 4' ' ' LEU . . . -150.54 169.71 30.43 Favored Glycine 0 C--N 1.329 0.147 0 O-C-N 124.239 0.962 . . . . 52.3 111.152 -178.485 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 87' ' ' PRO . . . . . 0.614 ' HD3' ' HG ' ' A' ' 4' ' ' LEU . 92.5 Cg_endo -81.61 141.74 12.52 Favored 'Trans proline' 0 N--CA 1.458 -0.583 0 C-N-CA 122.388 2.059 . . . . 61.3 112.095 -177.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 88' ' ' ASN . . . . . . . . . . . . . 32.9 p30 -95.24 168.19 10.89 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.883 -0.598 . . . . 72.3 109.889 177.411 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -63.86 -17.43 63.15 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.426 -0.352 . . . . 65.22 111.653 -178.114 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -75.4 -24.48 57.18 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 121.14 0.495 . . . . 74.05 110.485 177.44 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.41 8.3 38.32 Favored Glycine 0 C--O 1.237 0.297 0 CA-C-N 115.935 -0.575 . . . . 72.2 112.506 178.79 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . -105.09 -166.95 24.03 Favored Glycine 0 N--CA 1.451 -0.337 0 N-CA-C 110.904 -0.879 . . . . 70.13 110.904 176.437 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 93' ' ' PHE . . . . . 0.408 ' HE1' ' CZ ' ' A' ' 64' ' ' PHE . 40.9 m-85 -98.04 149.61 22.29 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.027 0.441 . . . . 73.12 110.555 179.31 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -135.84 132.66 36.92 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.538 -0.755 . . . . 62.21 109.651 -178.846 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -101.9 118.37 36.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.986 -0.552 . . . . 74.21 110.649 -178.517 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 96' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -110.21 110.27 21.05 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.395 -0.82 . . . . 73.53 109.123 176.477 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 97' ' ' VAL . . . . . 0.493 HG13 ' HA ' ' B' ' 134' ' ' VAL . 1.5 p -112.34 110.82 33.62 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-O 121.572 0.701 . . . . 65.34 110.178 179.23 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -93.53 108.0 19.76 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.261 -0.881 . . . . 74.42 109.112 -178.743 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 22.4 tp -98.22 112.46 24.43 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.793 -0.639 . . . . 61.12 110.338 -173.132 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 100' ' ' ARG . . . . . 0.532 ' HA ' HG13 ' B' ' 137' ' ' VAL . 65.7 ttt180 -99.24 121.71 41.42 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.184 -0.462 . . . . 64.11 110.513 -176.741 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 101' ' ' VAL . . . . . . . . . . . . . 91.3 t -105.1 101.74 12.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.824 -0.626 . . . . 60.12 110.715 -177.409 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 102' ' ' ALA . . . . . 0.494 ' HA ' ' HB3' ' B' ' 139' ' ' ALA . . . -96.32 101.16 12.76 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.909 0.385 . . . . 53.32 110.017 177.371 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 103' ' ' LEU . . . . . 0.446 ' HB2' HD23 ' B' ' 106' ' ' LEU . 19.5 mt -111.02 118.75 47.44 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 115.92 -0.582 . . . . 72.24 109.715 179.764 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 104' ' ' PRO . . . . . 0.449 ' HD3' ' HA ' ' B' ' 77' ' ' THR . 57.7 Cg_endo -71.21 146.16 50.68 Favored 'Trans proline' 0 N--CA 1.461 -0.397 0 C-N-CA 122.497 2.132 . . . . 74.24 112.449 -177.496 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 105' ' ' GLY . . . . . . . . . . . . . . . 69.66 15.0 70.58 Favored Glycine 0 CA--C 1.521 0.429 0 CA-C-N 115.045 -0.979 . . . . 72.34 112.667 -179.019 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 106' ' ' LEU . . . . . 0.446 HD23 ' HB2' ' B' ' 103' ' ' LEU . 31.9 tp -123.36 135.82 54.35 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.264 0.554 . . . . 60.53 111.353 -177.599 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -76.44 148.54 37.2 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.092 -0.958 . . . . 63.12 110.643 177.801 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 108' ' ' ALA . . . . . 0.461 ' O ' ' HG3' ' B' ' 112' ' ' LYS . . . -64.46 -40.73 96.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.487 -0.324 . . . . 34.32 110.573 178.524 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -55.64 -50.52 69.97 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 115.933 -0.576 . . . . 64.51 110.808 179.647 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 110' ' ' ALA . . . . . 0.498 ' O ' HG22 ' B' ' 113' ' ' THR . . . -68.81 -41.99 77.89 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-O 121.127 0.489 . . . . 72.03 110.367 178.524 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 111' ' ' ALA . . . . . 0.403 ' O ' HG23 ' B' ' 115' ' ' VAL . . . -55.62 -35.86 66.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.741 -0.663 . . . . 64.14 111.173 -178.612 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 112' ' ' LYS . . . . . 0.461 ' HG3' ' O ' ' B' ' 108' ' ' ALA . 55.9 mtpt -54.07 -43.53 70.37 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 116.331 -0.395 . . . . 74.45 111.438 178.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 113' ' ' THR . . . . . 0.498 HG22 ' O ' ' B' ' 110' ' ' ALA . 1.5 t -81.64 -34.71 30.67 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.872 0.367 . . . . 72.03 110.251 -178.883 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 114' ' ' LEU . . . . . 0.466 ' HG ' ' O ' ' B' ' 110' ' ' ALA . 39.4 mt -63.27 -42.53 99.14 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-N 116.207 -0.451 . . . . 70.23 110.931 -179.57 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 115' ' ' VAL . . . . . 0.495 HG21 HG12 ' B' ' 138' ' ' VAL . 85.4 t -70.08 -32.68 52.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.378 -0.374 . . . . 63.55 110.332 178.445 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -61.06 -61.08 2.83 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 121.144 0.497 . . . . 75.43 110.013 177.417 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 117' ' ' ARG . . . . . 0.463 ' HG2' ' O ' ' B' ' 113' ' ' THR . 7.8 ptm180 -59.41 -43.66 92.96 Favored 'General case' 0 C--O 1.224 -0.253 0 CA-C-N 115.456 -0.793 . . . . 70.2 110.8 -178.916 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 118' ' ' ALA . . . . . 0.412 ' HB1' ' SD ' ' B' ' 62' ' ' MET . . . -58.8 -54.0 52.04 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-O 120.948 0.404 . . . . 61.11 111.24 -179.87 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 119' ' ' HIS . . . . . 0.518 ' NE2' HG23 ' B' ' 128' ' ' THR . 33.4 t60 -71.46 -0.85 11.37 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 116.016 -0.538 . . . . 74.31 110.895 -177.181 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 24.9 t60 -108.4 -40.01 5.27 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 116.209 -0.45 . . . . 61.52 111.71 178.235 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 35.0 m -80.03 -36.31 16.72 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.313 0 N-CA-C 111.394 0.146 . . . . 63.42 111.394 -174.381 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 122' ' ' CYS . . . . . 0.536 ' SG ' ' HB1' ' B' ' 61' ' ' ALA . 52.4 t -140.51 67.5 30.63 Favored Pre-proline 0 C--O 1.234 0.288 0 CA-C-O 121.003 0.43 . . . . 74.53 111.474 -178.42 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 123' ' ' PRO . . . . . . . . . . . . . 68.7 Cg_endo -91.45 155.24 3.64 Favored 'Trans proline' 0 N--CA 1.452 -0.942 0 C-N-CA 122.786 2.324 . . . . 65.25 110.792 171.246 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 124' ' ' TYR . . . . . 0.48 ' HE1' ' CG ' ' A' ' 50' ' ' PHE . 5.0 t80 -61.47 -29.73 70.15 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-O 121.357 0.598 . . . . 65.35 109.548 178.504 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 125' ' ' SER . . . . . 0.455 ' O ' HG22 ' B' ' 128' ' ' THR . 51.1 m -156.67 140.9 16.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.226 -0.897 . . . . 64.23 108.797 174.445 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 126' ' ' ASN . . . . . 0.488 ' O ' ' HG2' ' B' ' 129' ' ' ARG . 20.0 m120 -56.51 -31.35 64.0 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-O 121.618 0.723 . . . . 74.24 110.517 177.397 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 127' ' ' ALA . . . . . 0.727 ' HB2' ' HB3' ' A' ' 127' ' ' ALA . . . -64.19 -1.67 1.71 Allowed 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.264 -0.88 . . . . 65.3 112.369 179.712 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 128' ' ' THR . . . . . 0.518 HG23 ' NE2' ' B' ' 119' ' ' HIS . 6.2 t -88.88 4.08 49.07 Favored 'General case' 0 CA--C 1.508 -0.639 0 N-CA-C 108.189 -1.041 . . . . 55.14 108.189 -168.552 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 129' ' ' ARG . . . . . 0.488 ' HG2' ' O ' ' B' ' 126' ' ' ASN . 13.2 ptt180 -128.61 -58.15 1.18 Allowed 'General case' 0 N--CA 1.435 -1.199 0 CA-C-N 115.127 -0.942 . . . . 75.21 111.961 178.109 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 130' ' ' ASN . . . . . . . . . . . . . 2.8 p30 -78.75 -33.15 46.75 Favored 'General case' 0 CA--C 1.512 -0.505 0 CA-C-O 122.176 0.989 . . . . 74.14 112.347 -176.342 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 131' ' ' ASN . . . . . 0.482 ' HB3' ' O ' ' B' ' 127' ' ' ALA . 3.7 t-20 -90.41 -44.16 9.82 Favored 'General case' 0 C--N 1.302 -1.47 0 CA-C-N 113.981 -1.463 . . . . 75.43 111.292 -176.628 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 132' ' ' VAL . . . . . 0.451 HG23 ' O ' ' B' ' 127' ' ' ALA . 48.0 t -108.07 121.08 60.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.886 -0.597 . . . . 52.13 109.494 -174.565 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 133' ' ' ALA . . . . . 0.403 ' HB1' ' NH2' ' B' ' 135' ' ' ARG . . . -69.4 88.71 0.48 Allowed 'General case' 0 C--O 1.237 0.404 0 CA-C-O 121.503 0.668 . . . . 72.23 111.691 -174.501 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 134' ' ' VAL . . . . . 0.493 ' HA ' HG13 ' B' ' 97' ' ' VAL . 21.9 t -104.8 104.07 16.3 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.668 0 CA-C-N 115.028 -0.987 . . . . 61.1 109.82 174.467 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 135' ' ' ARG . . . . . 0.403 ' NH2' ' HB1' ' B' ' 133' ' ' ALA . 6.3 tpp180 -74.17 101.31 3.92 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.702 -0.681 . . . . 74.32 109.248 -178.836 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 72.6 mt -76.62 121.62 23.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.017 0.437 . . . . 72.41 111.23 -177.323 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 137' ' ' VAL . . . . . 0.532 HG13 ' HA ' ' B' ' 100' ' ' ARG . 0.2 OUTLIER -130.94 129.63 63.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.441 -0.799 . . . . 72.22 109.598 179.369 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 138' ' ' VAL . . . . . 0.495 HG12 HG21 ' B' ' 115' ' ' VAL . 4.1 m -103.77 138.39 28.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 121.455 0.645 . . . . 70.52 110.529 -177.088 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 139' ' ' ALA . . . . . 0.494 ' HB3' ' HA ' ' B' ' 102' ' ' ALA . . . . . . . . 0 C--O 1.247 0.946 0 CA-C-N 115.192 -0.913 . . . . 71.35 110.294 -176.107 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.446 ' HE3' HD13 ' A' ' 3' ' ' ILE . 14.6 ptt? . . . . . 0 N--CA 1.484 1.234 0 CA-C-O 120.732 0.301 . . . . 71.43 110.703 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 46.5 t30 -73.5 76.96 1.44 Allowed 'General case' 0 CA--C 1.53 0.201 0 CA-C-O 121.351 0.596 . . . . 75.52 110.694 178.111 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.543 HG21 ' HB2' ' A' ' 6' ' ' LYS . 40.5 mm -73.95 130.61 35.82 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-N 115.769 -0.65 . . . . 51.02 112.154 177.139 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.633 ' HG ' ' HD3' ' B' ' 87' ' ' PRO . 90.5 mt -82.53 -50.14 9.13 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.252 -0.885 . . . . 74.21 109.962 174.357 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 27.4 t80 -136.49 132.02 34.75 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.016 -0.538 . . . . 54.43 109.645 -178.817 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.543 ' HB2' HG21 ' A' ' 3' ' ' ILE . 32.3 ttmt -131.92 146.54 52.17 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.999 0.428 . . . . 62.42 111.081 178.908 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.465 HG21 ' HB2' ' B' ' 48' ' ' GLN . 10.3 t -147.01 -179.51 6.86 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.363 -0.835 . . . . 73.02 108.91 172.077 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.406 ' O ' ' ND1' ' A' ' 22' ' ' HIS . . . -151.62 161.73 42.18 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.927 0.394 . . . . 64.34 110.661 -176.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -141.52 153.98 45.22 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.001 -0.545 . . . . 65.14 109.716 176.067 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 87.0 m -122.43 109.94 15.01 Favored 'General case' 0 N--CA 1.437 -1.098 0 N-CA-C 109.007 -0.738 . . . . 73.43 109.007 -172.457 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.537 ' HA ' ' O ' ' A' ' 18' ' ' ARG . 70.0 m -109.39 113.15 25.72 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 115.504 -0.771 . . . . 71.32 110.216 -179.209 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 4.0 m -95.47 157.27 15.97 Favored 'General case' 0 C--O 1.239 0.507 0 CA-C-N 115.692 -0.685 . . . . 72.12 110.829 -177.633 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -86.23 75.79 2.21 Favored Glycine 0 N--CA 1.447 -0.572 0 CA-C-N 115.815 -0.63 . . . . 62.44 111.586 175.38 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -65.88 -107.48 0.01 OUTLIER Glycine 0 C--N 1.332 0.356 0 C-N-CA 121.269 -0.491 . . . . 62.02 112.054 177.26 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.436 ' HD3' ' HA ' ' A' ' 15' ' ' ARG . 33.4 mmt180 -88.79 -51.73 5.49 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.86 -0.422 . . . . 73.04 109.86 174.251 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.553 ' HB3' ' HA ' ' A' ' 31' ' ' SER . 20.8 t70 -125.89 -42.48 1.9 Allowed 'General case' 0 N--CA 1.464 0.234 0 N-CA-C 109.831 -0.433 . . . . 74.22 109.831 171.754 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.415 ' O ' ' HG3' ' A' ' 29' ' ' LYS . . . -164.95 153.6 23.89 Favored Glycine 0 C--N 1.338 0.684 0 C-N-CA 120.284 -0.96 . . . . 73.12 111.961 165.846 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.546 ' HA ' ' HA ' ' A' ' 29' ' ' LYS . 0.8 OUTLIER -139.16 110.1 6.78 Favored 'General case' 0 C--O 1.221 -0.414 0 N-CA-C 109.48 -0.563 . . . . 73.24 109.48 178.848 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -109.61 124.13 50.63 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 120.708 0.29 . . . . 71.12 111.14 -174.458 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.487 HG23 ' O ' ' A' ' 26' ' ' LEU . 88.9 m -131.69 116.81 17.8 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.22 -0.446 . . . . 63.53 110.658 -179.118 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.533 ' CB ' ' HB3' ' A' ' 26' ' ' LEU . 28.3 t -69.35 115.06 8.19 Favored 'General case' 0 C--O 1.251 1.157 0 N-CA-C 107.707 -1.22 . . . . 62.3 107.707 176.247 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.413 ' C ' ' H ' ' A' ' 24' ' ' GLN . 3.4 p-80 -55.29 -27.19 45.05 Favored 'General case' 0 N--CA 1.472 0.673 0 O-C-N 126.459 2.349 . . . . 71.44 112.94 -162.083 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -80.45 14.97 1.79 Allowed 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.456 0.646 . . . . 73.43 109.676 -179.05 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.413 ' H ' ' C ' ' A' ' 22' ' ' HIS . 33.4 mm-40 71.41 17.27 5.84 Favored 'General case' 0 CA--C 1.514 -0.436 0 CA-C-N 114.397 -1.274 . . . . 72.53 110.347 173.342 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.446 ' NZ ' ' OD1' ' B' ' 45' ' ' ASN . 47.2 mtmt -89.0 -16.18 32.33 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 115.63 -0.714 . . . . 73.44 110.967 179.369 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.533 ' HB3' ' CB ' ' A' ' 21' ' ' SER . 62.2 tp -143.15 142.37 31.45 Favored 'General case' 0 C--O 1.218 -0.6 0 C-N-CA 119.232 -0.987 . . . . 74.42 110.578 174.047 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -155.65 97.43 1.85 Allowed 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.22 -0.659 . . . . 74.13 109.22 175.183 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 3.6 m -141.49 177.91 3.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 121.376 0.607 . . . . 62.12 111.482 179.367 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.546 ' HA ' ' HA ' ' A' ' 18' ' ' ARG . 17.2 ttmt -138.02 139.5 39.65 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 114.895 -1.048 . . . . 62.42 109.602 179.811 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.566 ' N ' HD13 ' A' ' 30' ' ' LEU . 0.0 OUTLIER -123.44 161.24 25.19 Favored 'General case' 0 C--O 1.251 1.182 0 CA-C-O 121.397 0.618 . . . . 64.12 110.812 179.196 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.553 ' HA ' ' HB3' ' A' ' 16' ' ' ASP . 56.1 m -157.88 119.13 3.54 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 114.518 -1.219 . . . . 75.34 109.414 -176.194 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.27 135.62 96.32 Favored Pre-proline 0 C--N 1.323 -0.548 0 CA-C-N 116.06 -0.518 . . . . 52.21 110.242 -179.547 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_exo -51.55 128.98 27.82 Favored 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 122.244 1.962 . . . . 73.33 111.206 176.546 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.415 ' HB2' ' N ' ' A' ' 40' ' ' GLY . 25.0 tpt180 -66.06 -12.94 58.82 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.941 -0.392 . . . . 50.12 109.941 -177.718 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.421 ' HB3' HD22 ' A' ' 36' ' ' LEU . 11.4 tp10 -51.55 -39.86 58.59 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-N 115.718 -0.674 . . . . 75.14 110.38 173.487 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.461 HD22 ' N ' ' A' ' 36' ' ' LEU . 1.6 mm? -97.57 12.51 33.25 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 116.129 -0.487 . . . . 63.44 110.416 -179.239 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.52 23.81 38.46 Favored Glycine 0 CA--C 1.518 0.235 0 C-N-CA 121.222 -0.513 . . . . 72.22 112.329 -177.479 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -79.52 -126.86 0.57 Allowed Glycine 0 C--N 1.334 0.431 0 C-N-CA 121.32 -0.467 . . . . 73.44 112.067 179.521 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -121.3 -13.74 8.42 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.796 0.298 . . . . 63.22 111.768 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.415 ' N ' ' HB2' ' A' ' 34' ' ' ARG . . . 50.5 35.06 28.4 Favored Glycine 0 CA--C 1.524 0.615 0 C-N-CA 121.468 -0.396 . . . . 45.53 113.449 -176.809 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -99.45 -170.48 1.91 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.907 0.384 . . . . 44.21 111.248 -177.435 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -91.8 83.36 5.25 Favored 'General case' 0 CA--C 1.51 -0.581 0 CA-C-O 122.101 0.953 . . . . 71.23 110.648 -178.059 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -155.88 -162.81 11.64 Favored Glycine 0 C--N 1.306 -1.1 0 CA-C-N 113.709 -1.587 . . . . 55.55 111.516 174.907 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.457 HG22 ' HB3' ' A' ' 30' ' ' LEU . 9.0 t -113.44 179.05 4.07 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.81 -0.441 . . . . 74.01 109.81 175.839 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -104.56 129.1 25.59 Favored Pre-proline 0 C--N 1.33 -0.261 0 N-CA-C 109.475 -0.565 . . . . 72.33 109.475 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.47 ' HB3' ' HB2' ' B' ' 57' ' ' CYS . 88.5 Cg_exo -48.01 -45.49 24.94 Favored 'Trans proline' 0 CA--C 1.535 0.555 0 C-N-CA 123.134 2.556 . . . . 63.04 113.593 -174.724 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.9 mp0 -66.02 -35.83 81.61 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 121.024 0.44 . . . . 62.13 110.343 -177.134 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 13.2 tt0 -67.08 -40.83 87.07 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.809 -0.632 . . . . 72.35 109.535 176.841 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -58.52 -50.48 73.6 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 115.467 -0.788 . . . . 71.11 109.844 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.455 ' CZ ' ' HE1' ' B' ' 124' ' ' TYR . 58.9 t80 -59.72 -52.34 65.9 Favored 'General case' 0 N--CA 1.462 0.142 0 CA-C-N 116.333 -0.394 . . . . 64.45 110.63 177.821 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.639 ' HB1' ' HB1' ' A' ' 81' ' ' ALA . . . -51.7 -50.86 59.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.893 -0.594 . . . . 52.03 111.596 -179.627 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.76 -47.39 86.55 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-O 120.946 0.403 . . . . 51.43 110.685 -179.609 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -62.61 -44.0 98.18 Favored Glycine 0 N--CA 1.451 -0.357 0 CA-C-N 115.714 -0.675 . . . . 45.35 112.594 -178.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -71.14 -36.26 72.02 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 122.172 0.189 . . . . 71.4 110.544 -178.272 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.537 ' OG ' ' HB2' ' A' ' 81' ' ' ALA . 67.7 m -65.95 -45.31 82.25 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.607 0.241 . . . . 50.31 110.42 178.688 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.407 ' HB2' ' HB2' ' B' ' 11' ' ' SER . . . -64.34 -43.66 93.9 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-O 121.372 0.606 . . . . 72.41 109.895 175.324 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 51.5 t -57.62 -36.28 71.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.196 -0.911 . . . . 74.4 110.644 176.873 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 12.0 t80 -55.18 -37.98 67.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.015 -0.539 . . . . 64.12 110.524 -177.778 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -73.37 -32.6 64.59 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.246 -0.434 . . . . 74.12 110.626 178.27 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.47 ' O ' ' HB3' ' A' ' 63' ' ' LYS . 29.9 t -67.6 -43.58 80.13 Favored 'General case' 0 C--O 1.236 0.369 0 N-CA-C 109.503 -0.554 . . . . 74.4 109.503 177.071 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.412 ' HB1' ' SG ' ' A' ' 122' ' ' CYS . . . -60.4 -47.88 84.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.717 -0.674 . . . . 64.15 110.089 175.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 83.5 mmm -64.88 -26.68 68.43 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 115.963 -0.562 . . . . 61.32 110.919 177.299 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.516 ' HE3' ' HA ' ' B' ' 16' ' ' ASP . 19.0 ttmm -64.54 -49.36 71.55 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.156 -0.683 . . . . 62.32 109.156 175.654 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 76.3 t80 -65.3 -43.53 90.84 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 115.257 -0.883 . . . . 70.35 110.51 178.271 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 42.0 t -57.9 -49.59 80.61 Favored 'Isoleucine or valine' 0 C--O 1.233 0.192 0 CA-C-N 116.074 -0.512 . . . . 51.41 110.566 177.818 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -57.44 -33.82 68.33 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.132 -0.485 . . . . 55.45 110.244 178.738 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -66.53 -33.2 83.9 Favored Glycine 0 CA--C 1.518 0.238 0 CA-C-N 115.36 -0.837 . . . . 65.01 112.327 -178.171 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 8.0 pt20 -94.56 -16.18 23.48 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 121.256 0.55 . . . . 73.33 109.806 -179.73 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 11.1 m-80 -93.18 4.68 53.59 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.393 -0.821 . . . . 73.35 110.817 178.113 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.7 mptp? 57.19 34.54 24.96 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-O 121.36 0.6 . . . . 70.5 111.213 174.115 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -130.77 164.14 25.79 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.323 -0.853 . . . . 65.11 110.161 -179.755 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 24.8 p -127.9 136.97 52.11 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.261 -0.427 . . . . 71.13 110.11 177.166 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -109.42 142.98 26.83 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.403 -0.362 . . . . 63.13 110.5 -179.769 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.499 ' O ' HG22 ' A' ' 77' ' ' THR . 76.9 Cg_exo -53.51 132.91 51.17 Favored 'Trans proline' 0 C--N 1.349 0.598 0 C-N-CA 123.122 2.548 . . . . 75.32 112.778 179.024 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -76.99 1.83 16.63 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 121.311 0.577 . . . . 74.43 111.195 177.83 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -90.5 0.73 57.21 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.528 -0.76 . . . . 72.44 111.09 -178.833 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.545 ' OG1' HD22 ' A' ' 103' ' ' LEU . 4.3 t -72.96 152.42 41.39 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.451 -0.795 . . . . 73.42 110.799 -179.067 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 33.7 m -150.25 149.32 30.0 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.916 -0.584 . . . . 65.01 110.074 179.356 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.493 HG22 ' HA ' ' A' ' 101' ' ' VAL . 87.1 t -130.65 123.79 55.54 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 115.902 -0.59 . . . . 73.54 109.492 176.685 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 87.9 m -104.43 115.21 29.97 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.289 -0.414 . . . . 61.0 110.32 -179.466 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.639 ' HB1' ' HB1' ' A' ' 51' ' ' ALA . . . -93.45 113.97 26.25 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.843 -0.617 . . . . 75.0 110.074 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.435 ' HG2' ' HD3' ' B' ' 6' ' ' LYS . 23.0 tt0 -114.86 107.74 15.81 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.241 -0.651 . . . . 74.0 109.241 -176.409 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 54.9 t -100.17 126.63 53.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.502 -0.772 . . . . 74.25 111.443 -171.799 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.456 ' HA2' ' HA ' ' B' ' 6' ' ' LYS . . . -123.9 157.72 18.35 Favored Glycine 0 N--CA 1.442 -0.906 0 N-CA-C 111.723 -0.551 . . . . 64.22 111.723 177.43 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.514 HD11 ' CD2' ' A' ' 93' ' ' PHE . 0.0 OUTLIER -142.59 130.63 20.27 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.787 0 N-CA-C 109.238 -0.653 . . . . 71.32 109.238 179.519 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 86' ' ' GLY . . . . . 0.555 ' HA2' ' HG ' ' B' ' 4' ' ' LEU . . . -139.96 169.91 24.5 Favored Glycine 0 CA--C 1.518 0.271 0 O-C-N 124.229 0.955 . . . . 64.2 111.336 179.679 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.744 ' HD3' ' HG ' ' B' ' 4' ' ' LEU . 85.2 Cg_endo -87.62 141.75 5.66 Favored 'Trans proline' 0 N--CA 1.456 -0.681 0 C-N-CA 122.527 2.152 . . . . 75.13 112.39 -175.76 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 22.2 t-20 -103.35 146.27 28.72 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.732 -0.667 . . . . 63.43 109.39 177.465 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -60.79 -16.01 35.98 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 116.414 -0.357 . . . . 74.31 111.867 -177.06 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -67.57 -24.37 65.51 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 121.069 0.461 . . . . 62.35 110.716 178.133 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.16 34.93 3.54 Favored Glycine 0 N--CA 1.453 -0.198 0 CA-C-N 116.006 -0.543 . . . . 52.42 111.89 -178.034 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -146.8 -171.95 16.59 Favored Glycine 0 N--CA 1.449 -0.45 0 N-CA-C 110.93 -0.868 . . . . 74.12 110.93 178.317 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.514 ' CD2' HD11 ' A' ' 85' ' ' ILE . 47.0 m-85 -97.93 151.73 19.97 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.033 0.444 . . . . 72.25 110.451 179.715 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -132.84 127.83 35.35 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.429 -0.805 . . . . 73.43 109.085 -178.253 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -98.24 139.96 33.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.165 0.507 . . . . 75.45 111.43 -174.191 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -125.42 110.26 13.72 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 114.712 -1.131 . . . . 62.1 108.392 175.744 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 60.6 t -111.81 110.42 32.12 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.057 0 C-N-CA 120.904 -0.318 . . . . 41.42 110.81 -176.096 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.63 ' HG2' ' HD3' ' A' ' 135' ' ' ARG . 45.0 mt-10 -90.38 123.69 34.32 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.21 -0.45 . . . . 51.52 110.307 -178.867 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 75.0 mt -107.93 107.16 17.75 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 108.976 -0.75 . . . . 73.33 108.976 173.553 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.484 ' O ' ' HA ' ' A' ' 79' ' ' VAL . 90.3 mtt-85 -99.05 105.55 17.69 Favored 'General case' 0 CA--C 1.513 -0.478 0 N-CA-C 109.506 -0.553 . . . . 73.43 109.506 -175.877 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.493 ' HA ' HG22 ' A' ' 79' ' ' VAL . 47.1 t -100.2 106.37 19.11 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 CA-C-N 115.34 -0.845 . . . . 72.23 111.122 -171.235 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.525 ' HA ' ' HB3' ' A' ' 139' ' ' ALA . . . -103.16 101.33 11.28 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.934 0.397 . . . . 73.1 109.949 175.666 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.545 HD22 ' OG1' ' A' ' 77' ' ' THR . 0.5 OUTLIER -109.07 114.13 58.43 Favored Pre-proline 0 C--N 1.328 -0.349 0 N-CA-C 108.804 -0.813 . . . . 73.31 108.804 175.909 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 104' ' ' PRO . . . . . 0.492 ' HG2' ' HB2' ' A' ' 74' ' ' PRO . 45.1 Cg_endo -70.63 144.53 49.66 Favored 'Trans proline' 0 N--CA 1.456 -0.727 0 C-N-CA 121.952 1.768 . . . . 73.52 111.899 -177.107 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 70.42 15.13 72.57 Favored Glycine 0 CA--C 1.521 0.42 0 CA-C-N 115.337 -0.847 . . . . 54.45 112.977 -177.662 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 24.8 tp -117.36 137.67 52.3 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-O 121.014 0.435 . . . . 65.03 111.365 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -71.33 144.19 50.0 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-N 115.404 -0.816 . . . . 72.42 110.323 176.036 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -62.79 -43.9 97.59 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.85 0.357 . . . . 74.35 110.596 175.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 0.447 ' HA ' ' HE2' ' A' ' 112' ' ' LYS . . . -55.6 -46.47 77.29 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 115.823 -0.626 . . . . 64.13 110.787 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.429 ' O ' ' HG ' ' A' ' 114' ' ' LEU . . . -72.57 -39.88 67.06 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.959 -0.564 . . . . 73.25 110.25 179.296 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -55.37 -39.5 70.19 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.631 -0.713 . . . . 54.13 111.049 -178.591 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.447 ' HE2' ' HA ' ' A' ' 109' ' ' ALA . 50.8 mtmt -51.29 -49.67 60.82 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.151 -0.477 . . . . 74.23 110.845 178.203 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -75.86 -39.62 56.24 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 116.132 -0.485 . . . . 74.22 110.65 -176.593 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.443 ' HA ' ' HD2' ' A' ' 117' ' ' ARG . 50.8 mt -60.48 -48.85 79.97 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 120.751 0.31 . . . . 61.01 110.538 -177.238 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 98.0 t -64.43 -32.64 58.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.846 -0.615 . . . . 72.22 110.187 177.579 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -65.56 -61.33 2.16 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 116.398 -0.364 . . . . 63.5 110.687 179.51 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' ARG . . . . . 0.453 HH11 ' HD3' ' A' ' 117' ' ' ARG . 2.0 ptp180 -58.59 -38.16 77.36 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-O 120.657 0.265 . . . . 65.24 110.88 -178.603 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -58.39 -44.51 88.96 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.238 0.542 . . . . 63.41 109.904 172.526 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 52.3 t60 -79.1 12.94 2.0 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-N 115.964 -0.562 . . . . 74.13 110.584 177.299 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 120' ' ' HIS . . . . . 0.411 ' HB2' ' O ' ' A' ' 117' ' ' ARG . 7.9 m80 -108.12 -49.15 3.24 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 123.326 0.651 . . . . 75.14 109.43 169.89 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 32.0 m -92.38 -2.91 10.68 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.303 0 CA-C-N 115.762 -0.654 . . . . 74.54 111.739 -173.757 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 122' ' ' CYS . . . . . 0.521 ' N ' ' HD3' ' A' ' 123' ' ' PRO . 65.2 m -137.65 58.15 15.76 Favored Pre-proline 0 CA--C 1.536 0.433 0 CA-C-O 121.003 0.43 . . . . 72.12 110.921 176.536 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 123' ' ' PRO . . . . . 0.521 ' HD3' ' N ' ' A' ' 122' ' ' CYS . 43.0 Cg_endo -99.62 159.84 0.57 Allowed 'Trans proline' 0 N--CA 1.453 -0.896 0 C-N-CA 123.232 2.621 . . . . 74.45 112.398 176.736 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -90.13 -11.61 40.72 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.651 -0.5 . . . . 65.44 109.651 171.393 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 44.9 p 178.16 163.28 0.67 Allowed 'General case' 0 C--O 1.232 0.169 0 CA-C-N 115.308 -0.86 . . . . 62.44 109.34 177.363 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -55.68 -31.23 62.24 Favored 'General case' 0 C--O 1.239 0.539 0 CA-C-O 121.972 0.891 . . . . 73.42 109.057 171.601 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 127' ' ' ALA . . . . . 0.924 ' HB2' ' HB3' ' B' ' 127' ' ' ALA . . . -67.72 6.49 0.65 Allowed 'General case' 0 C--O 1.221 -0.441 0 CA-C-N 114.253 -1.339 . . . . 54.1 112.472 -178.409 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 6.0 t -88.86 -7.74 55.57 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 108.099 -1.075 . . . . 73.21 108.099 -172.411 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 4.2 ptp180 -146.06 -46.64 0.2 Allowed 'General case' 0 N--CA 1.441 -0.924 0 CA-C-N 114.562 -1.199 . . . . 72.04 111.856 -179.215 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 53.0 m-80 -72.19 -51.3 21.8 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.121 -0.491 . . . . 71.52 110.654 -175.024 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -84.92 -39.79 17.77 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.769 -0.651 . . . . 72.12 111.899 -173.738 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 61.9 t -110.52 137.15 44.13 Favored 'Isoleucine or valine' 0 C--O 1.235 0.341 0 CA-C-O 120.839 0.352 . . . . 70.22 110.665 -170.807 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -74.1 89.81 1.99 Allowed 'General case' 0 C--O 1.238 0.475 0 CA-C-O 121.657 0.741 . . . . 45.42 111.591 -177.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 40.2 t -105.71 102.48 13.92 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.766 0 CA-C-N 115.089 -0.959 . . . . 75.02 109.649 172.648 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 135' ' ' ARG . . . . . 0.63 ' HD3' ' HG2' ' A' ' 98' ' ' GLU . 75.9 ttt180 -71.77 97.12 1.72 Allowed 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 114.495 -1.23 . . . . 72.41 110.228 -177.865 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 59.3 mt -74.09 116.01 14.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.761 -0.654 . . . . 50.04 110.553 177.725 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 137' ' ' VAL . . . . . 0.454 ' O ' ' HA ' ' A' ' 100' ' ' ARG . 0.1 OUTLIER -126.41 114.82 39.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 115.534 -0.757 . . . . 74.42 109.859 -178.914 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 10.5 m -102.21 138.68 25.58 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.552 0 CA-C-O 121.506 0.67 . . . . 53.11 111.32 -177.688 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 139' ' ' ALA . . . . . 0.525 ' HB3' ' HA ' ' A' ' 102' ' ' ALA . . . . . . . . 0 C--N 1.313 -1.016 0 CA-C-N 114.346 -1.297 . . . . 73.13 110.697 -177.562 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 28.7 ptm . . . . . 0 C--O 1.234 0.28 0 CA-C-O 120.956 0.407 . . . . 72.42 110.843 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 53.8 t30 -96.06 85.19 3.97 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.781 -0.645 . . . . 61.35 109.839 -179.645 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 3' ' ' ILE . . . . . 0.475 HG21 ' HB2' ' B' ' 6' ' ' LYS . 30.4 mm -69.01 124.23 24.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-N 115.829 -0.623 . . . . 72.42 111.893 -179.143 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.744 ' HG ' ' HD3' ' A' ' 87' ' ' PRO . 87.2 mt -77.37 -40.78 42.69 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.072 -0.967 . . . . 75.25 109.97 174.263 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 5' ' ' TYR . . . . . . . . . . . . . 47.3 t80 -152.2 138.08 18.05 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 115.952 -0.567 . . . . 75.45 110.973 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 6' ' ' LYS . . . . . 0.475 ' HB2' HG21 ' B' ' 3' ' ' ILE . 31.0 ttmt -137.78 129.36 28.19 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.992 0.425 . . . . 65.01 110.755 176.317 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 9.9 t -118.34 164.07 15.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.42 -0.809 . . . . 72.52 109.194 178.528 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -133.21 150.11 51.99 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-O 121.3 0.571 . . . . 64.22 111.885 -175.078 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 9' ' ' ALA . . . . . 0.405 ' HA ' ' H ' ' B' ' 22' ' ' HIS . . . -145.03 116.99 8.28 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.691 -0.686 . . . . 31.45 109.898 177.128 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 9.3 t -92.66 118.07 30.65 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.102 0.477 . . . . 64.31 109.889 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 11' ' ' SER . . . . . 0.407 ' HB2' ' HB2' ' A' ' 56' ' ' ALA . 21.4 p -114.76 117.92 32.13 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.346 -0.388 . . . . 74.14 110.601 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 4.8 m -93.7 156.05 16.91 Favored 'General case' 0 C--O 1.24 0.599 0 CA-C-N 116.279 -0.419 . . . . 53.42 110.923 -178.378 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -83.13 72.29 2.87 Favored Glycine 0 N--CA 1.444 -0.789 0 N-CA-C 111.371 -0.692 . . . . 71.12 111.371 176.13 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -66.44 -154.89 0.31 Allowed Glycine 0 C--N 1.335 0.498 0 C-N-CA 121.042 -0.599 . . . . 73.4 112.408 177.403 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 39.7 ttm180 -53.85 -46.39 71.22 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 120.79 0.329 . . . . 65.14 110.145 -178.049 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 16' ' ' ASP . . . . . 0.516 ' HA ' ' HE3' ' A' ' 63' ' ' LYS . 11.0 t70 -125.75 -43.34 1.86 Allowed 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 109.914 -0.402 . . . . 65.33 109.914 171.671 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 17' ' ' GLY . . . . . 0.507 ' O ' ' HG3' ' B' ' 29' ' ' LYS . . . -171.04 156.49 26.61 Favored Glycine 0 C--N 1.345 1.05 0 C-N-CA 120.465 -0.874 . . . . 74.22 111.446 164.25 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 18' ' ' ARG . . . . . 0.625 ' HA ' ' HA ' ' B' ' 29' ' ' LYS . 0.0 OUTLIER -139.78 134.66 32.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 117.339 0.57 . . . . 74.4 109.797 178.816 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -133.8 128.0 33.84 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 120.74 0.305 . . . . 64.21 111.44 -175.784 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 20' ' ' THR . . . . . 0.432 HG23 ' O ' ' B' ' 26' ' ' LEU . 89.2 m -133.69 117.19 16.69 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.265 -0.425 . . . . 75.11 110.267 177.263 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 21' ' ' SER . . . . . 0.571 ' HB3' ' N ' ' B' ' 26' ' ' LEU . 14.9 t -73.77 113.58 11.08 Favored 'General case' 0 C--O 1.247 0.945 0 N-CA-C 108.467 -0.938 . . . . 74.21 108.467 175.929 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 22' ' ' HIS . . . . . 0.456 ' C ' ' H ' ' B' ' 24' ' ' GLN . 11.4 t-80 -49.98 -32.7 15.72 Favored 'General case' 0 N--CA 1.469 0.481 0 O-C-N 126.302 2.252 . . . . 73.12 112.984 -170.728 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -80.11 19.46 0.73 Allowed 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.194 0.521 . . . . 63.54 109.765 -175.404 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 24' ' ' GLN . . . . . 0.456 ' H ' ' C ' ' B' ' 22' ' ' HIS . 27.8 mm-40 65.77 21.91 11.51 Favored 'General case' 0 CA--C 1.519 -0.242 0 CA-C-N 115.029 -0.987 . . . . 71.43 109.43 178.832 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 25' ' ' LYS . . . . . 0.516 ' HB2' ' OG ' ' B' ' 21' ' ' SER . 9.7 mmpt? -80.66 -30.87 36.51 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 114.794 -1.094 . . . . 41.25 109.89 178.439 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 26' ' ' LEU . . . . . 0.571 ' N ' ' HB3' ' B' ' 21' ' ' SER . 56.9 tp -149.59 148.61 29.55 Favored 'General case' 0 C--N 1.345 0.412 0 C-N-CA 119.92 -0.712 . . . . 71.52 111.191 -177.094 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -158.26 90.86 1.06 Allowed 'General case' 0 N--CA 1.465 0.288 0 O-C-N 123.61 0.569 . . . . 53.33 109.754 174.175 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 28' ' ' VAL . . . . . 0.45 HG22 HD11 ' B' ' 26' ' ' LEU . 5.9 m -146.53 178.1 1.19 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.436 0 CA-C-O 121.473 0.654 . . . . 74.12 111.783 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.625 ' HA ' ' HA ' ' B' ' 18' ' ' ARG . 21.5 tttm -126.29 140.93 52.14 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 114.72 -1.127 . . . . 64.31 109.513 176.863 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 30' ' ' LEU . . . . . 0.549 ' HA ' ' H ' ' B' ' 44' ' ' THR . 0.0 OUTLIER -121.74 165.16 16.24 Favored 'General case' 0 C--O 1.257 1.472 0 CA-C-O 121.089 0.471 . . . . 72.32 110.201 178.129 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 31' ' ' SER . . . . . 0.473 ' HA ' ' HB3' ' B' ' 16' ' ' ASP . 50.1 m -162.18 129.33 3.81 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 115.389 -0.823 . . . . 62.35 111.479 -171.412 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -66.18 145.66 99.0 Favored Pre-proline 0 N--CA 1.453 -0.305 0 CA-C-N 116.011 -0.54 . . . . 75.13 109.815 172.739 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 33' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -68.26 4.83 1.4 Allowed 'Trans proline' 0 C--N 1.348 0.543 0 C-N-CA 122.833 2.356 . . . . 71.3 113.001 -175.279 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 34' ' ' ARG . . . . . 0.536 ' HB2' ' CA ' ' B' ' 40' ' ' GLY . 0.0 OUTLIER 76.23 -42.35 0.44 Allowed 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 123.667 0.787 . . . . 71.43 111.255 177.541 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 16.3 tp10 -43.73 -31.45 0.8 Allowed 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 123.611 0.765 . . . . 72.42 112.969 -173.211 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.539 ' HG ' HD12 ' B' ' 85' ' ' ILE . 1.6 mm? -95.88 -37.41 10.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.888 0.375 . . . . 63.52 110.31 -177.743 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 153.39 54.67 0.01 OUTLIER Glycine 0 C--N 1.331 0.275 0 CA-C-N 115.929 -0.578 . . . . 51.22 112.632 179.629 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 38' ' ' GLY . . . . . 0.454 ' H ' ' HA ' ' B' ' 34' ' ' ARG . . . -122.68 -139.01 5.44 Favored Glycine 0 N--CA 1.449 -0.477 0 N-CA-C 111.148 -0.781 . . . . 64.12 111.148 176.386 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -118.54 -11.34 9.93 Favored 'General case' 0 C--N 1.322 -0.629 0 C-N-CA 122.242 0.217 . . . . 71.25 111.557 -178.236 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 40' ' ' GLY . . . . . 0.536 ' CA ' ' HB2' ' B' ' 34' ' ' ARG . . . 54.3 64.08 4.61 Favored Glycine 0 C--N 1.334 0.42 0 CA-C-N 116.324 -0.398 . . . . 53.13 112.933 -178.281 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 41' ' ' ALA . . . . . 0.414 ' HB3' ' OG ' ' B' ' 31' ' ' SER . . . -114.75 172.15 7.21 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.019 0.437 . . . . 45.11 111.635 -177.056 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -66.55 77.29 0.11 Allowed 'General case' 0 CA--C 1.538 0.495 0 CA-C-N 115.441 -0.799 . . . . 74.14 111.226 177.541 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -159.57 -178.51 33.64 Favored Glycine 0 N--CA 1.453 -0.183 0 C-N-CA 120.533 -0.841 . . . . 72.12 113.107 177.701 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 44' ' ' THR . . . . . 0.549 ' H ' ' HA ' ' B' ' 30' ' ' LEU . 30.3 m -90.6 140.57 29.63 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 110.171 -0.307 . . . . 35.03 110.171 -178.763 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 45' ' ' ASN . . . . . 0.766 ' HB2' ' HB3' ' B' ' 48' ' ' GLN . 1.3 m-20 -61.07 138.66 94.3 Favored Pre-proline 0 C--N 1.328 -0.339 0 N-CA-C 109.63 -0.507 . . . . 71.14 109.63 178.325 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 46' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -58.03 -50.24 10.64 Favored 'Trans proline' 0 C--N 1.348 0.551 0 C-N-CA 122.655 2.237 . . . . 54.41 112.528 -179.541 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 47' ' ' GLU . . . . . 0.43 ' OE1' ' HB3' ' B' ' 45' ' ' ASN . 0.0 OUTLIER -64.05 -43.06 96.67 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-O 120.811 0.338 . . . . 73.03 110.148 179.693 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 48' ' ' GLN . . . . . 0.766 ' HB3' ' HB2' ' B' ' 45' ' ' ASN . 33.2 tt0 -59.1 -43.34 91.85 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.697 -0.683 . . . . 65.22 111.511 176.891 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -61.92 -48.25 81.3 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.43 -0.582 . . . . 73.15 109.43 179.709 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 20.1 t80 -60.8 -44.39 96.9 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.432 -0.804 . . . . 74.53 111.118 177.298 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 51' ' ' ALA . . . . . 0.452 ' HB2' HG11 ' B' ' 83' ' ' VAL . . . -53.58 -50.8 64.82 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.206 -0.452 . . . . 63.22 110.662 177.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -58.94 -45.99 89.08 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 115.693 -0.685 . . . . 74.31 110.684 178.354 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -64.63 -37.6 94.6 Favored Glycine 0 CA--C 1.52 0.393 0 CA-C-N 115.83 -0.623 . . . . 73.22 112.657 -179.549 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -72.1 -40.79 67.93 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 122.507 0.323 . . . . 73.14 110.168 -177.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 55' ' ' SER . . . . . 0.587 ' HB3' ' HB2' ' B' ' 81' ' ' ALA . 17.6 p -64.79 -46.19 83.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.879 0.371 . . . . 71.55 110.189 178.149 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 56' ' ' ALA . . . . . 0.491 ' HB1' HD21 ' A' ' 30' ' ' LEU . . . -62.77 -44.66 95.61 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 116.025 -0.534 . . . . 72.32 110.556 176.81 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 57' ' ' CYS . . . . . 0.47 ' HB2' ' HB3' ' A' ' 46' ' ' PRO . 39.1 t -61.15 -40.95 95.77 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.671 -0.695 . . . . 72.4 110.478 178.594 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 31.8 t80 -64.79 -36.49 84.47 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 116.044 -0.525 . . . . 52.32 109.924 -177.024 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 6.1 tt -69.72 -49.54 52.29 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 115.922 -0.581 . . . . 64.41 110.18 -179.139 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 60' ' ' SER . . . . . 0.552 ' O ' ' HB3' ' B' ' 63' ' ' LYS . 25.6 t -64.87 -41.59 95.53 Favored 'General case' 0 C--O 1.237 0.446 0 CA-C-O 121.228 0.537 . . . . 73.23 110.384 -179.433 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -64.66 -44.28 90.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 44.1 110.244 177.526 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 62' ' ' MET . . . . . 0.612 ' SD ' ' HB1' ' B' ' 118' ' ' ALA . 3.2 tpt -59.69 -37.18 78.11 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-O 121.3 0.572 . . . . 71.0 109.706 176.852 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 63' ' ' LYS . . . . . 0.552 ' HB3' ' O ' ' B' ' 60' ' ' SER . 80.6 tttt -58.9 -50.62 73.34 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 115.105 -0.952 . . . . 72.03 110.303 175.635 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 81.6 t80 -63.85 -44.54 92.86 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 116.313 -0.403 . . . . 73.11 110.931 178.448 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 44.1 t -56.28 -41.77 71.74 Favored 'Isoleucine or valine' 0 C--O 1.235 0.301 0 CA-C-N 116.086 -0.506 . . . . 75.05 110.976 -179.64 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -54.19 -32.95 56.99 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.013 0.435 . . . . 74.13 110.552 177.711 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -72.07 -26.2 72.94 Favored Glycine 0 N--CA 1.451 -0.308 0 CA-C-N 115.577 -0.738 . . . . 75.04 112.679 -177.128 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -99.1 -14.71 19.28 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 121.277 0.561 . . . . 64.5 109.509 179.16 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -94.54 -5.34 46.19 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.363 -0.835 . . . . 65.21 110.514 176.831 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 70' ' ' LYS . . . . . 0.49 ' HD3' ' N ' ' B' ' 70' ' ' LYS . 11.7 mmtp 67.07 24.23 9.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.229 -0.896 . . . . 73.12 110.859 173.5 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -112.48 168.04 9.97 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.568 -0.742 . . . . 74.24 110.11 178.789 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 1.2 p -127.15 134.68 50.15 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.923 -0.581 . . . . 74.12 110.207 -179.576 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 73' ' ' LEU . . . . . 0.514 HD11 ' HG3' ' B' ' 62' ' ' MET . 87.9 mt -109.3 144.76 30.42 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 116.371 -0.377 . . . . 75.15 110.996 -176.632 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 74' ' ' PRO . . . . . 0.645 ' HD2' HD11 ' B' ' 103' ' ' LEU . 24.6 Cg_exo -64.3 120.55 7.91 Favored 'Trans proline' 0 C--N 1.349 0.571 0 C-N-CA 122.596 2.197 . . . . 62.01 111.37 174.049 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -76.92 -3.6 39.59 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.907 0.384 . . . . 71.53 111.264 -177.158 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -91.77 10.23 29.33 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-O 121.382 0.61 . . . . 60.22 110.736 -179.393 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 77' ' ' THR . . . . . 0.492 ' HB ' HD12 ' B' ' 103' ' ' LEU . 9.1 t -80.79 172.75 13.36 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.933 -0.576 . . . . 73.25 112.204 -176.33 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 22.2 m -152.0 149.25 28.68 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 115.887 -0.597 . . . . 71.23 110.4 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 96.6 t -127.0 125.13 65.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 N-CA-C 109.867 -0.42 . . . . 54.24 109.867 176.72 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 80' ' ' THR . . . . . 0.495 ' HB ' ' HB2' ' B' ' 100' ' ' ARG . 24.2 m -110.7 113.57 26.27 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.118 -0.492 . . . . 72.42 110.253 -179.764 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 81' ' ' ALA . . . . . 0.587 ' HB2' ' HB3' ' B' ' 55' ' ' SER . . . -93.25 107.87 19.61 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.439 -0.346 . . . . 73.43 110.367 -178.748 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -102.25 115.47 30.62 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.519 -0.549 . . . . 71.23 109.519 178.232 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 83' ' ' VAL . . . . . 0.452 HG11 ' HB2' ' B' ' 51' ' ' ALA . 16.7 m -117.35 140.68 39.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 121.004 0.431 . . . . 71.44 111.1 -177.491 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 84' ' ' GLY . . . . . . . . . . . . . . . -132.01 149.09 19.31 Favored Glycine 0 N--CA 1.442 -0.904 0 N-CA-C 111.263 -0.735 . . . . 52.45 111.263 175.048 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 85' ' ' ILE . . . . . 0.539 HD12 ' HG ' ' B' ' 36' ' ' LEU . 0.0 OUTLIER -123.28 130.91 74.01 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 N-CA-C 109.258 -0.645 . . . . 73.1 109.258 -179.876 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 86' ' ' GLY . . . . . 0.556 ' HA2' ' HG ' ' A' ' 4' ' ' LEU . . . -141.63 170.29 24.84 Favored Glycine 0 C--N 1.332 0.315 0 O-C-N 124.033 0.833 . . . . 52.3 111.151 -176.08 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 87' ' ' PRO . . . . . 0.633 ' HD3' ' HG ' ' A' ' 4' ' ' LEU . 7.3 Cg_endo -81.24 126.18 5.47 Favored 'Trans proline' 0 N--CA 1.455 -0.751 0 C-N-CA 122.528 2.152 . . . . 61.3 112.05 -175.041 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 88' ' ' ASN . . . . . . . . . . . . . 54.0 t-20 -76.22 130.91 38.9 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 108.872 -0.788 . . . . 72.3 108.872 176.531 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -61.24 -15.21 32.27 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.953 0.406 . . . . 65.22 110.979 -177.889 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -67.18 -17.49 64.86 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 115.836 -0.62 . . . . 74.05 110.895 177.023 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.61 35.34 3.31 Favored Glycine 0 N--CA 1.454 -0.115 0 CA-C-N 115.972 -0.558 . . . . 72.2 111.767 -176.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . -150.05 -149.51 5.03 Favored Glycine 0 C--N 1.33 0.228 0 N-CA-C 111.325 -0.71 . . . . 70.13 111.325 178.184 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 93' ' ' PHE . . . . . . . . . . . . . 68.0 m-85 -111.48 162.88 14.63 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 117.054 0.427 . . . . 73.12 110.456 177.798 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -149.21 142.36 24.98 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.832 -0.622 . . . . 62.21 110.154 -179.172 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -102.6 149.19 24.67 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-O 121.052 0.453 . . . . 74.21 110.687 178.764 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 96' ' ' ASP . . . . . 0.458 ' HB3' HD11 ' A' ' 3' ' ' ILE . 48.5 t0 -137.04 110.18 7.77 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 108.093 -1.077 . . . . 73.53 108.093 175.636 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 97' ' ' VAL . . . . . 0.432 HG13 HG13 ' B' ' 134' ' ' VAL . 2.6 p -113.98 116.52 52.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 121.706 0.765 . . . . 65.34 111.514 -173.155 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 98' ' ' GLU . . . . . 0.566 ' HG2' ' HB2' ' B' ' 135' ' ' ARG . 49.6 mt-10 -104.41 113.55 27.18 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 114.839 -1.073 . . . . 74.42 109.433 178.934 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 90.5 mt -94.58 116.97 29.4 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.037 -0.528 . . . . 61.12 110.125 -177.617 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 100' ' ' ARG . . . . . 0.567 ' HA ' ' O ' ' B' ' 137' ' ' VAL . 98.5 mtt180 -99.03 120.13 38.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.093 -0.503 . . . . 64.11 110.112 -177.646 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 101' ' ' VAL . . . . . . . . . . . . . 83.9 t -105.33 112.3 38.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 115.537 -0.756 . . . . 60.12 110.646 -177.564 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -107.23 100.96 10.38 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.624 -0.509 . . . . 53.32 109.624 174.512 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 103' ' ' LEU . . . . . 0.845 HD23 HD22 ' B' ' 106' ' ' LEU . 23.7 tp -114.02 116.61 44.73 Favored Pre-proline 0 C--N 1.327 -0.383 0 N-CA-C 108.334 -0.987 . . . . 72.24 108.334 -179.433 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 104' ' ' PRO . . . . . 0.519 ' HD2' HD12 ' B' ' 103' ' ' LEU . 61.6 Cg_endo -71.19 145.72 49.71 Favored 'Trans proline' 0 N--CA 1.462 -0.324 0 C-N-CA 122.472 2.114 . . . . 74.24 113.664 -169.054 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 105' ' ' GLY . . . . . . . . . . . . . . . 70.57 14.86 72.71 Favored Glycine 0 CA--C 1.519 0.313 0 CA-C-N 114.693 -1.139 . . . . 72.34 112.76 -179.8 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 106' ' ' LEU . . . . . 0.845 HD22 HD23 ' B' ' 103' ' ' LEU . 30.9 tp -115.09 140.28 49.19 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-O 121.183 0.516 . . . . 60.53 111.927 -175.923 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -76.01 144.57 40.8 Favored 'General case' 0 N--CA 1.462 0.134 0 CA-C-N 115.529 -0.76 . . . . 63.12 110.242 174.899 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -64.03 -36.86 85.37 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.921 0.391 . . . . 34.32 110.824 -179.771 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -60.52 -51.39 69.66 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.089 -0.505 . . . . 64.51 110.462 179.288 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 110' ' ' ALA . . . . . 0.493 ' O ' HG22 ' B' ' 113' ' ' THR . . . -66.69 -37.76 85.39 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-O 121.21 0.528 . . . . 72.03 110.22 178.409 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 111' ' ' ALA . . . . . 0.444 ' HA ' HD21 ' B' ' 106' ' ' LEU . . . -57.01 -41.2 78.1 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.667 -0.697 . . . . 64.14 110.978 179.758 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 112' ' ' LYS . . . . . . . . . . . . . 59.5 mttp -54.94 -35.48 64.26 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 116.247 -0.433 . . . . 74.45 111.356 178.142 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 113' ' ' THR . . . . . 0.493 HG22 ' O ' ' B' ' 110' ' ' ALA . 0.6 OUTLIER -82.25 -35.78 27.78 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-O 120.727 0.299 . . . . 72.03 110.608 179.326 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 58.8 mt -66.8 -45.26 78.95 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-O 120.852 0.358 . . . . 70.23 110.799 -178.526 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 115' ' ' VAL . . . . . 0.522 HG21 HG12 ' B' ' 138' ' ' VAL . 57.8 t -65.72 -32.4 58.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 121.087 0.47 . . . . 63.55 110.128 177.283 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -60.32 -61.18 2.79 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.768 -0.651 . . . . 75.43 110.585 177.509 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 117' ' ' ARG . . . . . 0.412 ' HG2' ' O ' ' B' ' 113' ' ' THR . 7.0 ptm180 -61.52 -36.39 80.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.663 -0.699 . . . . 70.2 110.787 -178.292 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 118' ' ' ALA . . . . . 0.612 ' HB1' ' SD ' ' B' ' 62' ' ' MET . . . -65.04 -47.34 77.72 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.493 -0.776 . . . . 61.11 111.241 178.639 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -74.77 -0.32 17.85 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-O 120.794 0.33 . . . . 74.31 111.024 -174.893 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 15.0 t60 -65.93 -44.17 85.89 Favored 'General case' 0 C--N 1.332 -0.196 0 N-CA-C 108.824 -0.806 . . . . 61.52 108.824 173.887 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 23.5 m -89.89 59.58 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.34 -0.846 . . . . 63.42 109.468 175.664 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 122' ' ' CYS . . . . . 0.425 ' HA ' ' HD3' ' B' ' 123' ' ' PRO . 41.8 t -65.13 114.99 17.33 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 115.119 -0.946 . . . . 74.53 109.982 -177.76 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 123' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' B' ' 122' ' ' CYS . 53.1 Cg_exo -55.07 -50.71 12.23 Favored 'Trans proline' 0 C--N 1.352 0.713 0 C-N-CA 123.248 2.632 . . . . 65.25 113.125 -173.168 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 124' ' ' TYR . . . . . 0.716 ' HB3' HG21 ' B' ' 128' ' ' THR . 23.3 t80 -62.78 -54.85 32.67 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 116.475 -0.329 . . . . 65.35 110.69 -176.316 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 125' ' ' SER . . . . . 0.655 ' O ' HG22 ' B' ' 128' ' ' THR . 29.8 t 173.53 164.2 0.16 Allowed 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 121.161 0.505 . . . . 64.23 111.514 -177.889 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 126' ' ' ASN . . . . . 0.422 ' OD1' ' N ' ' B' ' 127' ' ' ALA . 29.9 p30 -72.43 -35.26 68.28 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 115.727 -0.67 . . . . 74.24 110.032 171.232 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 127' ' ' ALA . . . . . 0.924 ' HB3' ' HB2' ' A' ' 127' ' ' ALA . . . -78.38 6.03 9.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.783 -0.644 . . . . 65.3 111.366 -177.092 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 128' ' ' THR . . . . . 0.716 HG21 ' HB3' ' B' ' 124' ' ' TYR . 1.4 t -107.51 -2.78 20.06 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.494 -0.558 . . . . 55.14 109.494 178.9 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 129' ' ' ARG . . . . . 0.432 ' HG3' ' N ' ' B' ' 130' ' ' ASN . 13.3 ptm180 -121.95 -43.89 2.33 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-N 115.597 -0.728 . . . . 75.21 110.38 178.447 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 130' ' ' ASN . . . . . 0.432 ' N ' ' HG3' ' B' ' 129' ' ' ARG . 82.1 m-20 -78.48 -51.99 9.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.078 -0.51 . . . . 74.14 110.323 178.901 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 131' ' ' ASN . . . . . 0.548 ' HB3' ' O ' ' B' ' 127' ' ' ALA . 9.7 t30 -73.56 -43.98 58.53 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.937 -0.574 . . . . 75.43 110.519 -178.609 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 132' ' ' VAL . . . . . . . . . . . . . 55.9 t -86.18 144.93 8.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.939 -0.573 . . . . 52.13 109.839 178.77 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 133' ' ' ALA . . . . . 0.654 ' HB1' ' NH1' ' B' ' 135' ' ' ARG . . . -78.97 101.38 7.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.97 0.414 . . . . 72.23 111.334 -176.767 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 134' ' ' VAL . . . . . 0.432 HG13 HG13 ' B' ' 97' ' ' VAL . 6.8 t -120.88 134.77 63.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 115.751 -0.659 . . . . 61.1 110.611 178.748 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 135' ' ' ARG . . . . . 0.654 ' NH1' ' HB1' ' B' ' 133' ' ' ALA . 1.7 mpt_? -114.38 120.49 40.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.119 -0.492 . . . . 74.32 110.017 175.64 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 136' ' ' LEU . . . . . 0.422 HD13 HG12 ' B' ' 115' ' ' VAL . 72.8 mt -87.16 107.08 18.3 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.336 0.589 . . . . 72.41 110.879 178.494 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 137' ' ' VAL . . . . . 0.567 ' O ' ' HA ' ' B' ' 100' ' ' ARG . 0.2 OUTLIER -112.14 115.18 49.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.256 -0.884 . . . . 72.22 110.105 -179.035 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 138' ' ' VAL . . . . . 0.522 HG12 HG21 ' B' ' 115' ' ' VAL . 2.8 m -98.56 138.48 23.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.846 -0.616 . . . . 70.52 110.12 -177.663 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 139' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.292 0 CA-C-N 115.722 -0.672 . . . . 71.35 110.903 -176.038 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.402 ' HE1' ' HB3' ' B' ' 94' ' ' ALA . 16.9 ptt? . . . . . 0 N--CA 1.484 1.227 0 N-CA-C 110.027 -0.36 . . . . 71.43 110.027 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 53.5 t30 -70.62 71.78 0.5 Allowed 'General case' 0 CA--C 1.534 0.327 0 CA-C-O 121.364 0.602 . . . . 75.52 110.496 175.62 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.525 HG21 ' HB2' ' A' ' 6' ' ' LYS . 24.8 mm -75.9 134.03 29.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.803 -0.635 . . . . 51.02 111.497 177.594 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.718 ' HG ' ' HA2' ' B' ' 86' ' ' GLY . 60.8 mt -88.62 -46.83 8.74 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.215 -0.902 . . . . 74.21 109.092 171.014 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 42.3 t80 -139.7 132.61 29.3 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 115.872 -0.604 . . . . 54.43 110.255 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.525 ' HB2' HG21 ' A' ' 3' ' ' ILE . 30.0 ttmt -139.48 134.41 32.24 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.74 0.305 . . . . 62.42 110.391 175.614 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 15.2 t -143.13 170.58 15.45 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.615 -0.513 . . . . 73.02 109.615 177.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.484 ' HA ' ' HA ' ' B' ' 82' ' ' GLU . . . -133.83 156.47 47.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.287 0.565 . . . . 64.34 112.33 -173.866 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -132.6 121.39 23.14 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.348 -0.842 . . . . 65.14 108.879 171.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.472 ' HA ' ' HA ' ' B' ' 80' ' ' THR . 8.1 t -100.27 120.63 40.21 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.715 -0.476 . . . . 73.43 109.715 -176.042 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 97.7 p -103.57 120.5 41.01 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.032 -0.531 . . . . 71.32 110.178 -179.636 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.64 ' HA ' HG22 ' B' ' 78' ' ' THR . 3.3 m -96.71 156.79 16.19 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.432 -0.349 . . . . 72.12 110.165 179.146 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -75.1 66.15 2.22 Favored Glycine 0 N--CA 1.443 -0.867 0 C-N-CA 120.91 -0.662 . . . . 62.44 112.626 176.285 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -63.17 -165.24 0.6 Allowed Glycine 0 C--N 1.34 0.766 0 C-N-CA 120.808 -0.711 . . . . 62.02 111.994 171.574 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 96.0 mtt180 -47.38 -48.18 25.95 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 116.941 0.371 . . . . 73.04 111.1 -176.608 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.552 ' HB3' ' HA ' ' A' ' 31' ' ' SER . 23.4 t0 -125.79 -43.0 1.88 Allowed 'General case' 0 CA--C 1.515 -0.401 0 N-CA-C 109.37 -0.604 . . . . 74.22 109.37 166.843 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -158.85 147.95 16.27 Favored Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 119.504 -1.332 . . . . 73.12 112.475 169.209 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 45.5 ttp180 -123.28 144.38 49.45 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.459 -0.941 . . . . 73.24 108.459 172.019 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -136.42 123.78 21.98 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.818 -0.438 . . . . 71.12 109.818 -177.596 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.401 ' HA ' ' O ' ' A' ' 26' ' ' LEU . 11.2 m -130.76 114.3 15.18 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.261 -0.427 . . . . 63.53 110.497 -176.317 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.613 ' CB ' ' HB3' ' A' ' 26' ' ' LEU . 35.9 t -66.6 108.03 2.3 Favored 'General case' 0 C--O 1.254 1.33 0 N-CA-C 107.418 -1.327 . . . . 62.3 107.418 175.679 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 30.8 t-80 -62.99 -9.07 8.62 Favored 'General case' 0 C--N 1.349 0.576 0 O-C-N 126.703 2.502 . . . . 71.44 111.603 -171.862 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.445 ' OD1' ' HE3' ' A' ' 25' ' ' LYS . 27.7 t70 -79.72 8.43 6.67 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 108.204 -1.035 . . . . 73.43 108.204 173.723 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 29.9 mm-40 70.95 28.92 3.12 Favored 'General case' 0 CA--C 1.516 -0.331 0 CA-C-N 114.3 -1.318 . . . . 72.53 110.597 172.455 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.445 ' HE3' ' OD1' ' A' ' 23' ' ' ASP . 18.6 ptpt -117.47 -10.12 10.73 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.839 -0.618 . . . . 73.44 112.348 -179.363 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.613 ' HB3' ' CB ' ' A' ' 21' ' ' SER . 59.9 tp -140.78 139.94 34.68 Favored 'General case' 0 C--O 1.219 -0.515 0 C-N-CA 118.246 -1.381 . . . . 74.42 111.766 177.405 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -152.65 98.46 2.35 Favored 'General case' 0 C--O 1.235 0.299 0 N-CA-C 109.01 -0.737 . . . . 74.13 109.01 173.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 2.9 m -135.65 177.97 5.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.611 -0.722 . . . . 62.12 111.344 -177.538 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 11.6 ttpp -138.28 137.7 37.72 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.533 -0.758 . . . . 62.42 110.357 -179.115 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.628 ' HA ' ' H ' ' A' ' 44' ' ' THR . 0.0 OUTLIER -125.87 164.47 20.67 Favored 'General case' 0 C--O 1.255 1.357 0 CA-C-N 115.892 -0.595 . . . . 64.12 110.382 178.229 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.552 ' HA ' ' HB3' ' A' ' 16' ' ' ASP . 29.7 m -161.64 137.22 7.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.18 -0.918 . . . . 75.34 110.355 -174.934 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -80.93 117.19 66.97 Favored Pre-proline 0 C--O 1.241 0.629 0 CA-C-N 116.126 -0.488 . . . . 52.21 109.962 174.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 81.3 Cg_exo -47.5 139.52 17.4 Favored 'Trans proline' 0 C--N 1.35 0.649 0 C-N-CA 122.762 2.308 . . . . 73.33 111.451 176.616 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.507 ' HB2' ' CA ' ' A' ' 40' ' ' GLY . 12.0 ttt180 -78.67 9.66 3.92 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.783 0.325 . . . . 50.12 111.607 -170.241 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -51.57 -43.92 62.58 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.825 -0.625 . . . . 75.14 111.173 -178.855 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 55.7 mt -108.91 29.69 7.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.762 -0.654 . . . . 63.44 110.988 -174.849 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 79.65 49.17 6.26 Favored Glycine 0 C--N 1.331 0.285 0 C-N-CA 120.824 -0.703 . . . . 72.22 112.01 -178.169 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.498 ' H ' ' HA ' ' A' ' 34' ' ' ARG . . . -103.24 -133.66 8.04 Favored Glycine 0 N--CA 1.453 -0.207 0 N-CA-C 112.114 -0.394 . . . . 73.44 112.114 -178.162 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -102.09 -42.02 6.22 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.977 0.418 . . . . 63.22 110.844 -177.814 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.507 ' CA ' ' HB2' ' A' ' 34' ' ' ARG . . . 75.21 92.67 0.17 Allowed Glycine 0 N--CA 1.449 -0.463 0 CA-C-N 115.855 -0.611 . . . . 45.53 112.31 -175.82 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.442 ' HB3' ' CB ' ' A' ' 31' ' ' SER . . . -161.87 176.5 10.77 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.024 0.44 . . . . 44.21 111.124 178.818 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -77.5 2.43 16.31 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 115.247 -0.888 . . . . 71.23 111.206 -178.033 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -68.08 175.46 28.0 Favored Glycine 0 C--O 1.237 0.327 0 CA-C-N 115.781 -0.645 . . . . 55.55 113.495 -172.805 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.628 ' H ' ' HA ' ' A' ' 30' ' ' LEU . 9.5 m -95.02 158.22 15.56 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.785 -0.45 . . . . 74.01 109.785 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.42 ' HB2' ' HB3' ' A' ' 48' ' ' GLN . 9.7 m120 -79.52 124.08 84.01 Favored Pre-proline 0 CA--C 1.534 0.328 0 N-CA-C 110.194 -0.298 . . . . 72.33 110.194 179.05 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -56.05 -51.39 9.64 Favored 'Trans proline' 0 CA--C 1.537 0.632 0 C-N-CA 122.872 2.381 . . . . 63.04 112.85 178.889 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -56.98 -38.35 72.91 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-O 121.257 0.551 . . . . 62.13 110.068 179.682 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.437 ' OE1' ' HB2' ' B' ' 21' ' ' SER . 0.9 OUTLIER -62.29 -40.54 96.61 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 115.56 -0.745 . . . . 72.35 109.898 176.358 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.482 HD12 ' HA3' ' B' ' 53' ' ' GLY . 2.6 tm? -62.14 -44.23 97.09 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.485 -0.561 . . . . 71.11 109.485 -178.521 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 54.6 t80 -63.61 -47.83 79.81 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.487 -0.324 . . . . 64.45 110.771 176.533 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.511 ' HB1' ' HB1' ' A' ' 81' ' ' ALA . . . -57.41 -52.72 64.21 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 116.21 -0.45 . . . . 52.03 110.988 -179.345 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.64 -35.3 79.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.893 -0.594 . . . . 51.43 110.513 179.467 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -63.57 -41.78 99.06 Favored Glycine 0 N--CA 1.449 -0.447 0 N-CA-C 111.624 -0.59 . . . . 45.35 111.624 175.793 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -60.46 -54.56 44.02 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.529 -0.545 . . . . 71.4 109.529 178.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 27.4 p -63.42 -37.83 88.79 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.251 -0.431 . . . . 50.31 111.038 -177.516 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.27 -42.45 88.44 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-O 121.01 0.433 . . . . 72.41 110.666 177.616 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 74.0 m -66.07 -36.44 83.21 Favored 'General case' 0 C--N 1.332 -0.163 0 N-CA-C 109.46 -0.571 . . . . 74.4 109.46 177.251 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 44.5 t80 -60.33 -33.29 72.19 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.208 -0.905 . . . . 64.12 110.462 -178.814 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -63.83 -56.5 14.94 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 115.895 -0.593 . . . . 74.12 109.586 179.351 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.522 ' O ' ' HB3' ' A' ' 63' ' ' LYS . 4.1 t -66.85 -28.19 68.15 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-N 116.127 -0.488 . . . . 74.4 109.963 -178.863 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.34 -45.9 82.36 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-N 116.172 -0.467 . . . . 64.15 109.982 176.196 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 75.0 mmm -61.8 -31.2 71.41 Favored 'General case' 0 N--CA 1.461 0.109 0 CA-C-N 115.868 -0.605 . . . . 61.32 110.316 176.488 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.522 ' HB3' ' O ' ' A' ' 60' ' ' SER . 23.4 ttmt -61.65 -51.97 66.29 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.622 -0.51 . . . . 62.32 109.622 174.017 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 45.2 t80 -57.71 -42.84 84.58 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 115.872 -0.604 . . . . 70.35 110.493 178.861 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 72.4 t -61.8 -50.42 80.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.109 -0.496 . . . . 51.41 110.717 178.155 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.531 ' HA ' ' HG3' ' A' ' 71' ' ' GLN . . . -60.34 -31.01 69.9 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.998 -0.546 . . . . 55.45 110.269 179.741 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -74.5 -27.0 66.34 Favored Glycine 0 N--CA 1.451 -0.326 0 CA-C-N 115.152 -0.931 . . . . 65.01 112.216 -176.533 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -95.24 -21.95 18.12 Favored 'General case' 0 CA--C 1.521 -0.141 0 N-CA-C 109.233 -0.654 . . . . 73.33 109.233 -179.259 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 24.2 m-80 -95.65 4.15 53.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.28 -0.873 . . . . 73.35 111.431 -179.366 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.424 ' N ' ' HD3' ' A' ' 70' ' ' LYS . 21.2 mmtm 58.86 30.64 20.37 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.678 -0.692 . . . . 70.5 110.598 173.302 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.531 ' HG3' ' HA ' ' A' ' 66' ' ' ALA . 2.9 pt20 -116.9 167.65 10.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.665 -0.698 . . . . 65.11 110.005 179.608 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 12.8 p -132.2 126.13 32.81 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.125 -0.489 . . . . 71.13 110.861 -177.116 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.411 ' HA ' ' HD3' ' A' ' 74' ' ' PRO . 0.2 OUTLIER -109.5 140.17 21.85 Favored Pre-proline 0 CA--C 1.535 0.377 0 CA-C-N 115.993 -0.549 . . . . 63.13 110.498 -179.696 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.506 ' HB2' ' HG2' ' A' ' 104' ' ' PRO . 52.6 Cg_exo -58.24 135.72 70.03 Favored 'Trans proline' 0 C--N 1.348 0.519 0 C-N-CA 123.161 2.574 . . . . 75.32 113.125 -178.503 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -77.18 1.29 18.81 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 120.962 0.411 . . . . 74.43 111.77 179.146 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -91.0 7.61 39.47 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.433 0.635 . . . . 72.44 110.42 179.192 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.506 ' HB ' HD12 ' A' ' 103' ' ' LEU . 8.1 t -77.11 159.24 29.94 Favored 'General case' 0 C--O 1.238 0.449 0 CA-C-N 115.59 -0.732 . . . . 73.42 111.742 -177.751 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 32.3 m -153.5 149.33 27.59 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.847 -0.615 . . . . 65.01 110.006 -179.395 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 90.9 t -127.35 133.41 68.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 N-CA-C 109.345 -0.613 . . . . 73.54 109.345 177.539 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.461 ' HB ' ' HB3' ' A' ' 100' ' ' ARG . 19.5 m -109.96 112.64 24.77 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.433 -0.349 . . . . 61.0 110.529 -179.181 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.511 ' HB1' ' HB1' ' A' ' 51' ' ' ALA . . . -93.52 109.2 20.81 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.999 -0.546 . . . . 75.0 109.775 176.023 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.451 ' HB3' ' HB3' ' A' ' 98' ' ' GLU . 31.3 tt0 -106.79 107.74 18.91 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.399 -0.593 . . . . 74.0 109.399 -178.392 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.588 HG23 HG22 ' A' ' 97' ' ' VAL . 10.9 p -109.53 140.31 28.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 120.922 0.392 . . . . 74.25 111.224 -175.163 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.446 ' HA2' ' HA ' ' B' ' 6' ' ' LYS . . . -145.47 170.0 26.9 Favored Glycine 0 N--CA 1.446 -0.654 0 CA-C-N 115.984 -0.553 . . . . 64.22 112.106 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.441 HD11 ' CD2' ' A' ' 93' ' ' PHE . 0.0 OUTLIER -145.94 135.61 17.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 N-CA-C 109.801 -0.444 . . . . 71.32 109.801 -178.044 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -143.99 169.94 26.03 Favored Glycine 0 CA--C 1.52 0.361 0 N-CA-C 111.226 -0.749 . . . . 64.2 111.226 178.145 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.692 ' HD3' ' HG ' ' B' ' 4' ' ' LEU . 58.8 Cg_endo -73.54 134.11 19.97 Favored 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.147 1.898 . . . . 75.13 112.145 -176.807 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 52.4 t-20 -87.18 142.71 27.71 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.384 -0.826 . . . . 63.43 109.636 -178.616 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -60.95 -17.93 54.29 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-O 121.08 0.467 . . . . 74.31 110.719 179.493 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -67.14 -23.78 65.83 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 115.478 -0.783 . . . . 62.35 110.463 176.869 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.21 32.32 4.35 Favored Glycine 0 N--CA 1.45 -0.4 0 CA-C-N 115.557 -0.747 . . . . 52.42 111.322 -175.54 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -146.18 -128.66 1.97 Allowed Glycine 0 N--CA 1.45 -0.408 0 N-CA-C 111.613 -0.595 . . . . 74.12 111.613 -178.784 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.441 ' CD2' HD11 ' A' ' 85' ' ' ILE . 45.1 m-85 -124.24 154.07 40.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.122 0.487 . . . . 72.25 111.114 -177.754 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -139.23 128.33 23.82 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.43 -0.805 . . . . 73.43 109.12 178.395 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -98.98 140.67 32.78 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 121.067 0.46 . . . . 75.45 111.387 -175.291 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -126.24 112.31 15.59 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.068 -0.969 . . . . 62.1 109.333 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.588 HG22 HG23 ' A' ' 83' ' ' VAL . 46.9 t -121.69 110.9 28.91 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.812 0 CA-C-O 120.893 0.377 . . . . 41.42 110.551 -177.165 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.451 ' HB3' ' HB3' ' A' ' 82' ' ' GLU . 34.7 tt0 -101.53 128.03 47.95 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 116.186 -0.461 . . . . 51.52 110.347 -177.746 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 91.5 mt -111.04 106.89 16.11 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-O 121.042 0.449 . . . . 73.33 110.053 179.296 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.502 ' HA ' HG13 ' A' ' 137' ' ' VAL . 57.5 ttt180 -101.85 107.75 19.03 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.229 -0.896 . . . . 73.43 109.835 -175.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 49.1 t -103.24 101.86 12.81 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.262 0 CA-C-O 120.39 0.138 . . . . 72.23 110.962 -171.547 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -97.46 101.5 13.05 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-O 120.79 0.329 . . . . 73.1 110.753 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.923 HD23 HD22 ' A' ' 106' ' ' LEU . 43.4 tp -113.6 116.28 45.98 Favored Pre-proline 0 C--N 1.329 -0.309 0 N-CA-C 109.059 -0.719 . . . . 73.31 109.059 178.675 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' PRO . . . . . 0.566 ' HD2' HD12 ' A' ' 103' ' ' LEU . 72.3 Cg_endo -76.24 155.6 37.33 Favored 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 122.517 2.144 . . . . 73.52 112.129 -175.813 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 71.18 15.27 74.47 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.805 -0.712 . . . . 54.45 112.026 -179.288 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.923 HD22 HD23 ' A' ' 103' ' ' LEU . 20.4 tp -121.67 143.72 49.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.995 0.426 . . . . 65.03 110.915 -175.239 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -78.99 147.22 32.99 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.741 -0.663 . . . . 72.42 110.505 173.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.58 ' O ' ' HG3' ' A' ' 112' ' ' LYS . . . -65.74 -42.93 90.38 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.735 0.303 . . . . 74.35 110.378 178.178 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -56.54 -42.3 78.27 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.987 -0.551 . . . . 64.13 110.653 178.13 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.547 ' O ' HG22 ' A' ' 113' ' ' THR . . . -73.07 -40.03 65.39 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.773 -0.649 . . . . 73.25 110.442 178.887 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -55.48 -40.65 71.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.916 -0.584 . . . . 54.13 110.623 179.305 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.58 ' HG3' ' O ' ' A' ' 108' ' ' ALA . 65.3 mttm -51.13 -43.84 61.26 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.547 -0.751 . . . . 74.23 111.002 177.309 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 113' ' ' THR . . . . . 0.547 HG22 ' O ' ' A' ' 110' ' ' ALA . 1.1 t -81.41 -33.41 32.24 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.446 -0.343 . . . . 74.22 110.793 -175.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.445 ' HG ' ' O ' ' A' ' 110' ' ' ALA . 41.6 mt -64.85 -48.71 73.32 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.387 -0.369 . . . . 61.01 110.573 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.559 HG21 HG12 ' A' ' 138' ' ' VAL . 94.7 t -64.89 -35.64 75.75 Favored 'Isoleucine or valine' 0 C--O 1.241 0.617 0 CA-C-N 116.234 -0.439 . . . . 72.22 110.126 178.46 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 116' ' ' ASP . . . . . 0.542 ' O ' ' HB2' ' A' ' 120' ' ' HIS . 12.2 t70 -59.43 -61.28 2.74 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 115.728 -0.669 . . . . 63.5 110.192 177.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 117' ' ' ARG . . . . . 0.517 ' O ' HG22 ' A' ' 121' ' ' VAL . 10.1 ptm180 -61.52 -35.04 76.58 Favored 'General case' 0 CA--C 1.521 -0.164 0 CA-C-N 116.342 -0.39 . . . . 65.24 110.297 -176.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -56.51 -56.1 25.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.74 -0.663 . . . . 63.41 110.782 178.007 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 95.2 m-70 -76.41 -8.09 56.42 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 120.999 -0.28 . . . . 74.13 111.015 178.213 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 120' ' ' HIS . . . . . 0.542 ' HB2' ' O ' ' A' ' 116' ' ' ASP . 2.4 t-160 -86.11 -33.05 21.02 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.355 -0.384 . . . . 75.14 110.483 -177.85 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.517 HG22 ' O ' ' A' ' 117' ' ' ARG . 20.1 m -118.65 -11.8 11.0 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.429 0 N-CA-C 112.236 0.458 . . . . 74.54 112.236 -176.911 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 122' ' ' CYS . . . . . 0.516 ' SG ' HG23 ' A' ' 121' ' ' VAL . 42.9 m -137.56 66.36 50.01 Favored Pre-proline 0 N--CA 1.469 0.52 0 CA-C-O 120.89 0.376 . . . . 72.12 110.826 178.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_endo -102.72 163.97 0.28 Allowed 'Trans proline' 0 N--CA 1.456 -0.714 0 C-N-CA 123.317 2.678 . . . . 74.45 113.598 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -82.95 -168.15 1.95 Allowed 'General case' 0 C--O 1.237 0.403 0 N-CA-C 108.508 -0.923 . . . . 65.44 108.508 166.287 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 125' ' ' SER . . . . . 0.596 ' O ' HG22 ' A' ' 128' ' ' THR . 14.0 m -44.64 131.55 6.71 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-O 120.81 0.338 . . . . 62.44 111.075 179.805 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 126' ' ' ASN . . . . . 0.516 ' O ' ' HG2' ' A' ' 129' ' ' ARG . 46.0 m-20 -57.34 -42.3 81.68 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-O 121.524 0.678 . . . . 73.42 109.784 -177.771 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 127' ' ' ALA . . . . . 0.614 ' O ' ' HB3' ' A' ' 131' ' ' ASN . . . -75.28 6.35 4.53 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.318 -0.855 . . . . 54.1 112.211 -178.85 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 128' ' ' THR . . . . . 0.596 HG22 ' O ' ' A' ' 125' ' ' SER . 0.7 OUTLIER -108.44 -6.26 16.26 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 109.403 -0.592 . . . . 73.21 109.403 176.873 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 129' ' ' ARG . . . . . 0.516 ' HG2' ' O ' ' A' ' 126' ' ' ASN . 10.2 ptt180 -116.38 -42.07 3.06 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 115.918 -0.583 . . . . 72.04 110.649 178.755 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 53.0 m-80 -78.58 -56.51 4.37 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 116.38 -0.373 . . . . 71.52 110.916 176.395 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 131' ' ' ASN . . . . . 0.614 ' HB3' ' O ' ' A' ' 127' ' ' ALA . 54.0 t30 -63.32 -43.63 97.25 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 115.946 -0.57 . . . . 72.12 110.533 -178.12 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 41.0 t -88.39 125.92 41.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.594 -0.73 . . . . 70.22 109.189 176.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -68.18 93.32 0.44 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.301 0.572 . . . . 45.42 111.041 -174.879 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 134' ' ' VAL . . . . . 0.491 ' HA ' ' O ' ' A' ' 97' ' ' VAL . 59.3 t -98.99 124.35 52.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.458 -0.792 . . . . 75.02 110.766 177.556 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 11.3 tpt180 -95.87 113.43 25.05 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.432 -0.803 . . . . 72.41 109.896 -179.477 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 31.0 mt -89.83 115.95 27.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.861 0.363 . . . . 50.04 111.048 179.819 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 137' ' ' VAL . . . . . 0.502 HG13 ' HA ' ' A' ' 100' ' ' ARG . 0.2 OUTLIER -129.38 119.07 47.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 121.374 0.607 . . . . 74.42 110.444 -179.657 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 138' ' ' VAL . . . . . 0.559 HG12 HG21 ' A' ' 115' ' ' VAL . 3.0 m -95.42 139.01 19.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.751 -0.659 . . . . 53.11 110.269 -179.852 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.318 -0.777 0 CA-C-N 115.966 -0.561 . . . . 73.13 110.858 -176.488 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 26.8 ptm . . . . . 0 C--O 1.234 0.287 0 CA-C-O 121.186 0.517 . . . . 72.42 110.857 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 2' ' ' ASN . . . . . 0.57 ' O ' ' HD2' ' A' ' 87' ' ' PRO . 35.6 t30 -91.31 82.9 5.43 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.452 -0.795 . . . . 61.35 109.85 -179.517 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 3' ' ' ILE . . . . . 0.529 HG21 ' HB2' ' B' ' 6' ' ' LYS . 27.6 mm -73.52 129.17 36.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 116.087 -0.506 . . . . 72.42 111.537 179.575 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.692 ' HG ' ' HD3' ' A' ' 87' ' ' PRO . 84.2 mt -87.64 -43.28 12.07 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.523 -0.762 . . . . 75.25 109.803 174.042 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 5' ' ' TYR . . . . . . . . . . . . . 33.9 t80 -138.84 128.92 25.34 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 115.966 -0.561 . . . . 75.45 110.575 -177.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 6' ' ' LYS . . . . . 0.529 ' HB2' HG21 ' B' ' 3' ' ' ILE . 32.3 ttmt -138.61 142.81 39.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.952 0.406 . . . . 65.01 111.111 175.579 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 7.1 t -139.24 143.06 37.84 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.693 -0.685 . . . . 72.52 109.327 176.399 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 8' ' ' ALA . . . . . 0.429 ' O ' ' HB3' ' B' ' 22' ' ' HIS . . . -105.96 151.78 24.16 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.315 -0.402 . . . . 64.22 110.8 -177.638 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 9' ' ' ALA . . . . . 0.429 ' HA ' ' H ' ' B' ' 22' ' ' HIS . . . -137.96 123.1 19.21 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.171 -0.468 . . . . 31.45 110.187 177.31 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 5.2 t -99.55 110.82 23.24 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.466 0.65 . . . . 64.31 109.859 -179.235 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 11' ' ' SER . . . . . 0.437 ' HA ' ' HA ' ' B' ' 19' ' ' ALA . 20.9 p -101.87 113.53 26.81 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.881 -0.599 . . . . 74.14 110.41 178.352 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 2.6 m -95.11 155.68 16.63 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.863 -0.608 . . . . 53.42 110.831 -176.703 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -79.48 74.83 2.18 Favored Glycine 0 N--CA 1.448 -0.564 0 C-N-CA 121.005 -0.617 . . . . 71.12 112.413 176.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -66.97 -148.41 0.1 OUTLIER Glycine 0 CA--C 1.525 0.669 0 C-N-CA 121.102 -0.571 . . . . 73.4 112.213 173.679 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 15' ' ' ARG . . . . . 0.403 HH11 ' HD2' ' B' ' 15' ' ' ARG . 0.5 OUTLIER -56.31 -50.47 71.36 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.962 0.381 . . . . 65.14 110.706 178.515 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 16' ' ' ASP . . . . . 0.56 ' HB3' ' HA ' ' B' ' 31' ' ' SER . 24.8 t70 -125.87 -42.53 1.9 Allowed 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.314 -0.625 . . . . 65.33 109.314 173.711 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -166.14 155.76 27.22 Favored Glycine 0 N--CA 1.444 -0.805 0 C-N-CA 120.185 -1.007 . . . . 74.22 111.787 165.19 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 18' ' ' ARG . . . . . 0.511 ' HA ' ' HA ' ' B' ' 29' ' ' LYS . 39.0 ttp180 -135.86 137.7 41.74 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 108.831 -0.803 . . . . 74.4 108.831 174.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 19' ' ' ALA . . . . . 0.437 ' HA ' ' HA ' ' B' ' 11' ' ' SER . . . -134.15 124.08 25.46 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 123.213 0.32 . . . . 64.21 110.304 -176.063 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 41.3 m -130.84 113.5 14.15 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.4 -0.364 . . . . 75.11 110.41 179.856 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 21' ' ' SER . . . . . 0.553 ' HB3' ' N ' ' B' ' 26' ' ' LEU . 48.1 t -68.84 107.16 2.95 Favored 'General case' 0 C--O 1.248 0.981 0 N-CA-C 107.523 -1.288 . . . . 74.21 107.523 175.109 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 22' ' ' HIS . . . . . 0.447 ' C ' ' H ' ' B' ' 24' ' ' GLN . 1.8 t-80 -47.84 -35.37 10.14 Favored 'General case' 0 N--CA 1.466 0.375 0 O-C-N 126.099 2.124 . . . . 73.12 112.878 -168.537 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -80.38 25.59 0.4 Allowed 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.299 0.571 . . . . 63.54 110.531 -176.78 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 24' ' ' GLN . . . . . 0.447 ' H ' ' C ' ' B' ' 22' ' ' HIS . 27.4 mm-40 64.62 24.49 13.0 Favored 'General case' 0 CA--C 1.515 -0.37 0 CA-C-N 114.959 -1.018 . . . . 71.43 110.093 175.165 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 25' ' ' LYS . . . . . 0.564 ' HE2' ' HA ' ' B' ' 25' ' ' LYS . 9.8 mmpt? -85.47 -26.05 26.53 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 114.872 -1.058 . . . . 41.25 110.186 178.657 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 26' ' ' LEU . . . . . 0.553 ' N ' ' HB3' ' B' ' 21' ' ' SER . 41.6 tp -158.1 151.42 23.21 Favored 'General case' 0 CA--C 1.506 -0.725 0 C-N-CA 120.058 -0.657 . . . . 71.52 111.834 -179.502 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -161.09 90.77 0.84 Allowed 'General case' 0 N--CA 1.444 -0.726 0 CA-C-N 115.226 -0.897 . . . . 53.33 110.261 179.382 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 8.9 m -143.99 178.19 1.89 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.585 0 CA-C-O 121.326 0.584 . . . . 74.12 112.516 -177.885 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.511 ' HA ' ' HA ' ' B' ' 18' ' ' ARG . 13.4 ttmt -127.24 144.92 50.94 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 114.698 -1.137 . . . . 64.31 109.703 178.425 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 30' ' ' LEU . . . . . 0.765 ' HA ' ' H ' ' B' ' 44' ' ' THR . 0.0 OUTLIER -125.95 160.25 30.49 Favored 'General case' 0 C--O 1.255 1.391 0 CA-C-O 121.002 0.43 . . . . 72.32 110.59 175.107 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 31' ' ' SER . . . . . 0.56 ' HA ' ' HB3' ' B' ' 16' ' ' ASP . 35.2 m -153.89 122.77 6.37 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 115.228 -0.896 . . . . 62.35 111.368 -175.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.33 133.36 93.2 Favored Pre-proline 0 C--O 1.241 0.628 0 CA-C-N 115.67 -0.696 . . . . 75.13 110.234 174.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 33' ' ' PRO . . . . . . . . . . . . . 10.7 Cg_endo -52.75 132.91 48.53 Favored 'Trans proline' 0 C--N 1.349 0.57 0 C-N-CA 122.735 2.29 . . . . 71.3 111.32 179.656 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 34' ' ' ARG . . . . . 0.452 ' NH1' ' HA2' ' B' ' 37' ' ' GLY . 0.1 OUTLIER -62.62 -13.86 36.48 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 116.429 -0.351 . . . . 71.43 110.38 -176.733 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -48.58 -44.1 36.51 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-O 121.277 0.561 . . . . 72.42 110.837 176.383 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 26.1 mt -99.33 18.48 17.56 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.279 -0.873 . . . . 63.52 110.592 -174.65 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 37' ' ' GLY . . . . . 0.452 ' HA2' ' NH1' ' B' ' 34' ' ' ARG . . . 72.48 33.74 60.89 Favored Glycine 0 N--CA 1.453 -0.216 0 N-CA-C 111.612 -0.595 . . . . 51.22 111.612 -177.214 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -75.24 -77.44 0.7 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 121.046 -0.597 . . . . 64.12 112.598 -176.292 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -166.71 -33.17 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.696 0.284 . . . . 71.25 111.405 -179.086 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 67.88 79.91 0.23 Allowed Glycine 0 C--N 1.334 0.44 0 C-N-CA 121.01 -0.614 . . . . 53.13 112.322 -177.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -148.81 179.2 8.02 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.707 0.289 . . . . 45.11 110.85 -178.721 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -80.11 5.11 15.21 Favored 'General case' 0 N--CA 1.466 0.364 0 N-CA-C 112.424 0.527 . . . . 74.14 112.424 -175.657 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -72.86 179.9 37.34 Favored Glycine 0 CA--C 1.521 0.451 0 C-N-CA 121.001 -0.619 . . . . 72.12 113.064 -177.443 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 44' ' ' THR . . . . . 0.765 ' H ' ' HA ' ' B' ' 30' ' ' LEU . 14.5 p -96.16 154.42 17.26 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 110.254 -0.276 . . . . 35.03 110.254 179.815 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 45' ' ' ASN . . . . . 0.649 ' HB2' ' HB3' ' B' ' 48' ' ' GLN . 1.7 m-20 -73.37 134.2 80.05 Favored Pre-proline 0 CA--C 1.538 0.506 0 N-CA-C 110.156 -0.313 . . . . 71.14 110.156 -177.211 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 46' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -60.39 -57.72 0.67 Allowed 'Trans proline' 0 C--N 1.355 0.888 0 C-N-CA 123.49 2.793 . . . . 54.41 113.663 -177.311 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 47' ' ' GLU . . . . . 0.541 ' OE1' ' HB3' ' B' ' 45' ' ' ASN . 0.0 OUTLIER -59.57 -35.31 74.02 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-O 121.071 0.462 . . . . 73.03 109.798 178.646 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 48' ' ' GLN . . . . . 0.649 ' HB3' ' HB2' ' B' ' 45' ' ' ASN . 0.8 OUTLIER -62.95 -38.45 91.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.651 -0.704 . . . . 65.22 110.118 173.354 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -62.82 -46.76 86.45 Favored 'General case' 0 C--O 1.235 0.31 0 N-CA-C 109.46 -0.57 . . . . 73.15 109.46 -178.363 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 27.9 t80 -62.3 -43.34 99.06 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 116.357 -0.383 . . . . 74.53 110.335 175.115 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.16 -45.03 79.84 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.11 -0.495 . . . . 63.22 110.989 177.301 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.54 -44.82 85.65 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.977 -0.556 . . . . 74.31 110.889 179.657 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 53' ' ' GLY . . . . . 0.482 ' HA3' HD12 ' A' ' 49' ' ' LEU . . . -61.06 -42.54 99.83 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.975 -0.631 . . . . 73.22 111.79 178.416 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 54' ' ' TYR . . . . . 0.551 ' HA ' ' SG ' ' B' ' 57' ' ' CYS . 0.8 OUTLIER -66.84 -52.2 46.54 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-O 120.841 0.353 . . . . 73.14 110.116 179.411 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 28.4 p -58.96 -37.97 78.01 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.488 -0.324 . . . . 71.55 110.736 -178.089 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 56' ' ' ALA . . . . . 0.535 ' HB1' HD21 ' A' ' 30' ' ' LEU . . . -73.08 -49.34 29.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.329 -0.396 . . . . 72.32 111.517 -179.343 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 57' ' ' CYS . . . . . 0.551 ' SG ' ' HA ' ' B' ' 54' ' ' TYR . 31.7 p -60.01 -36.26 76.84 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 116.376 -0.374 . . . . 72.4 110.357 -177.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 55.0 t80 -51.64 -34.1 36.41 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 115.839 -0.619 . . . . 52.32 111.122 -179.284 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -66.57 -48.93 68.06 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 120.694 0.283 . . . . 64.41 110.763 178.673 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 7.4 m -64.33 -44.37 91.76 Favored 'General case' 0 C--O 1.243 0.717 0 CA-C-O 121.548 0.689 . . . . 73.23 110.212 -179.655 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 61' ' ' ALA . . . . . 0.404 ' O ' HG23 ' B' ' 65' ' ' VAL . . . -59.37 -40.86 87.84 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.379 -0.828 . . . . 44.1 110.015 177.5 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 62' ' ' MET . . . . . 0.507 ' HG3' HD23 ' B' ' 73' ' ' LEU . 15.5 tpt -66.18 -32.76 74.4 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-N 115.895 -0.593 . . . . 71.0 110.318 179.02 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 63' ' ' LYS . . . . . 0.54 ' HA ' HD21 ' B' ' 73' ' ' LEU . 57.8 mttp -62.0 -48.08 81.93 Favored 'General case' 0 C--O 1.233 0.22 0 N-CA-C 109.631 -0.507 . . . . 72.03 109.631 174.583 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 58.9 t80 -56.52 -42.41 78.36 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 115.959 -0.564 . . . . 73.11 110.056 176.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 65' ' ' VAL . . . . . 0.404 HG23 ' O ' ' B' ' 61' ' ' ALA . 66.8 t -57.44 -51.55 68.28 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.145 0 CA-C-N 116.014 -0.539 . . . . 75.05 110.312 176.776 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 66' ' ' ALA . . . . . 0.474 ' HA ' ' HG3' ' B' ' 71' ' ' GLN . . . -57.77 -30.36 65.58 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.087 0.47 . . . . 74.13 110.477 179.078 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -70.68 -30.64 68.32 Favored Glycine 0 N--CA 1.45 -0.393 0 CA-C-N 115.447 -0.797 . . . . 75.04 112.46 -178.09 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -96.33 -17.63 20.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.489 0.662 . . . . 64.5 109.388 -178.723 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 69' ' ' ASN . . . . . 0.412 ' CB ' ' HG2' ' B' ' 71' ' ' GLN . 31.6 m-80 -97.96 -4.78 35.6 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.337 -0.847 . . . . 65.21 111.377 179.594 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 10.7 mptt 56.67 30.91 18.33 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-O 121.349 0.595 . . . . 73.12 111.147 177.198 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 71' ' ' GLN . . . . . 0.474 ' HG3' ' HA ' ' B' ' 66' ' ' ALA . 0.9 OUTLIER -111.82 168.83 9.26 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.519 -0.764 . . . . 74.24 110.589 -178.007 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 20.7 p -115.2 133.55 55.94 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.793 -0.64 . . . . 74.12 110.807 -179.199 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 73' ' ' LEU . . . . . 0.54 HD21 ' HA ' ' B' ' 63' ' ' LYS . 0.2 OUTLIER -109.44 149.66 40.1 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 75.15 110.996 179.362 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 74' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -79.43 127.58 7.44 Favored 'Trans proline' 0 CA--C 1.532 0.425 0 C-N-CA 122.766 2.311 . . . . 62.01 112.141 176.058 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -76.9 -6.82 54.0 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 121.235 0.541 . . . . 71.53 110.716 177.39 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -81.74 3.99 23.61 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 115.601 -0.727 . . . . 60.22 110.862 -179.027 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 77' ' ' THR . . . . . . . . . . . . . 8.8 t -81.67 167.76 18.83 Favored 'General case' 0 C--O 1.238 0.47 0 CA-C-N 115.876 -0.602 . . . . 73.25 111.998 -174.446 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 78' ' ' THR . . . . . 0.64 HG22 ' HA ' ' A' ' 12' ' ' THR . 0.9 OUTLIER -152.06 149.33 28.71 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 115.178 -0.919 . . . . 71.23 110.154 -179.611 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 75.0 t -133.64 112.65 17.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 121.277 0.561 . . . . 54.24 109.814 176.328 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 80' ' ' THR . . . . . 0.472 ' HA ' ' HA ' ' A' ' 10' ' ' THR . 27.0 m -102.45 110.58 22.57 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 115.898 -0.592 . . . . 72.42 110.5 -177.635 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -92.9 104.62 16.84 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.988 -0.551 . . . . 73.43 109.774 -179.765 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 82' ' ' GLU . . . . . 0.484 ' HA ' ' HA ' ' A' ' 8' ' ' ALA . 28.3 tt0 -104.18 107.64 18.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 71.23 109.869 -178.323 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 83' ' ' VAL . . . . . 0.45 HG12 HG22 ' B' ' 97' ' ' VAL . 29.9 m -103.35 146.25 11.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.98 -0.554 . . . . 71.44 110.894 -175.658 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 84' ' ' GLY . . . . . 0.43 ' HA2' ' HA ' ' A' ' 6' ' ' LYS . . . -134.77 159.97 24.1 Favored Glycine 0 N--CA 1.441 -0.986 0 N-CA-C 111.359 -0.696 . . . . 52.45 111.359 176.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -140.88 130.09 25.32 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.82 0 N-CA-C 109.271 -0.64 . . . . 73.1 109.271 -178.361 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 86' ' ' GLY . . . . . 0.718 ' HA2' ' HG ' ' A' ' 4' ' ' LEU . . . -148.0 169.81 28.7 Favored Glycine 0 N--CA 1.45 -0.385 0 O-C-N 124.343 1.027 . . . . 52.3 110.947 -178.907 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 87' ' ' PRO . . . . . 0.575 ' HD3' ' HG ' ' A' ' 4' ' ' LEU . 1.1 Cg_endo -81.65 123.15 4.16 Favored 'Trans proline' 0 N--CA 1.455 -0.784 0 C-N-CA 122.81 2.34 . . . . 61.3 111.608 -178.04 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 88' ' ' ASN . . . . . . . . . . . . . 50.4 t-20 -71.95 135.7 46.55 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 108.81 -0.811 . . . . 72.3 108.81 176.068 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -60.54 -16.74 40.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 123.268 0.355 . . . . 65.22 111.234 -178.065 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -67.33 -17.76 64.89 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-O 121.353 0.597 . . . . 74.05 110.62 176.332 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.59 35.26 3.34 Favored Glycine 0 N--CA 1.453 -0.21 0 CA-C-N 115.792 -0.64 . . . . 72.2 112.252 -179.398 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . -144.7 -154.42 6.13 Favored Glycine 0 N--CA 1.452 -0.256 0 N-CA-C 111.356 -0.698 . . . . 70.13 111.356 177.897 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 93' ' ' PHE . . . . . . . . . . . . . 65.4 m-85 -106.2 165.72 11.03 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.966 0.383 . . . . 73.12 110.191 176.052 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 94' ' ' ALA . . . . . 0.402 ' HB3' ' HE1' ' A' ' 1' ' ' MET . . . -149.29 133.21 17.07 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.178 -0.465 . . . . 62.21 110.041 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -101.72 121.14 41.5 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.997 -0.547 . . . . 74.21 110.124 179.208 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 96' ' ' ASP . . . . . 0.491 ' HB3' HD11 ' A' ' 3' ' ' ILE . 34.2 t70 -111.06 110.1 20.49 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.491 -0.777 . . . . 73.53 109.009 178.537 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 97' ' ' VAL . . . . . 0.884 ' HB ' HG22 ' B' ' 134' ' ' VAL . 61.0 t -111.08 110.89 33.87 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.779 0 C-N-CA 120.874 -0.33 . . . . 65.34 111.414 -173.825 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 98' ' ' GLU . . . . . 0.477 ' HG2' ' HB3' ' B' ' 135' ' ' ARG . 44.4 mt-10 -93.18 105.15 17.27 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.275 -0.639 . . . . 74.42 109.275 173.664 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 20.9 tp -93.73 109.2 20.87 Favored 'General case' 0 C--O 1.239 0.546 0 N-CA-C 109.377 -0.601 . . . . 61.12 109.377 -177.627 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 100' ' ' ARG . . . . . 0.551 ' HA ' ' O ' ' B' ' 137' ' ' VAL . 22.9 ttt180 -99.55 128.83 45.67 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.209 -0.905 . . . . 64.11 110.328 -173.04 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 101' ' ' VAL . . . . . . . . . . . . . 88.9 t -121.42 108.35 22.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.284 -0.417 . . . . 60.12 111.234 -174.567 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -99.35 101.34 12.59 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.635 -0.506 . . . . 53.32 109.635 175.131 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 103' ' ' LEU . . . . . 0.55 HD12 ' HD2' ' B' ' 104' ' ' PRO . 19.5 tp -121.41 109.0 35.15 Favored Pre-proline 0 CA--C 1.533 0.301 0 N-CA-C 109.719 -0.475 . . . . 72.24 109.719 -175.389 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 104' ' ' PRO . . . . . 0.55 ' HD2' HD12 ' B' ' 103' ' ' LEU . 81.3 Cg_endo -74.94 156.57 43.26 Favored 'Trans proline' 0 C--N 1.348 0.511 0 C-N-CA 123.037 2.492 . . . . 74.24 112.583 -173.412 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 105' ' ' GLY . . . . . . . . . . . . . . . 72.89 15.13 78.28 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.845 -0.693 . . . . 72.34 111.982 -179.615 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 106' ' ' LEU . . . . . 0.504 ' CD2' HD23 ' B' ' 103' ' ' LEU . 20.2 tp -138.12 139.58 39.51 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 122.737 0.415 . . . . 60.53 110.818 -175.572 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -73.18 143.41 47.22 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-N 115.9 -0.591 . . . . 63.12 110.166 175.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -64.4 -39.46 93.9 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.021 0.438 . . . . 34.32 110.589 177.201 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -56.77 -45.88 81.82 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.969 -0.559 . . . . 64.51 110.636 179.203 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 110' ' ' ALA . . . . . 0.594 ' O ' HG22 ' B' ' 113' ' ' THR . . . -74.09 -38.54 63.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.968 -0.56 . . . . 72.03 110.045 178.342 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -56.78 -34.61 67.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.759 -0.655 . . . . 64.14 111.088 -179.265 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 112' ' ' LYS . . . . . . . . . . . . . 55.9 mttp -54.17 -49.33 69.53 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 116.446 -0.343 . . . . 74.45 110.874 176.767 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 113' ' ' THR . . . . . 0.594 HG22 ' O ' ' B' ' 110' ' ' ALA . 2.6 t -74.58 -36.3 63.04 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-O 120.854 0.359 . . . . 72.03 110.527 -176.749 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 114' ' ' LEU . . . . . 0.461 ' HG ' ' O ' ' B' ' 110' ' ' ALA . 46.0 mt -64.25 -50.06 69.44 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 115.999 -0.546 . . . . 70.23 110.786 -178.815 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 115' ' ' VAL . . . . . . . . . . . . . 96.8 t -62.36 -37.39 78.56 Favored 'Isoleucine or valine' 0 C--O 1.24 0.59 0 CA-C-O 121.088 0.471 . . . . 63.55 109.87 178.478 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -59.85 -59.64 5.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.418 -0.81 . . . . 75.43 110.838 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 117' ' ' ARG . . . . . . . . . . . . . 14.2 ptm180 -64.15 -34.09 77.27 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 121.132 0.491 . . . . 70.2 110.198 -177.114 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -58.66 -38.98 79.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.614 -0.721 . . . . 61.11 109.695 174.373 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 119' ' ' HIS . . . . . 0.63 ' HA ' ' HB3' ' B' ' 125' ' ' SER . 15.3 m80 -71.24 6.55 1.65 Allowed 'General case' 0 CA--C 1.533 0.298 0 N-CA-C 112.732 0.642 . . . . 74.31 112.732 177.366 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 19.3 t-80 -108.45 -38.25 5.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.603 0.239 . . . . 61.52 110.965 173.639 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 33.2 m -76.87 -30.45 18.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 N-CA-C 112.412 0.523 . . . . 63.42 112.412 -172.293 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 122' ' ' CYS . . . . . 0.401 ' HA ' ' HD3' ' B' ' 123' ' ' PRO . 23.2 p -106.38 141.69 23.31 Favored Pre-proline 0 C--O 1.237 0.424 0 CA-C-O 120.609 0.242 . . . . 74.53 111.597 -174.865 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 123' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' B' ' 122' ' ' CYS . 32.5 Cg_exo -58.8 169.05 3.65 Favored 'Trans proline' 0 C--N 1.354 0.83 0 C-N-CA 122.961 2.441 . . . . 65.25 111.368 174.034 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 124' ' ' TYR . . . . . . . . . . . . . 43.7 m-85 69.1 -62.55 0.4 Allowed 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 123.068 0.547 . . . . 65.35 109.527 -172.843 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 125' ' ' SER . . . . . 0.63 ' HB3' ' HA ' ' B' ' 119' ' ' HIS . 45.3 m -55.94 -40.94 73.9 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 115.806 -0.634 . . . . 64.23 111.55 177.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 126' ' ' ASN . . . . . . . . . . . . . 28.9 p-10 -61.92 -41.76 98.3 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.096 0.474 . . . . 74.24 110.016 177.513 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 127' ' ' ALA . . . . . 0.607 ' O ' ' HB3' ' B' ' 131' ' ' ASN . . . -83.69 1.54 42.08 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.426 -0.806 . . . . 65.3 111.759 -177.061 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 128' ' ' THR . . . . . 0.552 ' OG1' HG21 ' B' ' 134' ' ' VAL . 0.6 OUTLIER -105.81 -10.83 16.5 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 120.597 -0.441 . . . . 55.14 110.252 -173.136 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 129' ' ' ARG . . . . . 0.539 ' HD2' ' HB3' ' B' ' 119' ' ' HIS . 15.6 ptm180 -109.02 -51.47 2.88 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 116.688 -0.233 . . . . 75.21 110.5 -174.329 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 130' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -78.77 -52.89 7.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.984 0.421 . . . . 74.14 110.962 175.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 131' ' ' ASN . . . . . 0.607 ' HB3' ' O ' ' B' ' 127' ' ' ALA . 0.2 OUTLIER -66.94 -43.95 81.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.747 -0.661 . . . . 75.43 110.978 -175.653 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 132' ' ' VAL . . . . . 0.474 HG23 ' O ' ' B' ' 127' ' ' ALA . 23.4 t -119.88 160.3 20.32 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.317 0 CA-C-N 116.24 -0.436 . . . . 52.13 111.209 -169.46 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 133' ' ' ALA . . . . . 0.406 ' N ' HG12 ' B' ' 132' ' ' VAL . . . -89.52 95.87 10.46 Favored 'General case' 0 C--O 1.244 0.776 0 CA-C-O 121.744 0.783 . . . . 72.23 111.12 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 134' ' ' VAL . . . . . 0.884 HG22 ' HB ' ' B' ' 97' ' ' VAL . 71.0 t -125.94 109.3 21.18 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.448 0 CA-C-N 115.038 -0.983 . . . . 61.1 110.867 -179.344 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 135' ' ' ARG . . . . . 0.477 ' HB3' ' HG2' ' B' ' 98' ' ' GLU . 27.2 tpt180 -70.96 110.94 5.97 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.549 -0.75 . . . . 74.32 109.575 175.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 136' ' ' LEU . . . . . 0.41 HD23 ' HA ' ' B' ' 136' ' ' LEU . 44.1 mt -79.87 107.45 12.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.178 -0.465 . . . . 72.41 110.325 177.626 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 137' ' ' VAL . . . . . 0.551 ' O ' ' HA ' ' B' ' 100' ' ' ARG . 0.3 OUTLIER -118.07 112.2 37.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.416 -0.811 . . . . 72.22 110.142 -178.118 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 138' ' ' VAL . . . . . . . . . . . . . 3.2 m -103.0 138.11 28.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.766 -0.652 . . . . 70.52 109.643 -178.236 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 139' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.301 0 CA-C-N 115.367 -0.833 . . . . 71.35 111.666 -171.489 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.5 ptm . . . . . 0 N--CA 1.486 1.335 0 N-CA-C 109.835 -0.432 . . . . 71.43 109.835 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 55.0 t30 -98.05 85.19 3.43 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.211 0.529 . . . . 75.52 109.887 -179.497 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.55 HG21 ' HB2' ' A' ' 6' ' ' LYS . 33.3 mm -70.09 126.06 29.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.572 -0.74 . . . . 51.02 111.717 -179.105 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.662 ' HG ' ' HD3' ' B' ' 87' ' ' PRO . 87.2 mt -81.27 -42.29 20.87 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.599 -0.728 . . . . 74.21 109.833 175.674 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 48.7 t80 -142.19 132.11 24.39 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 116.052 -0.522 . . . . 54.43 110.553 -178.476 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.55 ' HB2' HG21 ' A' ' 3' ' ' ILE . 27.6 ttmt -137.6 144.45 41.99 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.892 0.377 . . . . 62.42 110.159 176.905 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.644 HG21 HD21 ' B' ' 45' ' ' ASN . 10.9 t -142.84 143.53 32.15 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.662 -0.699 . . . . 73.02 109.995 -177.761 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.52 ' HA ' ' HA ' ' B' ' 82' ' ' GLU . . . -111.6 136.42 50.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 64.34 110.723 -177.278 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.54 ' HA ' ' HA ' ' A' ' 21' ' ' SER . . . -130.14 117.05 19.34 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.075 -0.512 . . . . 65.14 109.705 175.409 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.538 ' HA ' ' HA ' ' B' ' 80' ' ' THR . 6.5 t -95.38 129.58 42.48 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.053 0.454 . . . . 73.43 109.839 -177.612 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.405 ' HA ' ' O ' ' A' ' 18' ' ' ARG . 83.6 p -114.26 113.56 24.78 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.955 -0.566 . . . . 71.32 109.882 -179.639 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 5.0 m -107.07 160.17 15.75 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 116.202 -0.454 . . . . 72.12 110.858 -175.566 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -81.4 75.57 2.29 Favored Glycine 0 N--CA 1.446 -0.649 0 C-N-CA 120.661 -0.78 . . . . 62.44 111.954 175.082 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -59.82 -105.43 0.01 OUTLIER Glycine 0 C--N 1.342 0.878 0 C-N-CA 121.114 -0.565 . . . . 62.02 112.633 175.292 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 27.2 mmm180 -88.95 -48.68 7.27 Favored 'General case' 0 N--CA 1.465 0.295 0 O-C-N 122.356 -0.496 . . . . 73.04 110.333 175.355 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -125.65 -42.76 1.91 Allowed 'General case' 0 C--O 1.236 0.353 0 N-CA-C 108.906 -0.776 . . . . 74.22 108.906 170.059 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -161.84 161.47 33.33 Favored Glycine 0 N--CA 1.444 -0.801 0 N-CA-C 111.025 -0.83 . . . . 73.12 111.025 166.568 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.497 ' HA ' ' HA ' ' A' ' 29' ' ' LYS . 55.5 ttp180 -141.66 144.41 34.12 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 109.774 -0.454 . . . . 73.24 109.774 177.463 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.609 ' HB1' ' HB1' ' B' ' 52' ' ' ALA . . . -130.49 123.87 30.68 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.545 -0.539 . . . . 71.12 109.545 178.936 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.436 HG23 ' HB2' ' A' ' 27' ' ' ASP . 24.5 m -137.5 111.35 8.24 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.185 -0.461 . . . . 63.53 110.701 -175.457 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.54 ' HA ' ' HA ' ' A' ' 9' ' ' ALA . 46.1 t -72.3 109.03 5.75 Favored 'General case' 0 C--O 1.244 0.792 0 N-CA-C 107.64 -1.244 . . . . 62.3 107.64 175.717 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.401 ' C ' ' H ' ' A' ' 24' ' ' GLN . 85.0 t60 -54.1 -20.18 6.16 Favored 'General case' 0 N--CA 1.467 0.412 0 O-C-N 125.94 2.025 . . . . 71.44 112.636 -169.036 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.536 ' HB2' ' HE2' ' A' ' 25' ' ' LYS . 4.5 m-20 -80.28 16.08 1.39 Allowed 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.784 -0.45 . . . . 73.43 109.784 177.798 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.401 ' H ' ' C ' ' A' ' 22' ' ' HIS . 32.5 mm-40 64.86 16.01 10.22 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 115.395 -0.821 . . . . 72.53 110.321 -179.252 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.536 ' HE2' ' HB2' ' A' ' 23' ' ' ASP . 55.8 mtmt -84.33 -18.66 35.55 Favored 'General case' 0 N--CA 1.451 -0.425 0 CA-C-N 115.639 -0.71 . . . . 73.44 110.605 -179.488 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.54 ' N ' ' HB3' ' A' ' 21' ' ' SER . 55.7 tp -150.13 145.29 26.23 Favored 'General case' 0 C--N 1.342 0.258 0 C-N-CA 120.181 -0.608 . . . . 74.42 111.113 175.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.436 ' HB2' HG23 ' A' ' 20' ' ' THR . 18.7 t70 -162.85 95.39 0.88 Allowed 'General case' 0 C--O 1.233 0.232 0 O-C-N 123.636 0.585 . . . . 74.13 110.152 174.417 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.493 ' O ' ' HG3' ' A' ' 18' ' ' ARG . 3.4 m -145.35 176.59 1.96 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.504 0 CA-C-N 116.035 -0.529 . . . . 62.12 111.018 178.077 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.497 ' HA ' ' HA ' ' A' ' 18' ' ' ARG . 0.8 OUTLIER -125.86 144.16 50.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.809 -0.632 . . . . 62.42 110.314 -177.876 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.878 ' HA ' ' H ' ' A' ' 44' ' ' THR . 0.0 OUTLIER -128.55 167.65 16.82 Favored 'General case' 0 C--O 1.252 1.189 0 CA-C-O 121.065 0.459 . . . . 64.12 110.777 177.993 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.427 ' OG ' ' HB3' ' A' ' 41' ' ' ALA . 34.7 m -149.62 137.98 20.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.253 -0.885 . . . . 75.34 110.82 -175.406 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -76.1 131.31 75.91 Favored Pre-proline 0 C--O 1.24 0.588 0 CA-C-N 116.052 -0.522 . . . . 52.21 110.468 176.637 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.465 ' HG3' ' ND2' ' A' ' 45' ' ' ASN . 54.3 Cg_exo -52.14 119.58 5.99 Favored 'Trans proline' 0 C--N 1.35 0.646 0 C-N-CA 122.885 2.39 . . . . 73.33 111.835 178.752 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.593 ' HB2' ' N ' ' A' ' 40' ' ' GLY . 39.4 ttt85 -67.71 -16.0 63.92 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.821 0.343 . . . . 50.12 110.604 -176.2 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 51.2 mm-40 -49.73 -34.7 19.72 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 115.677 -0.692 . . . . 75.14 110.54 173.587 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 26.8 mt -101.05 11.68 39.11 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.176 -0.92 . . . . 63.44 110.816 -172.411 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 90.61 55.67 1.88 Allowed Glycine 0 C--N 1.332 0.328 0 CA-C-N 115.907 -0.588 . . . . 72.22 112.626 178.523 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.485 ' H ' ' HA ' ' A' ' 34' ' ' ARG . . . -133.34 -136.97 3.8 Favored Glycine 0 N--CA 1.452 -0.258 0 N-CA-C 111.884 -0.486 . . . . 73.44 111.884 -178.766 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -105.25 -29.74 10.12 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 111.626 0.232 . . . . 63.22 111.626 -175.613 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.593 ' N ' ' HB2' ' A' ' 34' ' ' ARG . . . 53.06 39.66 57.72 Favored Glycine 0 CA--C 1.521 0.418 0 C-N-CA 121.32 -0.466 . . . . 45.53 113.198 -175.517 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.427 ' HB3' ' OG ' ' A' ' 31' ' ' SER . . . -78.52 163.15 25.8 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 110.152 -0.314 . . . . 44.21 110.152 178.12 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -75.22 67.98 1.91 Allowed 'General case' 0 C--O 1.234 0.266 0 CA-C-O 121.444 0.64 . . . . 71.23 111.096 -178.872 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -125.62 -165.71 12.13 Favored Glycine 0 N--CA 1.448 -0.511 0 CA-C-N 115.753 -0.658 . . . . 55.55 112.186 179.366 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.878 ' H ' ' HA ' ' A' ' 30' ' ' LEU . 40.1 m -91.83 146.06 24.06 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.989 -0.375 . . . . 74.01 109.989 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.554 ' HB2' ' HB3' ' A' ' 48' ' ' GLN . 12.7 m120 -77.83 117.85 68.41 Favored Pre-proline 0 C--N 1.328 -0.336 0 N-CA-C 109.951 -0.389 . . . . 72.33 109.951 176.178 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 86.6 Cg_exo -47.17 -42.93 26.4 Favored 'Trans proline' 0 C--N 1.348 0.542 0 C-N-CA 122.516 2.144 . . . . 63.04 111.823 174.464 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.467 ' CD ' ' H ' ' A' ' 47' ' ' GLU . 1.9 mp0 -59.41 -50.44 73.94 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 115.599 -0.728 . . . . 62.13 109.523 178.334 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.554 ' HB3' ' HB2' ' A' ' 45' ' ' ASN . 0.9 OUTLIER -63.4 -34.31 77.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 114.989 -1.005 . . . . 72.35 110.967 -178.037 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.601 HD12 ' HA3' ' B' ' 53' ' ' GLY . 2.8 tm? -67.67 -52.76 34.22 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.528 -0.545 . . . . 71.11 109.528 -178.531 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 53.6 t80 -59.81 -45.69 91.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.027 -0.533 . . . . 64.45 110.611 178.01 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.418 ' HB2' HG11 ' A' ' 83' ' ' VAL . . . -51.7 -53.05 43.33 Favored 'General case' 0 C--O 1.238 0.474 0 CA-C-N 115.964 -0.562 . . . . 52.03 111.316 176.476 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.47 ' HB1' ' HB1' ' B' ' 19' ' ' ALA . . . -59.82 -48.13 82.94 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.576 -0.738 . . . . 51.43 111.174 -179.04 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.405 ' HA3' HD12 ' B' ' 49' ' ' LEU . . . -65.63 -38.05 94.21 Favored Glycine 0 CA--C 1.518 0.241 0 C-N-CA 121.061 -0.59 . . . . 45.35 112.708 -178.906 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.588 ' HA ' ' SG ' ' A' ' 57' ' ' CYS . 1.7 t80 -66.59 -45.01 80.61 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.215 0.531 . . . . 71.4 110.253 -178.795 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.678 ' OG ' ' HB2' ' A' ' 81' ' ' ALA . 24.0 m -68.52 -47.78 66.06 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.211 -0.449 . . . . 50.31 109.918 178.405 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.427 ' HB2' ' HB2' ' B' ' 19' ' ' ALA . . . -56.52 -38.53 71.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.986 -0.552 . . . . 72.41 110.81 179.458 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.588 ' SG ' ' HA ' ' A' ' 54' ' ' TYR . 29.7 p -73.59 -35.87 65.47 Favored 'General case' 0 N--CA 1.453 -0.317 0 N-CA-C 109.808 -0.442 . . . . 74.4 109.808 177.644 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 12.0 t80 -60.0 -35.57 75.33 Favored 'General case' 0 CA--C 1.533 0.32 0 N-CA-C 110.022 -0.362 . . . . 64.12 110.022 -179.435 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -62.26 -59.0 5.65 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 116.292 -0.413 . . . . 74.12 110.556 175.163 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.515 ' HA ' ' HD3' ' A' ' 63' ' ' LYS . 18.0 t -60.05 -32.97 71.43 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-O 121.007 0.432 . . . . 74.4 110.362 -178.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.427 ' O ' HG23 ' A' ' 65' ' ' VAL . . . -65.29 -44.72 87.05 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.03 -0.532 . . . . 64.15 109.905 177.475 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.45 -33.33 74.62 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.973 -0.558 . . . . 61.32 110.498 176.527 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.515 ' HD3' ' HA ' ' A' ' 60' ' ' SER . 9.3 mtpm? -66.09 -48.19 71.77 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.23 -0.441 . . . . 62.32 110.266 177.393 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 57.2 t80 -62.93 -45.88 90.39 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 116.146 -0.479 . . . . 70.35 110.289 177.806 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.427 HG23 ' O ' ' A' ' 61' ' ' ALA . 47.1 t -56.63 -50.74 72.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.887 -0.597 . . . . 51.41 110.34 177.17 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -57.37 -34.43 68.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.159 0.504 . . . . 55.45 110.167 179.075 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -67.23 -33.92 84.22 Favored Glycine 0 N--CA 1.448 -0.562 0 CA-C-N 115.093 -0.958 . . . . 65.01 111.951 -177.687 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -96.28 -11.64 25.66 Favored 'General case' 0 C--O 1.224 -0.268 0 N-CA-C 109.473 -0.565 . . . . 73.33 109.473 -179.012 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -96.26 0.15 50.52 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.686 -0.688 . . . . 73.35 111.053 178.896 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 22.9 mmtm 61.13 31.5 19.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.371 -0.831 . . . . 70.5 110.619 174.311 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -122.97 167.69 13.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.485 . . . . 65.11 110.704 -178.181 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 36.3 p -119.69 142.28 48.63 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.793 -0.64 . . . . 71.13 110.292 178.171 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 98.1 mt -109.28 143.91 28.68 Favored Pre-proline 0 C--N 1.326 -0.439 0 CA-C-N 116.282 -0.417 . . . . 63.13 110.375 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.509 ' O ' HG22 ' A' ' 77' ' ' THR . 43.5 Cg_exo -58.56 134.76 63.07 Favored 'Trans proline' 0 C--N 1.348 0.505 0 C-N-CA 123.027 2.484 . . . . 75.32 112.092 178.593 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -77.19 -1.93 31.96 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.692 0.627 . . . . 74.43 112.692 -176.57 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -106.54 8.02 31.12 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-O 121.216 0.532 . . . . 72.44 111.133 -177.785 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.509 HG22 ' O ' ' A' ' 74' ' ' PRO . 9.9 t -74.76 153.76 38.65 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-O 121.259 0.552 . . . . 73.42 111.454 -176.689 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 26.9 m -151.96 150.59 30.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.823 -0.626 . . . . 65.01 110.306 -177.16 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 82.0 t -125.94 128.16 71.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 N-CA-C 109.887 -0.412 . . . . 73.54 109.887 176.191 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 87.0 m -112.6 117.17 31.55 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 110.205 -0.295 . . . . 61.0 110.205 177.002 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.678 ' HB2' ' OG ' ' A' ' 55' ' ' SER . . . -93.22 117.21 29.81 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.173 -0.467 . . . . 75.0 109.984 178.037 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.6 ' HG2' ' HD3' ' B' ' 6' ' ' LYS . 30.9 tt0 -112.71 107.34 15.97 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 107.76 -1.2 . . . . 74.0 107.76 178.139 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.418 HG11 ' HB2' ' A' ' 51' ' ' ALA . 14.4 m -109.8 139.27 33.67 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-N 116.095 -0.502 . . . . 74.25 111.186 -171.679 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.425 ' HA2' ' HA ' ' B' ' 6' ' ' LYS . . . -138.32 161.8 25.68 Favored Glycine 0 N--CA 1.437 -1.3 0 CA-C-N 115.526 -0.761 . . . . 64.22 111.663 179.286 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -134.13 129.88 54.25 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.914 0 N-CA-C 108.832 -0.803 . . . . 71.32 108.832 178.037 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' GLY . . . . . 0.408 ' HA2' ' HG ' ' B' ' 4' ' ' LEU . . . -144.59 169.65 26.44 Favored Glycine 0 N--CA 1.453 -0.178 0 CA-C-N 115.495 -0.775 . . . . 64.2 111.366 179.7 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.701 ' HD3' ' HG ' ' B' ' 4' ' ' LEU . 61.8 Cg_endo -90.31 138.36 2.72 Favored 'Trans proline' 0 N--CA 1.452 -0.97 0 C-N-CA 122.827 2.351 . . . . 75.13 112.342 -178.648 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -94.74 147.87 22.87 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.789 -0.641 . . . . 63.43 109.569 178.205 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -63.37 -15.04 56.29 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.0 0.37 . . . . 74.31 112.0 -177.05 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -70.14 -21.46 63.08 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-O 121.034 0.445 . . . . 62.35 110.721 175.197 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.35 35.42 3.36 Favored Glycine 0 CA--C 1.518 0.257 0 CA-C-N 116.124 -0.489 . . . . 52.42 112.966 178.308 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -141.06 -172.62 13.15 Favored Glycine 0 C--N 1.33 0.217 0 N-CA-C 111.173 -0.771 . . . . 74.12 111.173 176.853 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 29.4 m-85 -97.9 155.85 16.88 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 117.25 0.525 . . . . 72.25 110.243 176.543 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.446 ' HB3' ' HE1' ' B' ' 1' ' ' MET . . . -139.48 127.47 22.27 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.003 -0.544 . . . . 73.43 109.876 -177.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -97.27 125.33 41.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.995 -0.548 . . . . 75.45 110.418 -179.601 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -110.11 113.1 25.53 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.097 -0.956 . . . . 62.1 109.613 178.606 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 60.4 t -107.79 110.58 32.42 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.107 0 N-CA-C 109.542 -0.54 . . . . 41.42 109.542 177.619 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -98.7 102.28 13.96 Favored 'General case' 0 C--N 1.315 -0.899 0 N-CA-C 109.506 -0.553 . . . . 51.52 109.506 -177.775 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.435 ' HB2' HD23 ' A' ' 136' ' ' LEU . 88.9 mt -93.81 107.83 19.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.268 -0.423 . . . . 73.33 110.063 -177.696 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.552 ' HA ' ' O ' ' A' ' 137' ' ' VAL . 98.1 mtt180 -99.2 118.23 35.44 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.887 -0.597 . . . . 73.43 109.87 179.633 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.681 ' HB ' HG13 ' A' ' 138' ' ' VAL . 43.7 t -111.75 105.31 18.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 116.332 -0.395 . . . . 72.23 110.32 -173.428 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.551 ' HA ' ' HB3' ' A' ' 139' ' ' ALA . . . -91.79 101.33 13.93 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.71 -0.478 . . . . 73.1 109.71 177.798 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 19.1 mt -109.67 104.03 54.43 Favored Pre-proline 0 C--O 1.233 0.188 0 CA-C-N 115.247 -0.888 . . . . 73.31 109.617 178.253 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' PRO . . . . . 0.411 ' HG2' ' CB ' ' A' ' 74' ' ' PRO . 61.1 Cg_endo -70.68 151.28 63.72 Favored 'Trans proline' 0 N--CA 1.463 -0.298 0 C-N-CA 122.559 2.173 . . . . 73.52 112.269 -177.449 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 69.9 15.2 71.35 Favored Glycine 0 CA--C 1.52 0.401 0 CA-C-N 115.793 -0.64 . . . . 54.45 112.866 -179.181 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.484 HD21 ' HA ' ' A' ' 111' ' ' ALA . 21.9 tp -130.9 140.78 50.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.811 0.339 . . . . 65.03 110.739 -177.606 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -77.1 136.74 38.65 Favored 'General case' 0 CA--C 1.521 -0.146 0 CA-C-N 115.975 -0.557 . . . . 72.42 110.661 176.46 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -53.73 -38.8 64.7 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.079 -0.51 . . . . 74.35 111.421 179.177 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -56.26 -51.71 67.15 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 115.992 -0.549 . . . . 64.13 110.989 -179.327 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.54 ' O ' HG22 ' A' ' 113' ' ' THR . . . -74.28 -34.62 63.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.683 0.754 . . . . 73.25 109.781 179.803 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 111' ' ' ALA . . . . . 0.484 ' HA ' HD21 ' A' ' 106' ' ' LEU . . . -55.8 -37.3 68.43 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 114.918 -1.037 . . . . 54.13 111.084 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -57.15 -49.32 76.31 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.069 -0.514 . . . . 74.23 110.919 176.849 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' THR . . . . . 0.54 HG22 ' O ' ' A' ' 110' ' ' ALA . 1.2 t -71.07 -34.98 71.7 Favored 'General case' 0 C--N 1.332 -0.154 0 C-N-CA 121.025 -0.27 . . . . 74.22 110.466 -175.541 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.464 ' HG ' ' O ' ' A' ' 110' ' ' ALA . 45.2 mt -63.68 -51.59 64.43 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 120.849 0.357 . . . . 61.01 110.442 179.453 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 97.6 t -66.83 -32.5 58.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.1 -0.5 . . . . 72.22 110.707 178.865 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -62.61 -58.72 6.52 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 120.681 0.277 . . . . 63.5 110.375 178.309 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' ARG . . . . . 0.501 ' HG2' ' O ' ' A' ' 113' ' ' THR . 14.7 ptm180 -60.01 -38.89 83.98 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-O 121.01 0.433 . . . . 65.24 110.215 -179.151 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -61.39 -40.04 92.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.815 -0.63 . . . . 63.41 110.368 175.631 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' HIS . . . . . 0.467 ' CG ' HD11 ' A' ' 136' ' ' LEU . 7.8 t-80 -71.31 -4.35 25.52 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 115.604 -0.725 . . . . 74.13 110.741 179.356 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 36.6 m170 -100.21 -51.68 3.59 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 120.989 0.424 . . . . 75.14 110.327 176.383 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 35.4 m -69.89 -38.72 76.4 Favored 'Isoleucine or valine' 0 C--O 1.233 0.208 0 CA-C-N 115.502 -0.772 . . . . 74.54 113.0 -169.326 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 122' ' ' CYS . . . . . 0.418 ' N ' ' HD3' ' A' ' 123' ' ' PRO . 79.8 m -143.8 67.65 15.94 Favored Pre-proline 0 CA--C 1.534 0.33 0 N-CA-C 112.349 0.5 . . . . 72.12 112.349 -176.523 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 123' ' ' PRO . . . . . 0.418 ' HD3' ' N ' ' A' ' 122' ' ' CYS . 62.8 Cg_endo -101.71 -165.49 0.05 OUTLIER 'Trans proline' 0 N--CA 1.452 -0.957 0 C-N-CA 123.614 2.876 . . . . 74.45 111.213 169.758 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 124' ' ' TYR . . . . . 0.53 ' CE2' ' SG ' ' A' ' 57' ' ' CYS . 4.4 m-30 -81.22 -19.2 43.73 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 120.891 0.377 . . . . 65.44 110.141 173.924 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 125' ' ' SER . . . . . 0.425 ' O ' HG22 ' A' ' 128' ' ' THR . 38.5 t 176.9 165.04 0.5 Allowed 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 115.499 -0.773 . . . . 62.44 109.137 177.613 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 126' ' ' ASN . . . . . 0.52 ' O ' ' HG2' ' A' ' 129' ' ' ARG . 27.1 t-20 -66.99 -31.4 71.95 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.705 0.764 . . . . 73.42 109.146 172.657 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 127' ' ' ALA . . . . . 0.533 ' CB ' ' HB3' ' B' ' 127' ' ' ALA . . . -65.07 6.54 0.24 Allowed 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 114.794 -1.093 . . . . 54.1 112.423 179.085 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 128' ' ' THR . . . . . 0.44 HG23 ' CE1' ' A' ' 119' ' ' HIS . 13.0 t -88.34 -2.65 58.72 Favored 'General case' 0 CA--C 1.51 -0.571 0 N-CA-C 108.191 -1.041 . . . . 73.21 108.191 -173.592 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 129' ' ' ARG . . . . . 0.52 ' HG2' ' O ' ' A' ' 126' ' ' ASN . 2.6 ptm180 -127.71 -48.19 1.39 Allowed 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 114.937 -1.029 . . . . 72.04 112.06 -177.798 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 130' ' ' ASN . . . . . 0.428 ' ND2' ' H ' ' A' ' 130' ' ' ASN . 0.4 OUTLIER -78.4 -51.93 9.32 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-O 121.269 0.557 . . . . 71.52 110.893 178.384 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 131' ' ' ASN . . . . . 0.516 ' HB3' ' O ' ' A' ' 127' ' ' ALA . 4.7 t-20 -71.55 -44.04 65.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.285 -0.87 . . . . 72.12 111.207 -175.592 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 41.1 t -113.68 133.3 60.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.737 -0.665 . . . . 70.22 110.225 -170.781 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -73.6 89.68 1.74 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.734 0.778 . . . . 45.42 111.259 -177.809 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 65.5 t -112.32 105.14 18.22 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.67 0 CA-C-N 115.129 -0.942 . . . . 75.02 109.887 174.199 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 73.0 ttt180 -76.06 103.07 5.94 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.123 -0.944 . . . . 72.41 110.308 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.467 HD11 ' CG ' ' A' ' 119' ' ' HIS . 30.7 mt -80.26 120.0 23.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.302 -0.408 . . . . 50.04 110.06 176.091 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 137' ' ' VAL . . . . . 0.552 ' O ' ' HA ' ' A' ' 100' ' ' ARG . 0.1 OUTLIER -129.63 114.63 31.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 N-CA-C 108.855 -0.794 . . . . 74.42 108.855 177.929 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 138' ' ' VAL . . . . . 0.681 HG13 ' HB ' ' A' ' 101' ' ' VAL . 2.4 t -112.22 133.73 57.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-O 120.976 0.417 . . . . 53.11 110.077 -175.09 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 139' ' ' ALA . . . . . 0.551 ' HB3' ' HA ' ' A' ' 102' ' ' ALA . . . . . . . . 0 C--N 1.322 -0.608 0 CA-C-N 115.604 -0.726 . . . . 73.13 111.01 -175.034 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.576 ' HE3' HD13 ' B' ' 3' ' ' ILE . 20.5 ptt? . . . . . 0 C--O 1.233 0.216 0 CA-C-O 120.688 0.28 . . . . 72.42 110.915 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 50.9 t30 -77.39 73.13 3.96 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 121.478 0.656 . . . . 61.35 110.521 178.912 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 3' ' ' ILE . . . . . 0.576 HD13 ' HE3' ' B' ' 1' ' ' MET . 25.7 mm -60.17 132.09 25.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.259 -0.882 . . . . 72.42 111.314 175.125 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.701 ' HG ' ' HD3' ' A' ' 87' ' ' PRO . 93.8 mt -83.62 -48.19 10.47 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.663 -0.699 . . . . 75.25 110.197 176.457 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 5' ' ' TYR . . . . . . . . . . . . . 35.5 t80 -135.54 126.47 27.66 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 116.333 -0.394 . . . . 75.45 110.704 -179.323 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 6' ' ' LYS . . . . . 0.6 ' HD3' ' HG2' ' A' ' 82' ' ' GLU . 28.7 ttmt -134.43 135.72 42.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.998 0.428 . . . . 65.01 110.936 177.026 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 10.9 t -134.01 150.34 51.23 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 115.593 -0.731 . . . . 72.52 109.058 177.546 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 8' ' ' ALA . . . . . 0.451 ' HB2' ' HG3' ' A' ' 82' ' ' GLU . . . -121.82 143.51 49.36 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-O 121.193 0.52 . . . . 64.22 111.81 -173.782 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 9' ' ' ALA . . . . . 0.608 ' HA ' ' H ' ' B' ' 22' ' ' HIS . . . -139.16 130.95 27.54 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.735 -0.666 . . . . 31.45 110.352 178.512 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 90.2 m -103.02 124.04 47.75 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.103 -0.499 . . . . 64.31 110.732 -178.059 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 73.9 p -114.94 118.9 34.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.836 0.351 . . . . 74.14 110.409 177.19 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 3.1 m -101.02 155.65 17.86 Favored 'General case' 0 C--O 1.238 0.452 0 CA-C-N 116.289 -0.414 . . . . 53.42 110.585 -179.753 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -83.62 74.79 2.47 Favored Glycine 0 N--CA 1.449 -0.47 0 N-CA-C 111.535 -0.626 . . . . 71.12 111.535 176.205 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -63.33 -100.29 0.01 OUTLIER Glycine 0 C--N 1.335 0.494 0 N-CA-C 111.998 -0.441 . . . . 73.4 111.998 178.662 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 16.7 mmt180 -88.83 -55.53 3.66 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.852 0.358 . . . . 65.14 110.079 172.453 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 16' ' ' ASP . . . . . 0.548 ' HB3' ' HA ' ' B' ' 31' ' ' SER . 37.0 t70 -126.2 -42.81 1.83 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.067 -0.515 . . . . 65.33 109.727 173.611 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -160.3 146.68 12.93 Favored Glycine 0 C--N 1.342 0.872 0 C-N-CA 120.491 -0.861 . . . . 74.22 111.724 166.68 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 18' ' ' ARG . . . . . 0.465 ' HA ' ' HA ' ' B' ' 29' ' ' LYS . 3.1 tmm_? -135.52 105.68 6.31 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 108.768 -0.827 . . . . 74.4 108.768 178.233 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 19' ' ' ALA . . . . . 0.47 ' HB1' ' HB1' ' A' ' 52' ' ' ALA . . . -101.28 123.93 46.17 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.41 -0.359 . . . . 64.21 110.757 -174.63 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 20' ' ' THR . . . . . 0.424 HG23 ' O ' ' B' ' 26' ' ' LEU . 50.1 m -132.51 117.49 18.07 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.201 -0.454 . . . . 75.11 110.659 -176.474 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 21' ' ' SER . . . . . 0.54 ' HB3' ' N ' ' B' ' 26' ' ' LEU . 27.4 t -67.2 110.39 3.46 Favored 'General case' 0 C--O 1.248 0.983 0 N-CA-C 106.858 -1.534 . . . . 74.21 106.858 174.212 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 22' ' ' HIS . . . . . 0.608 ' H ' ' HA ' ' B' ' 9' ' ' ALA . 22.8 t60 -50.43 -38.44 43.25 Favored 'General case' 0 N--CA 1.471 0.583 0 O-C-N 126.506 2.379 . . . . 73.12 112.682 -162.634 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 23' ' ' ASP . . . . . 0.472 ' OD2' ' HE2' ' B' ' 25' ' ' LYS . 12.6 p30 -80.41 23.82 0.48 Allowed 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 115.898 -0.592 . . . . 63.54 110.679 -177.698 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 24' ' ' GLN . . . . . 0.407 ' H ' ' C ' ' B' ' 22' ' ' HIS . 31.3 mm-40 68.54 22.34 7.72 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 115.153 -0.93 . . . . 71.43 111.281 174.396 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 25' ' ' LYS . . . . . 0.472 ' HE2' ' OD2' ' B' ' 23' ' ' ASP . 44.8 mtmt -79.84 -25.25 40.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.321 -0.4 . . . . 41.25 110.685 174.486 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 26' ' ' LEU . . . . . 0.54 ' N ' ' HB3' ' B' ' 21' ' ' SER . 27.7 tp -154.35 148.88 26.28 Favored 'General case' 0 CA--C 1.505 -0.776 0 C-N-CA 119.542 -0.863 . . . . 71.52 112.243 -178.16 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -154.59 101.72 2.35 Favored 'General case' 0 N--CA 1.444 -0.734 0 CA-C-N 114.743 -1.117 . . . . 53.33 109.942 178.304 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 3.6 m -145.14 176.36 2.15 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.643 0 CA-C-O 121.557 0.694 . . . . 74.12 112.267 178.556 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.465 ' HA ' ' HA ' ' B' ' 18' ' ' ARG . 19.5 ttmt -135.35 144.57 46.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 114.808 -1.087 . . . . 64.31 109.982 -178.546 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 30' ' ' LEU . . . . . 0.734 ' HA ' ' H ' ' B' ' 44' ' ' THR . 0.0 OUTLIER -129.83 159.74 35.63 Favored 'General case' 0 C--O 1.253 1.275 0 CA-C-N 116.256 -0.429 . . . . 72.32 110.123 173.114 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 31' ' ' SER . . . . . 0.548 ' HA ' ' HB3' ' B' ' 16' ' ' ASP . 50.0 m -157.07 137.87 13.32 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 115.41 -0.814 . . . . 62.35 110.724 -177.16 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 32' ' ' ALA . . . . . 0.409 ' HA ' ' HD2' ' B' ' 33' ' ' PRO . . . -51.41 113.58 4.12 Favored Pre-proline 0 C--O 1.24 0.566 0 CA-C-N 115.876 -0.602 . . . . 75.13 110.511 175.882 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 33' ' ' PRO . . . . . 0.609 ' HG2' HD23 ' B' ' 36' ' ' LEU . 9.6 Cg_endo -51.95 136.91 52.78 Favored 'Trans proline' 0 C--N 1.352 0.743 0 C-N-CA 123.005 2.47 . . . . 71.3 112.025 -177.5 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.38 -12.83 61.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 71.43 110.565 -175.893 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 35' ' ' GLU . . . . . 0.439 ' HB3' HD22 ' B' ' 36' ' ' LEU . 23.3 tp10 -55.7 -35.44 66.08 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-O 121.342 0.591 . . . . 72.42 110.077 175.914 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.609 HD23 ' HG2' ' B' ' 33' ' ' PRO . 2.4 mm? -96.56 14.7 23.83 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 115.664 -0.698 . . . . 63.52 110.581 179.203 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 74.42 25.64 69.95 Favored Glycine 0 N--CA 1.453 -0.213 0 N-CA-C 111.703 -0.559 . . . . 51.22 111.703 -177.688 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -72.4 -127.73 0.09 OUTLIER Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 121.265 -0.493 . . . . 64.12 112.749 -178.294 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -103.11 -21.42 13.9 Favored 'General case' 0 C--N 1.328 -0.343 0 O-C-N 122.72 -0.283 . . . . 71.25 111.47 -176.121 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 53.97 46.64 68.64 Favored Glycine 0 C--N 1.331 0.262 0 CA-C-N 116.136 -0.484 . . . . 53.13 113.42 -176.669 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -101.55 171.28 7.66 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.685 0.279 . . . . 45.11 110.26 177.797 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -85.33 69.64 10.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.784 0.802 . . . . 74.14 110.233 -174.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -138.4 -158.47 7.76 Favored Glycine 0 C--N 1.317 -0.507 0 CA-C-N 114.162 -1.381 . . . . 72.12 111.689 177.421 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 44' ' ' THR . . . . . 0.734 ' H ' ' HA ' ' B' ' 30' ' ' LEU . 14.9 t -123.43 177.78 5.47 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.767 -0.457 . . . . 35.03 109.767 179.38 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 45' ' ' ASN . . . . . 0.644 HD21 HG21 ' A' ' 7' ' ' THR . 8.2 p-10 -103.34 132.66 20.89 Favored Pre-proline 0 CA--C 1.538 0.495 0 N-CA-C 110.135 -0.32 . . . . 71.14 110.135 -178.135 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 46' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -56.02 -50.02 13.62 Favored 'Trans proline' 0 C--N 1.353 0.795 0 C-N-CA 123.587 2.858 . . . . 54.41 114.428 -168.809 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 47' ' ' GLU . . . . . 0.424 ' CD ' HD22 ' B' ' 45' ' ' ASN . 0.0 OUTLIER -60.72 -30.7 70.13 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 121.298 -0.161 . . . . 73.03 110.648 -175.41 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 48' ' ' GLN . . . . . 0.618 ' HB2' HD21 ' B' ' 45' ' ' ASN . 0.7 OUTLIER -63.92 -48.85 74.96 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 121.031 0.444 . . . . 65.22 109.867 175.833 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 49' ' ' LEU . . . . . 0.405 HD12 ' HA3' ' A' ' 53' ' ' GLY . 3.3 tm? -58.33 -50.85 72.18 Favored 'General case' 0 C--O 1.238 0.468 0 CA-C-N 115.317 -0.856 . . . . 73.15 110.095 -178.359 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 25.8 t80 -62.84 -43.14 99.6 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.002 -0.545 . . . . 74.53 110.911 178.242 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.23 -53.03 61.14 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-O 120.876 0.369 . . . . 63.22 111.231 178.146 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 52' ' ' ALA . . . . . 0.609 ' HB1' ' HB1' ' A' ' 19' ' ' ALA . . . -59.95 -45.55 92.28 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 115.871 -0.604 . . . . 74.31 110.54 -179.317 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 53' ' ' GLY . . . . . 0.601 ' HA3' HD12 ' A' ' 49' ' ' LEU . . . -65.21 -36.45 92.86 Favored Glycine 0 N--CA 1.451 -0.366 0 CA-C-N 115.7 -0.682 . . . . 73.22 112.702 179.326 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 4.9 t80 -69.93 -45.08 68.27 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 122.41 0.284 . . . . 73.14 110.36 -177.398 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 55' ' ' SER . . . . . 0.41 ' HB3' ' HB2' ' B' ' 81' ' ' ALA . 15.1 p -64.5 -47.93 77.06 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.174 -0.466 . . . . 71.55 110.161 178.518 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 56' ' ' ALA . . . . . 0.519 ' HB1' HD21 ' A' ' 30' ' ' LEU . . . -61.64 -35.08 76.89 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-O 121.283 0.563 . . . . 72.32 110.641 176.385 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 57' ' ' CYS . . . . . . . . . . . . . 41.9 t -68.62 -36.44 78.64 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 109.467 -0.568 . . . . 72.4 109.467 176.825 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -70.21 -30.45 67.55 Favored 'General case' 0 N--CA 1.454 -0.275 0 CA-C-N 116.062 -0.517 . . . . 52.32 109.777 -178.729 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 59' ' ' LEU . . . . . 0.462 ' O ' ' HG3' ' B' ' 63' ' ' LYS . 92.8 mt -64.6 -41.52 96.17 Favored 'General case' 0 C--N 1.333 -0.11 0 CA-C-O 121.111 0.481 . . . . 64.41 109.775 173.54 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 60' ' ' SER . . . . . 0.447 ' HA ' ' HZ3' ' B' ' 63' ' ' LYS . 22.1 m -66.12 -44.59 83.83 Favored 'General case' 0 C--O 1.238 0.464 0 CA-C-N 115.867 -0.606 . . . . 73.23 110.401 177.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 61' ' ' ALA . . . . . 0.42 ' O ' HG23 ' B' ' 65' ' ' VAL . . . -63.16 -37.14 86.04 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.988 -0.551 . . . . 44.1 109.864 176.504 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 62' ' ' MET . . . . . . . . . . . . . 4.7 tpt -62.96 -38.32 90.6 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 115.51 -0.768 . . . . 71.0 109.842 177.838 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 63' ' ' LYS . . . . . 0.462 ' HG3' ' O ' ' B' ' 59' ' ' LEU . 29.6 mtmm -63.02 -48.56 78.26 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 116.007 -0.542 . . . . 72.03 109.92 175.739 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 34.9 t80 -55.63 -48.93 74.13 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 116.205 -0.452 . . . . 73.11 110.753 177.439 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 65' ' ' VAL . . . . . 0.42 HG23 ' O ' ' B' ' 61' ' ' ALA . 55.0 t -55.43 -47.16 78.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.989 -0.551 . . . . 75.05 110.685 179.14 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -56.98 -32.24 65.88 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.096 0.474 . . . . 74.13 110.543 177.754 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -69.54 -31.42 70.93 Favored Glycine 0 C--N 1.33 0.22 0 CA-C-N 115.411 -0.813 . . . . 75.04 112.43 -177.106 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -94.35 -19.74 20.38 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.452 0.644 . . . . 64.5 109.487 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 20.2 m-80 -91.81 -0.08 57.51 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 114.998 -1.001 . . . . 65.21 110.664 177.54 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 3.2 mptp? 56.23 23.9 7.59 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 115.671 -0.695 . . . . 73.12 111.401 174.288 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -110.88 160.58 16.65 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.521 -0.763 . . . . 74.24 109.785 179.071 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 8.5 p -118.45 132.87 56.23 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 116.064 -0.516 . . . . 74.12 110.202 -179.5 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 73' ' ' LEU . . . . . 0.435 ' HA ' ' HD3' ' B' ' 74' ' ' PRO . 0.3 OUTLIER -109.25 140.87 22.42 Favored Pre-proline 0 CA--C 1.534 0.333 0 CA-C-N 116.172 -0.467 . . . . 75.15 110.848 -177.575 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 74' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' B' ' 73' ' ' LEU . 31.2 Cg_exo -61.53 136.75 65.08 Favored 'Trans proline' 0 C--N 1.35 0.628 0 C-N-CA 122.974 2.449 . . . . 62.01 111.959 177.843 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -77.02 -15.94 59.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.921 0.391 . . . . 71.53 111.179 -179.025 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -80.73 6.66 12.22 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-O 121.364 0.602 . . . . 60.22 110.775 -178.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 77' ' ' THR . . . . . 0.408 HG22 ' O ' ' B' ' 74' ' ' PRO . 12.6 t -75.97 166.27 23.74 Favored 'General case' 0 C--O 1.238 0.453 0 CA-C-N 115.939 -0.573 . . . . 73.25 110.719 178.435 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 12.9 t -158.46 158.12 33.51 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-O 121.454 0.645 . . . . 71.23 111.778 179.694 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 79' ' ' VAL . . . . . 0.403 HG23 HD21 ' B' ' 59' ' ' LEU . 69.9 t -132.81 117.21 29.25 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-N 114.791 -1.095 . . . . 54.24 109.098 175.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 80' ' ' THR . . . . . 0.538 ' HA ' ' HA ' ' A' ' 10' ' ' THR . 12.9 m -98.06 108.46 21.18 Favored 'General case' 0 C--N 1.314 -0.948 0 CA-C-N 116.077 -0.51 . . . . 72.42 110.068 -178.662 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 81' ' ' ALA . . . . . 0.41 ' HB2' ' HB3' ' B' ' 55' ' ' SER . . . -93.08 104.61 16.8 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.525 -0.546 . . . . 73.43 109.525 178.609 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 82' ' ' GLU . . . . . 0.534 ' HB3' ' HB3' ' B' ' 98' ' ' GLU . 42.1 tt0 -107.71 107.89 18.87 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.271 -0.877 . . . . 71.23 109.281 -178.021 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 17.6 m -106.52 145.92 13.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 120.928 0.394 . . . . 71.44 110.904 -175.774 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 84' ' ' GLY . . . . . 0.421 ' HA2' ' HA ' ' A' ' 6' ' ' LYS . . . -135.87 159.61 24.31 Favored Glycine 0 N--CA 1.445 -0.763 0 CA-C-N 115.725 -0.671 . . . . 52.45 111.616 178.637 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 85' ' ' ILE . . . . . 0.493 HD11 ' CD2' ' B' ' 93' ' ' PHE . 0.0 OUTLIER -136.37 132.86 49.43 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 N-CA-C 109.231 -0.655 . . . . 73.1 109.231 -179.729 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 86' ' ' GLY . . . . . 0.406 ' HA2' ' HG ' ' A' ' 4' ' ' LEU . . . -145.84 169.94 27.18 Favored Glycine 0 N--CA 1.451 -0.354 0 CA-C-N 115.043 -0.98 . . . . 52.3 110.738 178.793 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 87' ' ' PRO . . . . . 0.662 ' HD3' ' HG ' ' A' ' 4' ' ' LEU . 95.0 Cg_endo -82.49 151.95 15.37 Favored 'Trans proline' 0 N--CA 1.458 -0.591 0 C-N-CA 122.479 2.119 . . . . 61.3 112.385 -177.155 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 88' ' ' ASN . . . . . . . . . . . . . 24.0 t-20 -107.29 151.8 24.98 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 108.927 -0.768 . . . . 72.3 108.927 174.814 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -58.2 -25.56 61.74 Favored 'General case' 0 C--N 1.33 -0.27 0 O-C-N 123.135 0.272 . . . . 65.22 111.177 -178.104 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -67.42 -26.67 66.54 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 121.178 0.513 . . . . 74.05 110.875 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.09 35.04 3.52 Favored Glycine 0 N--CA 1.453 -0.197 0 CA-C-N 115.934 -0.575 . . . . 72.2 111.722 -176.71 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . -133.85 -174.75 13.63 Favored Glycine 0 N--CA 1.45 -0.379 0 N-CA-C 110.866 -0.894 . . . . 70.13 110.866 178.166 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 93' ' ' PHE . . . . . 0.493 ' CD2' HD11 ' B' ' 85' ' ' ILE . 47.4 m-85 -98.01 149.8 22.07 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.98 0.419 . . . . 73.12 110.468 179.629 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -136.2 134.64 38.38 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.739 -0.664 . . . . 62.21 109.482 -179.37 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -102.02 137.14 40.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.148 0.499 . . . . 74.21 111.268 -174.732 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 96' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -120.69 110.42 16.38 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 114.948 -1.024 . . . . 73.53 108.825 178.212 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 97' ' ' VAL . . . . . 0.434 ' HB ' HG22 ' B' ' 134' ' ' VAL . 51.9 t -105.27 129.69 57.67 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.777 0 CA-C-O 120.863 0.363 . . . . 65.34 110.732 -176.035 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 98' ' ' GLU . . . . . 0.534 ' HB3' ' HB3' ' B' ' 82' ' ' GLU . 1.7 tp10 -119.76 104.74 10.49 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.772 -0.649 . . . . 74.42 109.41 179.62 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 83.4 mt -99.36 106.71 18.82 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 110.34 -0.244 . . . . 61.12 110.34 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 100' ' ' ARG . . . . . 0.568 ' HA ' ' O ' ' B' ' 137' ' ' VAL . 52.6 mtt180 -98.92 115.42 28.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.104 -0.498 . . . . 64.11 110.253 -177.459 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 101' ' ' VAL . . . . . 0.43 HG11 HG22 ' B' ' 115' ' ' VAL . 78.9 t -98.87 113.44 33.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.942 -0.572 . . . . 60.12 110.949 -176.686 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -110.91 101.67 10.23 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.991 -0.374 . . . . 53.32 109.991 176.344 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 103' ' ' LEU . . . . . 0.777 HD23 HD22 ' B' ' 106' ' ' LEU . 34.2 tp -113.53 116.12 46.27 Favored Pre-proline 0 C--N 1.331 -0.214 0 N-CA-C 109.127 -0.694 . . . . 72.24 109.127 178.371 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 104' ' ' PRO . . . . . 0.562 ' HD2' HD12 ' B' ' 103' ' ' LEU . 41.9 Cg_endo -68.9 147.03 67.51 Favored 'Trans proline' 0 N--CA 1.46 -0.449 0 C-N-CA 122.568 2.179 . . . . 74.24 112.195 -175.486 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 105' ' ' GLY . . . . . . . . . . . . . . . 74.42 15.05 80.48 Favored Glycine 0 N--CA 1.45 -0.404 0 CA-C-N 115.646 -0.706 . . . . 72.34 112.07 -177.674 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 106' ' ' LEU . . . . . 0.777 HD22 HD23 ' B' ' 103' ' ' LEU . 39.7 tp -129.72 143.91 51.04 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 122.708 0.403 . . . . 60.53 110.673 -177.436 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -82.55 164.85 20.59 Favored 'General case' 0 CA--C 1.513 -0.448 0 CA-C-N 116.223 -0.444 . . . . 63.12 110.505 177.606 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 108' ' ' ALA . . . . . 0.574 ' O ' ' HG2' ' B' ' 112' ' ' LYS . . . -68.63 -45.51 71.67 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.632 -0.713 . . . . 34.32 109.87 168.802 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -58.26 -47.68 82.81 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 115.713 -0.676 . . . . 64.51 110.812 -177.241 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -70.59 -42.91 70.41 Favored 'General case' 0 C--O 1.237 0.432 0 CA-C-N 116.057 -0.519 . . . . 72.03 109.948 177.419 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -55.12 -33.1 62.58 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 115.655 -0.702 . . . . 64.14 111.623 177.855 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 112' ' ' LYS . . . . . 0.574 ' HG2' ' O ' ' B' ' 108' ' ' ALA . 73.9 mmtt -51.04 -48.04 61.59 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 120.782 0.325 . . . . 74.45 110.74 178.265 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 113' ' ' THR . . . . . . . . . . . . . 1.6 t -82.08 -39.72 23.01 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 116.314 -0.403 . . . . 72.03 110.992 -177.437 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 45.6 mt -63.74 -48.47 76.89 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.443 -0.344 . . . . 70.23 110.79 -177.256 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 115' ' ' VAL . . . . . 0.525 HG13 ' CD2' ' B' ' 119' ' ' HIS . 54.6 t -61.38 -40.65 86.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.181 -0.463 . . . . 63.55 110.328 177.516 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 116' ' ' ASP . . . . . 0.555 ' O ' ' HB2' ' B' ' 120' ' ' HIS . 10.8 t70 -55.47 -61.24 2.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.526 -0.761 . . . . 75.43 110.136 -179.309 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 117' ' ' ARG . . . . . . . . . . . . . 9.6 ptm85 -66.32 -41.95 88.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.724 -0.671 . . . . 70.2 111.445 -176.273 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -73.02 -21.18 60.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.176 -0.465 . . . . 61.11 112.012 -175.423 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 119' ' ' HIS . . . . . 0.525 ' CD2' HG13 ' B' ' 115' ' ' VAL . 3.7 m-70 -116.46 13.84 15.5 Favored 'General case' 0 N--CA 1.463 0.206 0 O-C-N 122.009 -0.432 . . . . 74.31 111.456 178.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 120' ' ' HIS . . . . . 0.555 ' HB2' ' O ' ' B' ' 116' ' ' ASP . 0.8 OUTLIER -83.75 -18.08 39.02 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 120.886 0.374 . . . . 61.52 110.205 -179.938 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 30.1 m -113.0 45.68 0.29 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.38 0 CA-C-N 115.74 -0.663 . . . . 63.42 111.283 -175.351 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 122' ' ' CYS . . . . . 0.6 ' SG ' ' NE ' ' B' ' 129' ' ' ARG . 25.6 p -68.9 128.54 92.78 Favored Pre-proline 0 CA--C 1.536 0.409 0 CA-C-N 116.273 -0.421 . . . . 74.53 111.152 -177.839 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 123' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -71.11 -29.45 17.62 Favored 'Trans proline' 0 C--N 1.352 0.739 0 C-N-CA 122.527 2.152 . . . . 65.25 112.146 178.548 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 124' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -77.9 75.7 4.44 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.303 -0.408 . . . . 65.35 110.291 178.103 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 125' ' ' SER . . . . . 0.679 ' HB2' ' HB ' ' B' ' 128' ' ' THR . 45.0 m 60.41 109.38 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.323 0 O-C-N 123.966 0.791 . . . . 64.23 112.323 175.445 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 126' ' ' ASN . . . . . 0.42 ' O ' ' HG2' ' B' ' 129' ' ' ARG . 32.1 p-10 -58.61 -31.71 68.32 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 122.274 1.035 . . . . 74.24 108.394 170.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 127' ' ' ALA . . . . . 0.659 ' O ' ' HB3' ' B' ' 131' ' ' ASN . . . -76.97 6.6 6.0 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 114.071 -1.422 . . . . 65.3 112.573 -179.671 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 128' ' ' THR . . . . . 0.679 ' HB ' ' HB2' ' B' ' 125' ' ' SER . 3.3 t -87.32 -8.02 57.15 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 108.275 -1.009 . . . . 55.14 108.275 -176.269 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 129' ' ' ARG . . . . . 0.6 ' NE ' ' SG ' ' B' ' 122' ' ' CYS . 10.2 ptp180 -126.69 -35.36 2.33 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 114.421 -1.263 . . . . 75.21 110.413 -176.809 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 130' ' ' ASN . . . . . . . . . . . . . 54.7 m-80 -78.43 -51.87 9.4 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.877 -0.601 . . . . 74.14 111.009 173.4 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 131' ' ' ASN . . . . . 0.659 ' HB3' ' O ' ' B' ' 127' ' ' ALA . 66.1 t30 -77.36 -43.74 31.81 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 121.227 0.537 . . . . 75.43 109.98 -178.873 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 132' ' ' VAL . . . . . 0.428 ' HB ' ' O ' ' B' ' 128' ' ' THR . 17.4 t -99.82 145.32 10.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.379 -0.828 . . . . 52.13 109.475 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 133' ' ' ALA . . . . . . . . . . . . . . . -76.07 101.28 5.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.274 0.559 . . . . 72.23 112.247 -174.015 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 134' ' ' VAL . . . . . 0.434 HG22 ' HB ' ' B' ' 97' ' ' VAL . 96.1 t -120.19 140.44 44.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.496 -0.774 . . . . 61.1 110.019 172.465 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 82.9 mtt-85 -115.64 110.26 18.93 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.724 -0.671 . . . . 74.32 109.488 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 21.1 mt -82.59 100.7 10.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.54 0.686 . . . . 72.41 109.846 176.486 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 137' ' ' VAL . . . . . 0.568 ' O ' ' HA ' ' B' ' 100' ' ' ARG . 0.2 OUTLIER -112.4 116.11 51.69 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 114.819 -1.082 . . . . 72.22 109.819 -176.242 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 138' ' ' VAL . . . . . 0.41 HG12 HG21 ' B' ' 115' ' ' VAL . 2.8 m -90.67 138.44 19.52 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 CA-C-N 115.679 -0.691 . . . . 70.52 109.959 -178.906 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 139' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.226 0 CA-C-O 118.505 -0.759 . . . . 71.35 110.695 -176.314 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.5 ptt? . . . . . 0 N--CA 1.485 1.284 0 CA-C-O 120.732 0.301 . . . . 71.43 110.858 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 33.3 t30 -73.46 74.63 1.42 Allowed 'General case' 0 CA--C 1.533 0.312 0 CA-C-O 121.244 0.545 . . . . 75.52 110.936 177.366 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.527 HG21 ' HB2' ' A' ' 6' ' ' LYS . 30.5 mm -72.48 125.0 30.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.957 -0.565 . . . . 51.02 111.511 174.615 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.739 ' HG ' ' HD3' ' B' ' 87' ' ' PRO . 89.4 mt -82.21 -45.07 15.56 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.347 -0.842 . . . . 74.21 110.134 176.309 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 39.3 t80 -137.34 127.11 25.49 Favored 'General case' 0 C--O 1.222 -0.364 0 CA-C-N 116.02 -0.536 . . . . 54.43 110.437 -178.084 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.527 ' HB2' HG21 ' A' ' 3' ' ' ILE . 31.9 ttmt -136.71 128.38 28.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.906 0.384 . . . . 62.42 110.121 175.16 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 15.2 t -133.3 154.15 50.95 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.808 -0.633 . . . . 73.02 109.662 -178.749 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.423 ' HA ' ' HA ' ' B' ' 82' ' ' GLU . . . -114.28 140.5 48.55 Favored 'General case' 0 C--O 1.237 0.431 0 CA-C-O 121.318 0.58 . . . . 64.34 112.542 -171.126 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -124.99 135.32 52.68 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.156 -0.929 . . . . 65.14 109.148 173.089 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.403 HG22 ' HB2' ' A' ' 22' ' ' HIS . 14.5 t -123.26 128.98 50.74 Favored 'General case' 0 N--CA 1.445 -0.687 0 N-CA-C 108.648 -0.871 . . . . 73.43 108.648 -178.436 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 71.0 m -125.34 114.61 19.12 Favored 'General case' 0 C--N 1.314 -0.943 0 CA-C-N 115.623 -0.717 . . . . 71.32 110.757 -175.189 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.1 m -101.37 157.79 16.54 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 115.586 -0.733 . . . . 72.12 110.831 -176.749 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -81.19 69.57 3.24 Favored Glycine 0 N--CA 1.451 -0.345 0 N-CA-C 111.247 -0.741 . . . . 62.44 111.247 174.691 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -57.71 -98.9 0.01 OUTLIER Glycine 0 C--N 1.336 0.57 0 C-N-CA 121.722 -0.275 . . . . 62.02 113.171 -176.473 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 17.0 mtp180 -88.71 -53.4 4.64 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.052 -0.722 . . . . 73.04 109.052 174.493 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -125.78 -42.48 1.91 Allowed 'General case' 0 C--O 1.235 0.292 0 N-CA-C 109.208 -0.664 . . . . 74.22 109.208 168.237 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.499 ' O ' ' HG3' ' A' ' 29' ' ' LYS . . . -156.56 151.98 23.38 Favored Glycine 0 C--N 1.336 0.568 0 N-CA-C 110.792 -0.923 . . . . 73.12 110.792 167.016 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.518 ' HA ' ' HA ' ' A' ' 29' ' ' LYS . 3.5 tmt_? -142.91 113.44 7.39 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 117.268 0.534 . . . . 73.24 109.668 -178.784 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -110.12 123.98 50.7 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.188 -0.46 . . . . 71.12 110.653 -175.157 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.503 HG23 ' O ' ' A' ' 26' ' ' LEU . 88.6 m -136.39 121.26 18.67 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.188 -0.46 . . . . 63.53 110.937 -175.662 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.675 ' HB3' ' N ' ' A' ' 26' ' ' LEU . 2.9 t -68.75 106.84 2.8 Favored 'General case' 0 C--O 1.248 1.008 0 N-CA-C 106.183 -1.784 . . . . 62.3 106.183 170.547 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.419 ' C ' ' H ' ' A' ' 24' ' ' GLN . 75.5 t60 -66.31 -14.63 62.32 Favored 'General case' 0 C--N 1.346 0.441 0 O-C-N 125.713 1.883 . . . . 71.44 110.505 -170.788 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.508 ' HB3' ' HE2' ' A' ' 25' ' ' LYS . 36.6 t0 -80.46 14.28 2.09 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.212 -0.904 . . . . 73.43 108.851 175.29 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.419 ' H ' ' C ' ' A' ' 22' ' ' HIS . 31.2 mm-40 69.69 30.08 3.99 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-N 114.518 -1.219 . . . . 72.53 111.213 173.006 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.508 ' HE2' ' HB3' ' A' ' 23' ' ' ASP . 51.0 mtmt -111.46 -9.58 14.21 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.939 -0.573 . . . . 73.44 111.986 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.675 ' N ' ' HB3' ' A' ' 21' ' ' SER . 41.0 tp -152.51 145.77 24.71 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 119.726 -0.79 . . . . 74.42 110.681 174.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -158.67 95.66 1.33 Allowed 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 121.012 0.434 . . . . 74.13 110.349 175.611 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 4.4 m -139.91 177.85 4.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 121.535 0.683 . . . . 62.12 111.359 178.85 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.518 ' HA ' ' HA ' ' A' ' 18' ' ' ARG . 16.7 ttpp -137.01 139.14 41.2 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.068 -0.969 . . . . 62.42 110.277 -177.919 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.613 ' HA ' ' H ' ' A' ' 44' ' ' THR . 0.0 OUTLIER -127.25 170.99 11.85 Favored 'General case' 0 C--O 1.249 1.036 0 CA-C-N 116.038 -0.528 . . . . 64.12 110.189 179.317 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 12.6 p -159.34 147.57 17.7 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.799 -0.637 . . . . 75.34 111.285 -178.189 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.422 ' HA ' ' HD2' ' A' ' 33' ' ' PRO . . . -66.77 113.14 11.75 Favored Pre-proline 0 C--O 1.238 0.472 0 CA-C-N 115.772 -0.649 . . . . 52.21 110.066 175.489 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.537 ' HG3' ' ND2' ' A' ' 45' ' ' ASN . 15.5 Cg_endo -55.32 113.39 1.39 Allowed 'Trans proline' 0 C--N 1.348 0.542 0 C-N-CA 122.614 2.209 . . . . 73.33 111.497 -177.031 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.687 ' HD2' ' HA2' ' A' ' 40' ' ' GLY . 50.5 ttt180 -66.88 -6.84 18.03 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 116.308 -0.405 . . . . 50.12 111.453 -176.487 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -50.93 -21.85 1.95 Allowed 'General case' 0 N--CA 1.465 0.281 0 C-N-CA 123.483 0.713 . . . . 75.14 112.716 179.309 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 60.3 mt -117.78 35.3 4.76 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.898 0.38 . . . . 63.44 110.12 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 66.51 43.91 91.29 Favored Glycine 0 C--N 1.333 0.395 0 N-CA-C 110.955 -0.858 . . . . 72.22 110.955 -175.891 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.481 ' H ' ' HA ' ' A' ' 34' ' ' ARG . . . -81.24 -110.55 0.34 Allowed Glycine 0 C--N 1.33 0.225 0 CA-C-N 115.115 -0.543 . . . . 73.44 113.068 -171.86 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -123.9 -57.54 1.61 Allowed 'General case' 0 C--O 1.234 0.247 0 CA-C-N 116.905 0.353 . . . . 63.22 111.289 -174.515 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.687 ' HA2' ' HD2' ' A' ' 34' ' ' ARG . . . -173.94 -80.07 0.05 OUTLIER Glycine 0 N--CA 1.447 -0.57 0 C-N-CA 119.411 -1.376 . . . . 45.53 114.29 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -72.64 -178.4 2.63 Favored 'General case' 0 C--O 1.235 0.33 0 N-CA-C 112.967 0.729 . . . . 44.21 112.967 -169.88 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -95.59 -53.51 3.7 Favored 'General case' 0 CA--C 1.498 -1.03 0 CA-C-O 123.021 1.391 . . . . 71.23 109.973 179.001 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.414 ' O ' ' HD2' ' B' ' 25' ' ' LYS . . . 40.56 -127.11 2.98 Favored Glycine 0 C--N 1.291 -1.955 0 CA-C-N 110.854 -2.885 . . . . 55.55 111.972 -177.387 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.613 ' H ' ' HA ' ' A' ' 30' ' ' LEU . 32.8 p -129.01 156.82 43.2 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 108.707 -0.849 . . . . 74.01 108.707 170.294 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.537 ' ND2' ' HG3' ' A' ' 33' ' ' PRO . 1.1 m-20 -92.12 129.21 42.35 Favored Pre-proline 0 C--N 1.323 -0.572 0 N-CA-C 109.196 -0.668 . . . . 72.33 109.196 -179.363 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_endo -53.1 -35.62 73.4 Favored 'Trans proline' 0 CA--C 1.534 0.492 0 C-N-CA 122.578 2.185 . . . . 63.04 112.111 178.508 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.48 ' HG2' HD11 ' A' ' 95' ' ' LEU . 23.5 mp0 -71.51 -37.45 71.21 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-O 121.792 0.805 . . . . 62.13 109.092 179.611 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.514 ' HB3' ' HB2' ' A' ' 45' ' ' ASN . 29.9 tt0 -66.89 -39.8 87.56 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 114.34 -1.3 . . . . 72.35 110.572 178.595 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.483 HD12 ' HA3' ' B' ' 53' ' ' GLY . 3.3 tm? -66.98 -47.49 71.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.695 -0.684 . . . . 71.11 109.397 179.083 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 46.3 t80 -59.44 -43.03 93.21 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.774 -0.648 . . . . 64.45 110.571 176.712 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.56 ' HB2' HG11 ' A' ' 83' ' ' VAL . . . -57.43 -53.31 59.54 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 116.174 -0.466 . . . . 52.03 111.434 177.151 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.457 ' HB1' ' HB1' ' B' ' 19' ' ' ALA . . . -59.7 -44.77 93.53 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 115.903 -0.589 . . . . 51.43 110.318 -179.615 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.493 ' O ' ' SG ' ' A' ' 57' ' ' CYS . . . -60.33 -52.12 54.58 Favored Glycine 0 C--O 1.223 -0.566 0 CA-C-N 115.533 -0.758 . . . . 45.35 112.114 178.853 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -57.11 -51.28 69.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.86 0.362 . . . . 71.4 110.449 -178.103 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.557 ' HB3' ' HB2' ' A' ' 81' ' ' ALA . 51.9 p -60.48 -52.15 66.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.457 . . . . 50.31 110.826 -177.227 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.53 ' HB1' HD21 ' B' ' 30' ' ' LEU . . . -61.47 -41.22 96.91 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-O 121.002 0.429 . . . . 72.41 110.997 179.848 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.565 ' SG ' ' HB3' ' B' ' 46' ' ' PRO . 96.2 m -63.34 -35.99 82.21 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.933 -0.576 . . . . 74.4 110.643 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 38.5 t80 -55.01 -31.82 61.34 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 116.305 -0.407 . . . . 64.12 110.345 -177.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 9.1 mp -64.21 -51.63 62.79 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.157 -0.474 . . . . 74.12 109.931 176.082 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 10.8 m -60.41 -37.72 81.73 Favored 'General case' 0 C--O 1.238 0.474 0 CA-C-O 121.214 0.53 . . . . 74.4 110.53 178.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -61.26 -49.28 77.69 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 116.0 -0.545 . . . . 64.15 109.931 177.46 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 18.3 mtp -69.97 -20.43 63.31 Favored 'General case' 0 C--O 1.227 -0.128 0 CA-C-N 115.81 -0.632 . . . . 61.32 110.912 177.314 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 25.5 tptp -67.39 -44.84 77.89 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.159 -0.682 . . . . 62.32 109.159 174.888 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 33.5 t80 -63.89 -45.43 89.41 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 115.854 -0.612 . . . . 70.35 110.226 175.269 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 71.1 t -57.55 -51.37 70.79 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.17 0 CA-C-N 116.16 -0.473 . . . . 51.41 110.661 178.092 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -60.84 -29.3 69.42 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.852 -0.613 . . . . 55.45 110.172 179.236 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -71.52 -30.67 66.34 Favored Glycine 0 N--CA 1.45 -0.429 0 CA-C-N 115.547 -0.752 . . . . 65.01 112.2 -178.68 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -92.93 -22.47 19.2 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-O 121.245 0.545 . . . . 73.33 109.548 -178.821 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.419 ' HB3' ' HG2' ' A' ' 71' ' ' GLN . 16.6 m-80 -86.88 -1.85 58.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.04 -0.982 . . . . 73.35 110.701 176.849 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 9.6 mptt 60.93 26.47 16.39 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 115.919 -0.582 . . . . 70.5 111.18 177.091 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.419 ' HG2' ' HB3' ' A' ' 69' ' ' ASN . 1.5 pt20 -113.44 168.09 10.04 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.086 0.469 . . . . 65.11 110.834 -178.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 33.1 p -120.94 145.65 47.48 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.661 -0.7 . . . . 71.13 109.955 178.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.412 ' HA ' ' HD3' ' A' ' 74' ' ' PRO . 96.5 mt -109.28 145.78 32.55 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.47 -0.332 . . . . 63.13 110.526 -179.587 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.479 ' HG2' HD11 ' A' ' 103' ' ' LEU . 37.9 Cg_exo -63.07 113.79 2.18 Favored 'Trans proline' 0 C--N 1.348 0.504 0 C-N-CA 122.708 2.272 . . . . 75.32 111.659 174.802 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -74.77 2.02 11.08 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.879 0.371 . . . . 74.43 111.832 -177.486 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.505 ' HB3' ' HG3' ' A' ' 104' ' ' PRO . 38.8 t70 -93.09 5.27 52.09 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.339 0.59 . . . . 72.44 110.752 -178.657 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.595 ' HB ' HD22 ' A' ' 103' ' ' LEU . 5.5 t -77.29 163.35 26.56 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-N 115.824 -0.625 . . . . 73.42 111.339 -179.351 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 9.2 m -148.24 149.03 31.18 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.008 -0.738 . . . . 65.01 109.008 177.555 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 93.1 t -127.05 129.85 71.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 N-CA-C 109.709 -0.478 . . . . 73.54 109.709 176.258 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.404 ' HB ' ' HB3' ' A' ' 100' ' ' ARG . 6.7 m -108.54 111.79 23.83 Favored 'General case' 0 C--N 1.318 -0.779 0 C-N-CA 120.863 -0.335 . . . . 61.0 110.434 176.439 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.557 ' HB2' ' HB3' ' A' ' 55' ' ' SER . . . -93.22 104.31 16.5 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.552 -0.536 . . . . 75.0 109.552 176.744 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.491 ' HG2' ' HD3' ' B' ' 6' ' ' LYS . 36.5 tt0 -109.0 107.58 17.99 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.347 -0.612 . . . . 74.0 109.347 -178.447 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.56 HG11 ' HB2' ' A' ' 51' ' ' ALA . 31.1 m -108.68 144.64 16.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-O 120.929 0.395 . . . . 74.25 111.111 -174.093 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.42 ' HA2' ' HA ' ' B' ' 6' ' ' LYS . . . -137.77 163.67 25.53 Favored Glycine 0 N--CA 1.442 -0.929 0 CA-C-N 115.647 -0.706 . . . . 64.22 111.853 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -135.31 130.15 50.67 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.847 0 N-CA-C 108.869 -0.789 . . . . 71.32 108.869 178.217 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -150.41 169.78 30.34 Favored Glycine 0 N--CA 1.451 -0.307 0 CA-C-N 115.161 -0.927 . . . . 64.2 111.12 178.127 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.443 ' HD3' ' HG ' ' B' ' 4' ' ' LEU . 57.3 Cg_endo -71.47 134.72 25.01 Favored 'Trans proline' 0 C--O 1.235 0.371 0 C-N-CA 122.334 2.022 . . . . 75.13 112.116 -179.343 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' ASN . . . . . 0.493 ' HB2' ' HB2' ' A' ' 94' ' ' ALA . 5.4 t-20 -91.92 150.21 21.15 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.574 -0.739 . . . . 63.43 110.456 -177.676 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -57.58 -27.04 62.34 Favored 'General case' 0 CA--C 1.533 0.304 0 O-C-N 123.562 0.539 . . . . 74.31 111.567 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -69.53 -21.87 63.61 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 116.075 -0.511 . . . . 62.35 111.395 -179.553 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.27 35.32 3.41 Favored Glycine 0 CA--C 1.517 0.203 0 CA-C-N 116.276 -0.42 . . . . 52.42 112.238 -179.485 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -141.65 -152.2 5.68 Favored Glycine 0 C--O 1.23 -0.121 0 N-CA-C 110.931 -0.868 . . . . 74.12 110.931 176.603 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 54.0 m-85 -103.84 155.57 18.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 117.115 0.457 . . . . 72.25 109.915 176.399 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.493 ' HB2' ' HB2' ' A' ' 88' ' ' ASN . . . -141.17 130.1 23.14 Favored 'General case' 0 C--O 1.239 0.513 0 CA-C-N 116.294 -0.412 . . . . 73.43 110.146 179.742 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.48 HD11 ' HG2' ' A' ' 47' ' ' GLU . 4.3 mm? -98.05 123.47 42.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.601 -0.727 . . . . 75.45 109.941 178.284 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -110.0 110.48 21.41 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.449 -0.796 . . . . 62.1 109.46 -179.456 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.507 HG22 HG12 ' A' ' 83' ' ' VAL . 60.6 t -106.8 110.48 31.85 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.807 0 CA-C-N 115.893 -0.594 . . . . 41.42 110.741 -176.052 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.472 ' HG2' ' HB3' ' A' ' 135' ' ' ARG . 43.6 mt-10 -98.78 110.03 22.7 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.891 0.377 . . . . 51.52 110.234 179.081 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 87.2 mt -95.59 108.41 20.67 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.074 -0.512 . . . . 73.33 110.109 179.118 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.553 ' HA ' ' O ' ' A' ' 137' ' ' VAL . 61.8 ttp180 -99.11 110.4 22.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.013 -0.54 . . . . 73.43 109.808 -179.407 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 46.9 t -103.38 98.59 7.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.482 -0.326 . . . . 72.23 110.369 -174.168 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -91.89 101.49 14.06 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.92 0.391 . . . . 73.1 110.169 -179.446 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.595 HD22 ' HB ' ' A' ' 77' ' ' THR . 0.3 OUTLIER -108.81 117.69 53.4 Favored Pre-proline 0 C--N 1.326 -0.442 0 N-CA-C 109.237 -0.653 . . . . 73.31 109.237 -177.743 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 104' ' ' PRO . . . . . 0.514 ' HD3' ' HA ' ' A' ' 77' ' ' THR . 61.1 Cg_endo -70.43 150.53 64.26 Favored 'Trans proline' 0 C--O 1.234 0.303 0 C-N-CA 122.85 2.367 . . . . 73.52 112.961 -177.857 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 64.31 15.43 58.93 Favored Glycine 0 CA--C 1.52 0.344 0 CA-C-N 115.536 -0.756 . . . . 54.45 113.282 178.109 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.589 HD23 ' HB3' ' A' ' 103' ' ' LEU . 27.0 tp -120.44 139.94 52.11 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.089 0.471 . . . . 65.03 110.854 -176.915 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -78.08 141.54 38.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.719 -0.673 . . . . 72.42 110.181 175.528 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -59.78 -40.65 88.98 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.395 -0.366 . . . . 74.35 110.953 178.84 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -57.0 -43.15 81.49 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 115.881 -0.6 . . . . 64.13 110.988 -179.332 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.514 ' O ' HG22 ' A' ' 113' ' ' THR . . . -77.81 -38.14 47.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.043 -0.526 . . . . 73.25 110.237 178.697 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -55.89 -34.6 65.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.703 -0.68 . . . . 54.13 110.62 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.446 ' O ' ' HB2' ' A' ' 116' ' ' ASP . 30.0 mmtp -54.11 -48.47 70.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.871 -0.604 . . . . 74.23 111.01 175.396 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 113' ' ' THR . . . . . 0.514 HG22 ' O ' ' A' ' 110' ' ' ALA . 1.2 t -74.89 -35.3 62.27 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.727 -0.215 . . . . 74.22 110.74 -177.011 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 57.8 mt -66.89 -49.5 65.4 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.899 0.381 . . . . 61.01 110.506 -178.838 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 73.0 t -64.57 -36.17 76.66 Favored 'Isoleucine or valine' 0 C--O 1.238 0.499 0 CA-C-N 116.056 -0.52 . . . . 72.22 110.213 178.454 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' ASP . . . . . 0.446 ' HB2' ' O ' ' A' ' 112' ' ' LYS . 8.9 t70 -59.18 -61.39 2.67 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 115.65 -0.705 . . . . 63.5 110.008 179.493 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 117' ' ' ARG . . . . . 0.479 ' HG2' ' O ' ' A' ' 113' ' ' THR . 14.6 ptm180 -61.59 -36.3 80.29 Favored 'General case' 0 CA--C 1.523 -0.062 0 CA-C-N 116.102 -0.499 . . . . 65.24 110.359 -177.747 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -57.96 -44.82 87.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.839 -0.619 . . . . 63.41 110.841 177.805 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 59.8 m80 -80.37 -0.13 35.6 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 116.492 -0.322 . . . . 74.13 111.654 -179.631 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 10.6 m170 -97.49 -44.53 6.8 Favored 'General case' 0 N--CA 1.464 0.256 0 N-CA-C 109.923 -0.399 . . . . 75.14 109.923 173.269 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 28.9 m -79.44 -30.49 13.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.051 -0.522 . . . . 74.54 111.077 -177.373 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 71.4 m -140.69 70.35 30.84 Favored Pre-proline 0 CA--C 1.533 0.319 0 N-CA-C 112.235 0.457 . . . . 72.12 112.235 -178.789 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_endo -89.79 147.61 4.87 Favored 'Trans proline' 0 N--CA 1.453 -0.877 0 C-N-CA 122.46 2.107 . . . . 74.45 109.675 164.706 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 124' ' ' TYR . . . . . 0.444 ' OH ' ' HA ' ' B' ' 47' ' ' GLU . 0.7 OUTLIER -59.04 -30.9 68.37 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-O 121.7 0.762 . . . . 65.44 109.375 -178.829 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 125' ' ' SER . . . . . 0.572 ' O ' HG22 ' A' ' 128' ' ' THR . 50.2 m -158.31 140.76 14.36 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 107.291 -1.374 . . . . 62.44 107.291 170.842 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 42.3 m-80 -58.62 -31.91 68.52 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 118.585 0.629 . . . . 73.42 110.433 -179.078 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 127' ' ' ALA . . . . . 0.635 ' O ' ' HB3' ' A' ' 131' ' ' ASN . . . -84.21 6.68 21.73 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.068 -0.515 . . . . 54.1 111.958 -179.317 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 128' ' ' THR . . . . . 0.572 HG22 ' O ' ' A' ' 125' ' ' SER . 1.7 t -93.82 -5.39 48.25 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.223 -0.658 . . . . 73.21 109.223 -172.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 3.1 ptm180 -117.94 -45.47 2.67 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.298 -0.865 . . . . 72.04 111.207 -176.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -78.46 -55.48 5.18 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-O 120.904 0.383 . . . . 71.52 110.608 175.663 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 131' ' ' ASN . . . . . 0.635 ' HB3' ' O ' ' A' ' 127' ' ' ALA . 64.5 t30 -67.41 -43.87 80.17 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 115.803 -0.635 . . . . 72.12 110.168 -177.165 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 35.1 t -96.28 135.45 30.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.795 -0.639 . . . . 70.22 109.464 178.719 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 133' ' ' ALA . . . . . 0.409 ' HB3' ' O ' ' A' ' 95' ' ' LEU . . . -73.6 101.31 3.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.307 0.575 . . . . 45.42 111.836 -173.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 134' ' ' VAL . . . . . 0.423 HG22 ' HB ' ' A' ' 97' ' ' VAL . 50.1 t -124.05 125.0 70.13 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.348 0 CA-C-N 115.416 -0.811 . . . . 75.02 110.22 175.881 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 135' ' ' ARG . . . . . 0.472 ' HB3' ' HG2' ' A' ' 98' ' ' GLU . 21.4 ttt180 -100.78 119.68 38.99 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.448 -0.797 . . . . 72.41 109.718 179.576 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 41.0 mt -91.23 119.69 31.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.156 0.503 . . . . 50.04 111.265 -178.692 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 137' ' ' VAL . . . . . 0.553 ' O ' ' HA ' ' A' ' 100' ' ' ARG . 0.2 OUTLIER -126.65 115.1 40.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 115.526 -0.761 . . . . 74.42 109.878 178.585 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 2.9 m -91.92 138.9 18.81 Favored 'Isoleucine or valine' 0 C--O 1.238 0.486 0 CA-C-O 121.091 0.472 . . . . 53.11 110.05 -179.253 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.319 -0.737 0 CA-C-N 115.69 -0.686 . . . . 73.13 110.759 -176.915 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.548 ' HE3' HD13 ' B' ' 3' ' ' ILE . 18.7 ptt? . . . . . 0 C--O 1.234 0.26 0 CA-C-O 120.669 0.271 . . . . 72.42 111.059 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 43.5 t30 -77.55 74.17 4.12 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-O 121.57 0.7 . . . . 61.35 110.698 179.022 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 3' ' ' ILE . . . . . 0.577 HG21 ' HB2' ' B' ' 6' ' ' LYS . 30.1 mm -64.42 128.33 26.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.312 -0.858 . . . . 72.42 111.009 175.291 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.443 ' HG ' ' HD3' ' A' ' 87' ' ' PRO . 94.1 mt -81.31 -43.48 19.06 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.82 -0.627 . . . . 75.25 110.253 177.706 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 5' ' ' TYR . . . . . . . . . . . . . 22.8 t80 -140.66 129.81 23.54 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 116.268 -0.424 . . . . 75.45 110.615 -179.681 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 6' ' ' LYS . . . . . 0.577 ' HB2' HG21 ' B' ' 3' ' ' ILE . 31.0 ttmt -138.04 135.94 36.36 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.89 0.376 . . . . 65.01 110.946 177.638 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 7' ' ' THR . . . . . 0.487 HG21 ' HB2' ' A' ' 48' ' ' GLN . 9.8 t -127.86 145.67 50.87 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-N 115.885 -0.598 . . . . 72.52 109.901 178.256 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 8' ' ' ALA . . . . . 0.446 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . . . -110.48 134.76 52.05 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 116.35 -0.386 . . . . 64.22 110.596 -179.637 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -125.84 128.7 48.05 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.982 -0.377 . . . . 31.45 109.982 177.013 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 5.7 t -100.98 125.81 47.61 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.175 0.512 . . . . 64.31 110.135 -178.294 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 15.3 p -116.74 113.32 22.42 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.747 -0.66 . . . . 74.14 109.778 177.235 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 3.1 m -102.52 161.58 13.61 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.797 -0.638 . . . . 53.42 111.192 -175.457 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -76.06 75.48 1.52 Allowed Glycine 0 N--CA 1.449 -0.494 0 N-CA-C 111.641 -0.584 . . . . 71.12 111.641 172.711 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -69.89 -128.6 0.06 OUTLIER Glycine 0 CA--C 1.523 0.547 0 C-N-CA 121.576 -0.345 . . . . 73.4 112.507 175.247 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 2.2 tpm_? -64.0 -55.03 25.31 Favored 'General case' 0 N--CA 1.465 0.291 0 N-CA-C 109.726 -0.472 . . . . 65.14 109.726 176.58 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 16' ' ' ASP . . . . . 0.538 ' HB3' ' HA ' ' B' ' 31' ' ' SER . 37.4 t70 -126.5 -42.32 1.82 Allowed 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 108.822 -0.807 . . . . 65.33 108.822 170.109 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -155.45 152.96 24.41 Favored Glycine 0 N--CA 1.448 -0.549 0 CA-C-N 115.496 -0.775 . . . . 74.22 111.636 169.818 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 18' ' ' ARG . . . . . 0.439 ' HD3' ' O ' ' B' ' 28' ' ' VAL . 3.6 tpp180 -122.57 145.64 48.16 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 108.757 -0.831 . . . . 74.4 108.757 176.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 19' ' ' ALA . . . . . 0.457 ' HB1' ' HB1' ' A' ' 52' ' ' ALA . . . -134.15 123.34 24.22 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.46 -0.57 . . . . 64.21 109.46 172.416 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 38.1 m -140.61 112.15 7.41 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.928 -0.578 . . . . 75.11 110.149 -177.487 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 21' ' ' SER . . . . . 0.497 ' CB ' ' HB3' ' B' ' 26' ' ' LEU . 20.7 t -74.74 115.45 14.34 Favored 'General case' 0 C--O 1.249 1.027 0 N-CA-C 107.531 -1.285 . . . . 74.21 107.531 176.71 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 22' ' ' HIS . . . . . . . . . . . . . 74.0 t60 -68.19 -12.95 61.82 Favored 'General case' 0 C--N 1.343 0.305 0 O-C-N 125.929 2.018 . . . . 73.12 112.182 -164.548 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 23' ' ' ASP . . . . . 0.468 ' OD1' ' HE2' ' B' ' 25' ' ' LYS . 23.4 p30 -80.51 11.8 3.48 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 121.683 0.754 . . . . 63.54 109.325 172.758 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 32.2 mm-40 72.0 22.54 3.73 Favored 'General case' 0 CA--C 1.51 -0.558 0 CA-C-N 113.941 -1.481 . . . . 71.43 111.25 170.876 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 25' ' ' LYS . . . . . 0.468 ' HE2' ' OD1' ' B' ' 23' ' ' ASP . 48.7 mtmt -99.23 -13.63 19.63 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-N 115.81 -0.632 . . . . 41.25 111.625 177.79 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 26' ' ' LEU . . . . . 0.497 ' HB3' ' CB ' ' B' ' 21' ' ' SER . 62.6 tp -140.66 138.02 34.01 Favored 'General case' 0 C--N 1.347 0.476 0 C-N-CA 119.237 -0.985 . . . . 71.52 110.899 176.221 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -158.49 94.08 1.24 Allowed 'General case' 0 N--CA 1.463 0.202 0 O-C-N 123.508 0.505 . . . . 53.33 110.484 175.583 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 28' ' ' VAL . . . . . 0.439 ' O ' ' HD3' ' B' ' 18' ' ' ARG . 4.0 m -146.71 177.89 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.728 -0.669 . . . . 74.12 110.483 178.118 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.467 ' HE2' ' HB3' ' B' ' 29' ' ' LYS . 0.6 OUTLIER -131.74 144.19 50.79 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.868 -0.606 . . . . 64.31 110.193 -177.974 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 30' ' ' LEU . . . . . 0.62 ' HA ' ' H ' ' B' ' 44' ' ' THR . 0.0 OUTLIER -125.06 167.04 15.31 Favored 'General case' 0 C--O 1.249 1.027 0 CA-C-N 116.329 -0.396 . . . . 72.32 110.227 178.463 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 31' ' ' SER . . . . . 0.538 ' HA ' ' HB3' ' B' ' 16' ' ' ASP . 50.6 m -160.58 133.58 6.54 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 115.892 -0.595 . . . . 62.35 111.431 -173.351 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -73.63 116.52 52.47 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 115.784 -0.644 . . . . 75.13 109.454 172.269 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 33' ' ' PRO . . . . . 0.642 ' HB2' ' HG2' ' B' ' 35' ' ' GLU . 25.3 Cg_endo -61.46 153.95 62.64 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.251 1.967 . . . . 71.3 112.042 -177.695 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 4.8 mmt180 -70.56 -11.16 60.75 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.075 -0.511 . . . . 71.43 110.616 -179.653 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 35' ' ' GLU . . . . . 0.642 ' HG2' ' HB2' ' B' ' 33' ' ' PRO . 6.2 mm-40 -48.83 -46.01 41.43 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 121.541 0.686 . . . . 72.42 110.647 177.513 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 27.0 mt -103.94 17.61 23.75 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.213 -0.903 . . . . 63.52 110.728 -175.089 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 80.87 37.99 17.47 Favored Glycine 0 N--CA 1.452 -0.3 0 CA-C-N 115.964 -0.562 . . . . 51.22 112.157 -178.277 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -88.07 -133.54 4.3 Favored Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 120.973 -0.632 . . . . 64.12 112.28 178.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -103.56 -29.13 11.32 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.976 0.417 . . . . 71.25 110.924 -175.615 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 81.86 83.99 0.79 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.905 -0.664 . . . . 53.13 112.075 -179.088 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -164.11 147.25 9.48 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.934 -0.395 . . . . 45.11 109.934 -179.453 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -88.94 76.56 7.86 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.81 0.814 . . . . 74.14 110.671 -178.152 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -112.54 -124.87 4.37 Favored Glycine 0 N--CA 1.452 -0.277 0 CA-C-N 114.93 -1.032 . . . . 72.12 111.288 175.598 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 44' ' ' THR . . . . . 0.62 ' H ' ' HA ' ' B' ' 30' ' ' LEU . 77.3 m -127.78 144.91 51.06 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.94 -0.393 . . . . 35.03 109.94 175.433 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 45' ' ' ASN . . . . . 0.444 ' HB2' ' HB3' ' B' ' 48' ' ' GLN . 14.3 m120 -79.88 143.0 57.07 Favored Pre-proline 0 CA--C 1.534 0.351 0 CA-C-N 116.214 -0.448 . . . . 71.14 110.238 178.78 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 46' ' ' PRO . . . . . 0.565 ' HB3' ' SG ' ' A' ' 57' ' ' CYS . 38.0 Cg_exo -61.32 -64.15 0.09 OUTLIER 'Trans proline' 0 C--N 1.35 0.633 0 C-N-CA 123.18 2.587 . . . . 54.41 113.116 -176.526 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 47' ' ' GLU . . . . . 0.477 ' HG2' HG21 ' B' ' 83' ' ' VAL . 0.0 OUTLIER -63.11 -30.25 71.44 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.009 -0.541 . . . . 73.03 110.311 -175.904 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 48' ' ' GLN . . . . . 0.444 ' HB3' ' HB2' ' B' ' 45' ' ' ASN . 7.7 tt0 -65.01 -42.95 93.97 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.581 -0.736 . . . . 65.22 110.395 175.058 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 49' ' ' LEU . . . . . 0.458 HD12 ' HA3' ' A' ' 53' ' ' GLY . 3.3 tm? -61.09 -47.77 84.76 Favored 'General case' 0 C--O 1.235 0.333 0 N-CA-C 109.074 -0.713 . . . . 73.15 109.074 179.366 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 46.0 t80 -58.78 -46.09 88.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.695 -0.684 . . . . 74.53 110.785 175.568 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 51' ' ' ALA . . . . . 0.416 ' HB2' ' CG1' ' B' ' 83' ' ' VAL . . . -52.45 -53.02 50.94 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.064 -0.516 . . . . 63.22 111.302 178.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.22 -46.87 88.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.054 -0.521 . . . . 74.31 110.896 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 53' ' ' GLY . . . . . 0.483 ' HA3' HD12 ' A' ' 49' ' ' LEU . . . -62.34 -42.06 99.73 Favored Glycine 0 N--CA 1.451 -0.309 0 CA-C-N 115.803 -0.635 . . . . 73.22 112.495 -179.322 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 8.7 t80 -75.49 -34.85 60.88 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 122.11 0.164 . . . . 73.14 110.923 -176.835 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 19.9 p -67.07 -44.66 79.51 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 109.881 -0.415 . . . . 71.55 109.881 178.093 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 56' ' ' ALA . . . . . 0.534 ' HB1' HD21 ' A' ' 30' ' ' LEU . . . -65.01 -43.38 92.7 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.913 -0.585 . . . . 72.32 110.361 175.72 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 57' ' ' CYS . . . . . 0.442 ' SG ' ' HE2' ' B' ' 124' ' ' TYR . 42.1 t -61.83 -36.22 80.53 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.686 -0.688 . . . . 72.4 110.627 178.363 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 11.9 t80 -60.64 -35.37 76.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.91 -0.586 . . . . 52.32 109.697 -179.043 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 96.8 mt -67.25 -41.25 85.91 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.637 -0.71 . . . . 64.41 110.121 175.861 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 21.2 m -64.76 -40.41 95.24 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 116.055 -0.521 . . . . 73.23 110.87 178.728 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.68 -50.71 56.31 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.009 0.433 . . . . 44.1 110.174 178.71 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 62' ' ' MET . . . . . 0.622 ' HG3' HD11 ' B' ' 73' ' ' LEU . 3.2 tpt -58.04 -30.78 66.42 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 115.714 -0.675 . . . . 71.0 109.876 176.647 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 38.9 ttmt -70.39 -48.13 57.62 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.646 -0.706 . . . . 72.03 110.482 177.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 66.7 t80 -59.75 -36.81 77.4 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 121.118 0.485 . . . . 73.11 109.779 178.584 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 52.9 t -63.45 -49.27 83.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.643 -0.708 . . . . 75.05 109.952 173.183 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 66' ' ' ALA . . . . . 0.461 ' HA ' ' HG3' ' B' ' 71' ' ' GLN . . . -56.26 -32.55 64.63 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.116 -0.493 . . . . 74.13 111.07 -179.785 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -70.12 -30.49 69.71 Favored Glycine 0 N--CA 1.453 -0.194 0 CA-C-N 115.699 -0.682 . . . . 75.04 112.003 -177.128 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 68' ' ' GLN . . . . . 0.401 ' HG3' HD22 ' B' ' 69' ' ' ASN . 11.2 pt20 -99.15 -15.13 19.06 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.221 0.534 . . . . 64.5 109.957 -179.077 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 69' ' ' ASN . . . . . 0.401 HD22 ' HG3' ' B' ' 68' ' ' GLN . 1.0 OUTLIER -92.9 -2.54 55.75 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.482 -0.781 . . . . 65.21 110.51 177.289 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 60.61 22.73 12.52 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 115.683 -0.69 . . . . 73.12 111.489 176.482 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 71' ' ' GLN . . . . . 0.461 ' HG3' ' HA ' ' B' ' 66' ' ' ALA . 1.6 pt20 -104.75 165.04 11.34 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.223 -0.899 . . . . 74.24 109.199 175.81 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 29.1 p -126.23 138.16 53.6 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.425 -0.352 . . . . 74.12 110.16 -177.601 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 73' ' ' LEU . . . . . 0.622 HD11 ' HG3' ' B' ' 62' ' ' MET . 95.8 mt -106.97 137.88 19.65 Favored Pre-proline 0 C--N 1.324 -0.506 0 CA-C-N 116.146 -0.479 . . . . 75.15 110.294 -179.067 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 74' ' ' PRO . . . . . 0.466 ' O ' HG22 ' B' ' 77' ' ' THR . 37.9 Cg_endo -66.4 139.25 53.57 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 123.012 2.474 . . . . 62.01 112.039 177.574 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -76.76 -7.76 56.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.325 0.583 . . . . 71.53 110.577 178.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -87.82 2.79 50.47 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 115.769 -0.651 . . . . 60.22 111.093 -179.365 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 77' ' ' THR . . . . . 0.466 HG22 ' O ' ' B' ' 74' ' ' PRO . 13.0 t -77.76 157.35 30.06 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.141 -0.481 . . . . 73.25 111.236 -177.223 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 8.4 m -148.49 149.08 31.03 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.167 -0.469 . . . . 71.23 110.428 -179.714 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 74.0 t -129.77 119.52 47.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 N-CA-C 109.115 -0.698 . . . . 54.24 109.115 173.066 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 80' ' ' THR . . . . . 0.401 ' HA ' ' HA ' ' A' ' 10' ' ' THR . 24.5 m -105.7 110.59 22.96 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.06 0.457 . . . . 72.42 110.566 -177.238 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -96.61 107.73 20.22 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.823 -0.626 . . . . 73.43 109.643 178.307 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 82' ' ' GLU . . . . . 0.423 ' HA ' ' HA ' ' A' ' 8' ' ' ALA . 35.8 tt0 -103.91 116.78 32.89 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.033 -0.728 . . . . 71.23 109.033 179.264 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 83' ' ' VAL . . . . . 0.477 HG21 ' HG2' ' B' ' 47' ' ' GLU . 14.2 m -105.51 146.83 11.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.959 -0.564 . . . . 71.44 111.17 -174.546 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 84' ' ' GLY . . . . . 0.445 ' HA2' ' HA ' ' A' ' 6' ' ' LYS . . . -141.94 158.64 26.79 Favored Glycine 0 N--CA 1.44 -1.073 0 CA-C-N 115.525 -0.761 . . . . 52.45 111.308 178.344 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -140.65 133.26 31.8 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 N-CA-C 109.238 -0.652 . . . . 73.1 109.238 -178.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 86' ' ' GLY . . . . . 0.403 ' HA2' ' HG ' ' A' ' 4' ' ' LEU . . . -149.63 169.65 29.83 Favored Glycine 0 CA--C 1.517 0.212 0 O-C-N 123.875 0.734 . . . . 52.3 111.448 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 87' ' ' PRO . . . . . 0.739 ' HD3' ' HG ' ' A' ' 4' ' ' LEU . 9.3 Cg_exo -71.13 127.29 13.33 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.743 2.295 . . . . 61.3 111.714 -178.589 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 88' ' ' ASN . . . . . 0.511 ' HB2' ' HB2' ' B' ' 94' ' ' ALA . 24.6 t-20 -73.56 160.08 32.18 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.605 -0.517 . . . . 72.3 109.605 179.26 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -65.09 -16.83 63.9 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-O 120.85 0.357 . . . . 65.22 110.997 -179.376 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -74.05 -21.32 59.99 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-O 121.202 0.525 . . . . 74.05 110.619 174.129 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.24 3.07 44.8 Favored Glycine 0 CA--C 1.519 0.322 0 CA-C-N 115.953 -0.567 . . . . 72.2 112.521 -177.467 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . -98.53 -152.21 27.64 Favored Glycine 0 C--N 1.329 0.194 0 N-CA-C 111.004 -0.838 . . . . 70.13 111.004 176.593 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 93' ' ' PHE . . . . . . . . . . . . . 9.7 m-85 -102.37 155.39 18.27 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 117.299 0.55 . . . . 73.12 110.727 174.793 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 94' ' ' ALA . . . . . 0.511 ' HB2' ' HB2' ' B' ' 88' ' ' ASN . . . -144.59 139.43 28.12 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.396 -0.82 . . . . 62.21 109.312 178.362 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -100.8 149.34 23.94 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.159 0.504 . . . . 74.21 110.858 -178.078 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 96' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -137.72 110.53 7.64 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 114.92 -1.036 . . . . 73.53 108.514 178.837 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 97' ' ' VAL . . . . . 0.495 ' O ' ' HA ' ' B' ' 134' ' ' VAL . 2.4 p -122.92 117.44 51.8 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.082 0 CA-C-O 121.15 0.5 . . . . 65.34 111.253 -176.032 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -106.14 118.59 37.03 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.817 -0.629 . . . . 74.42 110.298 179.826 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 82.8 mt -95.89 111.81 23.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.576 -0.738 . . . . 61.12 109.572 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 100' ' ' ARG . . . . . 0.586 ' HA ' ' O ' ' B' ' 137' ' ' VAL . 86.7 mtt180 -99.04 113.35 25.5 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 110.056 -0.349 . . . . 64.11 110.056 -177.14 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 101' ' ' VAL . . . . . . . . . . . . . 82.5 t -98.21 111.64 28.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.889 -0.596 . . . . 60.12 110.559 -176.624 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -114.14 101.56 9.32 Favored 'General case' 0 C--O 1.236 0.358 0 O-C-N 123.353 0.408 . . . . 53.32 110.028 177.365 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 103' ' ' LEU . . . . . 0.708 HD23 HD22 ' B' ' 106' ' ' LEU . 31.8 tp -113.85 120.4 39.14 Favored Pre-proline 0 C--N 1.324 -0.523 0 N-CA-C 108.687 -0.856 . . . . 72.24 108.687 178.754 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 104' ' ' PRO . . . . . 0.481 ' HD2' HD12 ' B' ' 103' ' ' LEU . 39.2 Cg_endo -69.91 144.27 52.74 Favored 'Trans proline' 0 N--CA 1.459 -0.52 0 C-N-CA 122.083 1.855 . . . . 74.24 111.978 -175.878 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 105' ' ' GLY . . . . . . . . . . . . . . . 72.0 15.17 76.26 Favored Glycine 0 CA--C 1.521 0.439 0 CA-C-N 115.38 -0.827 . . . . 72.34 112.622 -176.815 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 106' ' ' LEU . . . . . 0.708 HD22 HD23 ' B' ' 103' ' ' LEU . 36.2 tp -118.47 139.5 51.32 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 120.913 0.387 . . . . 60.53 111.121 -179.128 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -86.13 148.36 25.72 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.605 -0.725 . . . . 63.12 110.318 174.027 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 108' ' ' ALA . . . . . 0.5 ' O ' ' HG2' ' B' ' 112' ' ' LYS . . . -61.46 -38.88 88.84 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.851 0.357 . . . . 34.32 110.695 178.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -55.59 -42.37 74.71 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 115.946 -0.57 . . . . 64.51 111.379 -179.549 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 110' ' ' ALA . . . . . 0.489 ' O ' HG22 ' B' ' 113' ' ' THR . . . -77.8 -38.08 47.3 Favored 'General case' 0 C--O 1.239 0.539 0 CA-C-O 121.402 0.62 . . . . 72.03 110.173 177.342 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 111' ' ' ALA . . . . . 0.479 ' O ' HG23 ' B' ' 115' ' ' VAL . . . -56.14 -34.91 66.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.395 -0.821 . . . . 64.14 110.809 179.248 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 112' ' ' LYS . . . . . 0.5 ' HG2' ' O ' ' B' ' 108' ' ' ALA . 29.7 mmmt -53.74 -49.37 68.3 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-N 116.29 -0.414 . . . . 74.45 110.691 177.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 113' ' ' THR . . . . . 0.489 HG22 ' O ' ' B' ' 110' ' ' ALA . 1.3 t -74.73 -36.2 62.67 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.399 -0.364 . . . . 72.03 110.364 -177.352 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 114' ' ' LEU . . . . . 0.451 ' HG ' ' O ' ' B' ' 110' ' ' ALA . 51.9 mt -63.16 -46.09 88.78 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-O 120.876 0.369 . . . . 70.23 110.645 -178.857 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 115' ' ' VAL . . . . . 0.532 HG21 HG12 ' B' ' 138' ' ' VAL . 58.3 t -68.69 -36.7 75.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.992 -0.549 . . . . 63.55 110.251 178.595 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -58.87 -51.93 67.93 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-N 116.11 -0.496 . . . . 75.43 110.648 179.535 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 117' ' ' ARG . . . . . 0.471 ' HG2' ' O ' ' B' ' 113' ' ' THR . 5.9 ptm180 -69.98 -46.79 64.43 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-N 115.892 -0.595 . . . . 70.2 110.805 -177.371 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -60.71 -45.33 94.66 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 121.18 0.514 . . . . 61.11 110.983 -176.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 119' ' ' HIS . . . . . 0.545 ' CD2' ' HB3' ' B' ' 129' ' ' ARG . 46.3 t60 -75.0 -1.16 21.4 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 115.753 -0.658 . . . . 74.31 110.683 -177.928 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 120' ' ' HIS . . . . . 0.525 ' HB2' ' NH1' ' B' ' 129' ' ' ARG . 42.3 t-80 -108.58 -40.94 4.95 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 116.152 -0.476 . . . . 61.52 111.16 178.837 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 121' ' ' VAL . . . . . 0.427 HG22 ' O ' ' B' ' 117' ' ' ARG . 24.4 m -92.45 -26.58 4.84 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.428 0 N-CA-C 112.373 0.508 . . . . 63.42 112.373 -172.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 122' ' ' CYS . . . . . 0.542 ' N ' ' HD3' ' B' ' 123' ' ' PRO . 66.6 m -139.45 58.01 11.33 Favored Pre-proline 0 CA--C 1.534 0.342 0 CA-C-O 120.8 0.333 . . . . 74.53 111.815 -178.66 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 123' ' ' PRO . . . . . 0.542 ' HD3' ' N ' ' B' ' 122' ' ' CYS . 53.7 Cg_endo -101.0 -170.3 0.09 OUTLIER 'Trans proline' 0 N--CA 1.452 -0.952 0 C-N-CA 123.274 2.649 . . . . 65.25 111.668 174.072 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 124' ' ' TYR . . . . . 0.442 ' HE2' ' SG ' ' B' ' 57' ' ' CYS . 4.3 m-30 -83.13 -14.67 53.1 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.795 -0.446 . . . . 65.35 109.795 172.513 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 125' ' ' SER . . . . . 0.48 ' O ' HG22 ' B' ' 128' ' ' THR . 31.3 t 176.41 156.49 0.25 Allowed 'General case' 0 C--N 1.334 -0.066 0 CA-C-N 115.405 -0.816 . . . . 64.23 109.592 178.403 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 126' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -59.91 -31.48 69.86 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.644 0.735 . . . . 74.24 109.137 170.701 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 127' ' ' ALA . . . . . 0.431 ' O ' HG23 ' B' ' 132' ' ' VAL . . . -69.42 6.28 1.1 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 114.91 -1.041 . . . . 65.3 112.441 -178.741 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 128' ' ' THR . . . . . 0.518 HG23 ' NE2' ' B' ' 119' ' ' HIS . 4.5 t -96.12 4.15 52.74 Favored 'General case' 0 CA--C 1.516 -0.356 0 N-CA-C 108.418 -0.956 . . . . 55.14 108.418 -173.177 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 129' ' ' ARG . . . . . 0.545 ' HB3' ' CD2' ' B' ' 119' ' ' HIS . 15.7 ptm180 -135.45 -52.46 0.76 Allowed 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 114.829 -1.078 . . . . 75.21 111.005 178.291 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 130' ' ' ASN . . . . . . . . . . . . . 83.9 m-20 -78.91 -28.1 43.89 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.788 -0.642 . . . . 74.14 112.217 -175.28 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 131' ' ' ASN . . . . . 0.412 ' HB3' ' O ' ' B' ' 127' ' ' ALA . 23.5 t-20 -98.62 -42.31 7.32 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.999 0.428 . . . . 75.43 111.025 -175.609 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 132' ' ' VAL . . . . . 0.431 HG23 ' O ' ' B' ' 127' ' ' ALA . 67.5 t -100.31 139.37 21.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.862 -0.608 . . . . 52.13 110.487 -173.796 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 133' ' ' ALA . . . . . . . . . . . . . . . -69.26 83.33 0.36 Allowed 'General case' 0 C--O 1.241 0.62 0 CA-C-O 121.89 0.852 . . . . 72.23 111.023 -178.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 134' ' ' VAL . . . . . 0.495 ' HA ' ' O ' ' B' ' 97' ' ' VAL . 22.1 t -114.26 122.87 69.25 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.801 0 CA-C-N 114.29 -1.323 . . . . 61.1 110.07 177.459 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 135' ' ' ARG . . . . . 0.408 HH11 ' HD2' ' B' ' 135' ' ' ARG . 2.5 tpm_? -94.03 105.47 17.48 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.652 -0.499 . . . . 74.32 109.652 176.449 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 80.7 mt -77.29 101.96 6.51 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-O 121.339 0.59 . . . . 72.41 109.657 175.767 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 137' ' ' VAL . . . . . 0.586 ' O ' ' HA ' ' B' ' 100' ' ' ARG . 0.2 OUTLIER -112.99 114.59 47.41 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 CA-C-N 114.707 -1.133 . . . . 72.22 110.062 -176.979 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 138' ' ' VAL . . . . . 0.532 HG12 HG21 ' B' ' 115' ' ' VAL . 3.5 m -96.81 138.61 21.44 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-N 115.172 -0.922 . . . . 70.52 109.302 -179.035 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 139' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.219 0 CA-C-O 118.548 -0.739 . . . . 71.35 110.87 -175.174 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.4 ptt? . . . . . 0 N--CA 1.485 1.32 0 N-CA-C 110.629 -0.137 . . . . 71.43 110.629 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 55.9 t30 -73.39 77.95 1.38 Allowed 'General case' 0 CA--C 1.532 0.269 0 CA-C-O 121.429 0.633 . . . . 75.52 110.696 176.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.523 HG21 ' HB2' ' A' ' 6' ' ' LYS . 38.2 mm -71.33 136.74 25.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.382 -0.826 . . . . 51.02 111.346 175.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.599 ' HG ' ' HD3' ' B' ' 87' ' ' PRO . 89.9 mt -90.5 -47.36 7.75 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.558 -0.746 . . . . 74.21 110.208 175.397 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 50.8 t80 -136.2 130.73 33.6 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.39 -0.368 . . . . 54.43 110.144 178.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.523 ' HB2' HG21 ' A' ' 3' ' ' ILE . 37.6 ttmt -130.02 132.49 46.25 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.939 0.4 . . . . 62.42 110.804 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 10.1 t -124.17 174.02 7.94 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.695 -0.684 . . . . 73.02 109.458 177.681 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -145.6 134.67 22.69 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-O 120.701 0.286 . . . . 64.34 110.998 -177.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -130.78 120.36 23.65 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.889 -0.596 . . . . 65.14 109.807 178.655 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.55 ' HA ' ' HA ' ' B' ' 80' ' ' THR . 13.7 t -98.31 146.85 25.26 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.953 -0.388 . . . . 73.43 109.953 -177.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 41.4 p -144.53 114.4 7.31 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.894 0.378 . . . . 71.32 111.551 -177.505 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 6.8 m -89.94 159.22 17.03 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.07 -0.514 . . . . 72.12 110.451 178.674 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -92.27 47.85 2.64 Favored Glycine 0 N--CA 1.454 -0.119 0 N-CA-C 110.985 -0.846 . . . . 62.44 110.985 174.497 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -44.04 -98.27 0.01 OUTLIER Glycine 0 C--N 1.341 0.815 0 N-CA-C 114.973 0.749 . . . . 62.02 114.973 -169.271 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.527 ' HA ' ' NE ' ' A' ' 15' ' ' ARG . 4.2 mmp_? -89.17 -54.87 3.91 Favored 'General case' 0 N--CA 1.464 0.243 0 O-C-N 122.481 -0.423 . . . . 73.04 110.085 178.852 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -123.2 -43.28 2.21 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 108.026 -1.102 . . . . 74.22 108.026 171.472 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.418 ' O ' ' HG3' ' A' ' 29' ' ' LYS . . . -164.78 164.41 36.93 Favored Glycine 0 C--N 1.338 0.671 0 N-CA-C 111.36 -0.696 . . . . 73.12 111.36 163.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.497 ' HA ' ' HA ' ' A' ' 29' ' ' LYS . 38.3 ttm180 -140.04 145.85 38.24 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 109.383 -0.599 . . . . 73.24 109.383 177.34 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.493 ' HB2' ' HB2' ' B' ' 56' ' ' ALA . . . -144.43 123.88 13.14 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.988 0.423 . . . . 71.12 110.22 178.219 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 31.9 m -138.28 111.58 8.01 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.845 -0.616 . . . . 63.53 110.598 -178.335 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.576 ' HB3' ' N ' ' A' ' 26' ' ' LEU . 29.0 t -70.58 107.81 4.05 Favored 'General case' 0 C--O 1.245 0.849 0 N-CA-C 107.138 -1.43 . . . . 62.3 107.138 173.023 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.427 ' C ' ' H ' ' A' ' 24' ' ' GLN . 0.0 OUTLIER -58.52 -21.07 51.07 Favored 'General case' 0 N--CA 1.468 0.446 0 O-C-N 125.359 1.662 . . . . 71.44 112.465 -163.785 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -80.45 16.46 1.32 Allowed 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.672 -0.492 . . . . 73.43 109.672 177.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.427 ' H ' ' C ' ' A' ' 22' ' ' HIS . 30.0 mm-40 65.29 22.05 12.05 Favored 'General case' 0 CA--C 1.521 -0.166 0 CA-C-N 115.186 -0.915 . . . . 72.53 110.292 -179.63 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.543 ' HE2' ' HA ' ' A' ' 25' ' ' LYS . 11.5 mmpt? -81.11 -22.82 38.83 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.439 -0.801 . . . . 73.44 109.9 177.154 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.576 ' N ' ' HB3' ' A' ' 21' ' ' SER . 45.9 tp -154.09 142.93 21.03 Favored 'General case' 0 C--O 1.225 -0.234 0 C-N-CA 120.625 -0.43 . . . . 74.42 110.712 177.642 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -155.88 96.8 1.77 Allowed 'General case' 0 C--N 1.327 -0.373 0 O-C-N 123.312 0.383 . . . . 74.13 110.777 174.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.409 HG22 HD11 ' A' ' 26' ' ' LEU . 2.6 m -147.75 166.15 5.44 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.226 0 CA-C-O 121.608 0.718 . . . . 62.12 111.577 176.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.497 ' HA ' ' HA ' ' A' ' 18' ' ' ARG . 10.9 ttpp -110.67 137.23 48.61 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 114.707 -1.133 . . . . 62.42 109.068 172.641 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.626 ' HB2' ' O ' ' A' ' 44' ' ' THR . 0.0 OUTLIER -123.92 177.25 5.85 Favored 'General case' 0 C--O 1.249 1.07 0 CA-C-O 120.997 0.427 . . . . 64.12 110.796 -178.493 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.522 ' HB3' ' HB3' ' A' ' 41' ' ' ALA . 34.0 p -152.84 130.24 11.36 Favored 'General case' 0 N--CA 1.446 -0.66 0 CA-C-N 115.391 -0.822 . . . . 75.34 111.338 -173.535 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.439 ' HB2' ' HB3' ' B' ' 60' ' ' SER . . . -68.59 162.64 61.15 Favored Pre-proline 0 C--N 1.326 -0.448 0 N-CA-C 109.079 -0.711 . . . . 52.21 109.079 171.517 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_exo -59.09 82.79 0.05 OUTLIER 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 121.56 1.507 . . . . 73.33 111.47 175.458 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.514 ' HG3' ' N ' ' A' ' 40' ' ' GLY . 4.0 tmt_? -56.26 -21.5 24.15 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-O 121.21 0.528 . . . . 50.12 110.109 177.667 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 36.7 mm-40 -54.31 -26.6 30.37 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.171 -0.922 . . . . 75.14 111.654 176.747 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 61.0 mt -113.21 -39.42 4.17 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.115 -0.493 . . . . 63.44 110.585 -173.501 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 172.97 65.22 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 121.155 -0.545 . . . . 72.22 112.125 178.445 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.503 ' N ' ' HA ' ' A' ' 34' ' ' ARG . . . -111.37 -132.69 6.08 Favored Glycine 0 N--CA 1.46 0.292 0 C-N-CA 120.738 -0.744 . . . . 73.44 112.578 178.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -134.6 -28.05 1.28 Allowed 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 122.521 0.329 . . . . 63.22 111.178 179.57 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.514 ' N ' ' HG3' ' A' ' 34' ' ' ARG . . . 107.34 96.2 2.44 Favored Glycine 0 C--N 1.336 0.538 0 C-N-CA 120.858 -0.687 . . . . 45.53 113.325 176.79 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.522 ' HB3' ' HB3' ' A' ' 31' ' ' SER . . . -164.62 161.27 20.84 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.698 -0.482 . . . . 44.21 109.698 174.351 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -103.43 66.12 0.87 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.36 0.6 . . . . 71.23 110.452 -178.354 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.451 ' HA3' ' HA ' ' A' ' 30' ' ' LEU . . . -120.15 -152.37 8.95 Favored Glycine 0 N--CA 1.452 -0.274 0 CA-C-N 115.974 -0.557 . . . . 55.55 112.598 -177.632 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.626 ' O ' ' HB2' ' A' ' 30' ' ' LEU . 62.3 m -98.62 140.77 32.34 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 122.562 0.345 . . . . 74.01 110.422 -177.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 19.2 m120 -80.39 131.62 61.32 Favored Pre-proline 0 C--N 1.325 -0.49 0 N-CA-C 110.653 -0.128 . . . . 72.33 110.653 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.808 ' HB3' ' SG ' ' B' ' 57' ' ' CYS . 90.7 Cg_exo -47.62 -45.65 22.98 Favored 'Trans proline' 0 C--N 1.351 0.671 0 C-N-CA 123.605 2.87 . . . . 63.04 112.705 178.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.566 ' HG2' HD11 ' A' ' 95' ' ' LEU . 3.7 mp0 -56.29 -50.74 70.53 Favored 'General case' 0 C--O 1.238 0.466 0 CA-C-N 115.458 -0.792 . . . . 62.13 109.78 -178.531 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -65.7 -38.44 89.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 114.844 -1.071 . . . . 72.35 110.122 -178.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.531 HD12 ' HA3' ' B' ' 53' ' ' GLY . 1.9 tm? -60.25 -51.42 69.64 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.226 -0.443 . . . . 71.11 109.884 -177.04 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 55.8 t80 -62.54 -47.82 82.2 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.153 -0.476 . . . . 64.45 110.44 178.082 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.544 ' HB1' ' HB1' ' A' ' 81' ' ' ALA . . . -55.03 -53.25 58.19 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 116.321 -0.4 . . . . 52.03 111.756 -179.314 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.51 -47.07 77.23 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.214 -0.448 . . . . 51.43 110.672 -178.207 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.404 ' HA3' HD12 ' B' ' 49' ' ' LEU . . . -58.57 -38.45 91.33 Favored Glycine 0 C--O 1.227 -0.288 0 CA-C-N 115.857 -0.61 . . . . 45.35 111.89 177.856 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -68.3 -42.09 79.95 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 122.595 0.358 . . . . 71.4 110.139 178.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 50.8 m -61.74 -52.27 64.94 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-O 121.123 0.487 . . . . 50.31 110.208 178.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.523 ' HB1' HD21 ' B' ' 30' ' ' LEU . . . -60.79 -42.51 97.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.771 -0.65 . . . . 72.41 110.582 177.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 50.8 t -61.97 -36.5 81.63 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.048 -0.523 . . . . 74.4 110.257 178.426 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 21.9 t80 -66.91 -34.87 78.72 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 109.697 -0.483 . . . . 64.12 109.697 -179.376 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.462 HD21 HG23 ' A' ' 79' ' ' VAL . 96.0 mt -70.78 -34.85 72.23 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 115.964 -0.562 . . . . 74.12 110.594 176.695 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 33.2 t -68.71 -44.61 73.55 Favored 'General case' 0 C--O 1.236 0.362 0 N-CA-C 109.523 -0.547 . . . . 74.4 109.523 175.658 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.443 ' O ' HG23 ' A' ' 65' ' ' VAL . . . -60.08 -50.43 73.73 Favored 'General case' 0 C--O 1.223 -0.324 0 CA-C-N 115.622 -0.717 . . . . 64.15 110.169 178.093 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.94 -32.09 69.29 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 116.233 -0.439 . . . . 61.32 110.968 177.64 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.54 ' HB2' ' HZ2' ' A' ' 63' ' ' LYS . 4.4 ttmp? -65.0 -49.4 70.39 Favored 'General case' 0 C--O 1.235 0.322 0 N-CA-C 109.814 -0.439 . . . . 62.32 109.814 177.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 84.4 t80 -64.31 -43.84 93.43 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 115.812 -0.631 . . . . 70.35 110.729 178.287 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.443 HG23 ' O ' ' A' ' 61' ' ' ALA . 54.3 t -54.7 -49.71 65.97 Favored 'Isoleucine or valine' 0 C--O 1.235 0.298 0 CA-C-N 116.138 -0.483 . . . . 51.41 110.167 177.567 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.501 ' HA ' ' HG3' ' A' ' 71' ' ' GLN . . . -56.29 -32.78 64.9 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.962 -0.563 . . . . 55.45 109.881 176.472 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -71.91 -29.45 67.1 Favored Glycine 0 CA--C 1.518 0.234 0 CA-C-N 115.219 -0.9 . . . . 65.01 112.585 -177.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -99.05 -9.54 23.77 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 121.282 0.563 . . . . 73.33 109.858 -179.491 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 24.1 m-80 -103.2 3.02 35.2 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.357 -0.838 . . . . 73.35 110.113 175.424 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.438 ' N ' ' HD3' ' A' ' 70' ' ' LYS . 17.7 mmtp 64.6 19.64 11.88 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 114.868 -1.06 . . . . 70.5 111.422 171.082 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.501 ' HG3' ' HA ' ' A' ' 66' ' ' ALA . 4.0 pt20 -110.68 168.44 9.47 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.11 -0.95 . . . . 65.11 110.063 -179.213 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 3.6 p -127.93 138.05 52.5 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.346 -0.388 . . . . 71.13 110.43 178.14 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.402 ' HA ' ' HD3' ' A' ' 74' ' ' PRO . 94.7 mt -109.12 143.42 27.62 Favored Pre-proline 0 CA--C 1.533 0.323 0 CA-C-N 116.086 -0.507 . . . . 63.13 110.01 -178.787 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.506 ' HB2' ' HG2' ' A' ' 104' ' ' PRO . 31.5 Cg_exo -59.69 131.66 41.29 Favored 'Trans proline' 0 C--N 1.352 0.711 0 C-N-CA 123.048 2.498 . . . . 75.32 112.564 -178.222 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -77.28 0.38 22.3 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 112.054 0.39 . . . . 74.43 112.054 -177.749 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -90.96 1.29 57.16 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.21 0.529 . . . . 72.44 111.172 -178.622 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.411 ' HB ' HD12 ' A' ' 103' ' ' LEU . 9.9 t -74.21 152.55 39.75 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.732 -0.667 . . . . 73.42 112.092 -173.803 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 14.4 m -146.77 149.32 33.15 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 115.577 -0.738 . . . . 65.01 110.164 179.505 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.462 HG23 HD21 ' A' ' 59' ' ' LEU . 69.8 t -126.55 121.65 59.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 N-CA-C 109.564 -0.532 . . . . 73.54 109.564 175.122 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 18.4 m -104.79 111.81 24.69 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.946 0.403 . . . . 61.0 110.626 -178.289 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.544 ' HB1' ' HB1' ' A' ' 51' ' ' ALA . . . -96.37 108.81 21.38 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.913 -0.585 . . . . 75.0 110.07 -179.055 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.434 ' HA ' ' HA ' ' B' ' 8' ' ' ALA . 41.7 tt0 -105.47 107.86 19.07 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.171 -0.468 . . . . 74.0 109.998 -177.351 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.472 HG12 ' HB ' ' A' ' 97' ' ' VAL . 24.7 m -104.85 137.67 33.06 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.329 0 CA-C-O 121.079 0.466 . . . . 74.25 111.642 -174.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -133.85 154.38 21.3 Favored Glycine 0 N--CA 1.444 -0.815 0 N-CA-C 110.78 -0.928 . . . . 64.22 110.78 174.342 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.429 ' CG2' ' HB3' ' B' ' 5' ' ' TYR . 0.0 OUTLIER -137.37 132.54 45.85 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 N-CA-C 109.603 -0.517 . . . . 71.32 109.603 -179.826 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -150.74 169.55 30.56 Favored Glycine 0 CA--C 1.517 0.195 0 CA-C-N 115.635 -0.711 . . . . 64.2 111.496 178.203 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.656 ' HD3' ' HG ' ' B' ' 4' ' ' LEU . 3.4 Cg_exo -78.97 120.16 4.55 Favored 'Trans proline' 0 N--CA 1.46 -0.498 0 C-N-CA 122.757 2.305 . . . . 75.13 111.181 -178.403 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . 0.471 ' HB3' ' HB2' ' A' ' 94' ' ' ALA . 32.7 p30 -84.87 168.92 14.62 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.997 0.427 . . . . 63.43 111.131 -177.617 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -55.74 -27.74 52.2 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 115.346 -0.843 . . . . 74.31 111.131 178.407 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -69.34 -27.42 65.33 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 116.05 -0.523 . . . . 62.35 110.832 -177.374 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.12 15.84 20.56 Favored Glycine 0 C--O 1.233 0.078 0 C-N-CA 121.125 -0.56 . . . . 52.42 112.298 179.197 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -121.92 -165.39 12.52 Favored Glycine 0 N--CA 1.452 -0.278 0 N-CA-C 111.254 -0.739 . . . . 74.12 111.254 176.766 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 41.4 m-85 -98.05 129.38 44.9 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.905 0.383 . . . . 72.25 110.07 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.471 ' HB2' ' HB3' ' A' ' 88' ' ' ASN . . . -116.95 134.38 54.83 Favored 'General case' 0 C--O 1.238 0.496 0 CA-C-N 115.827 -0.624 . . . . 73.43 110.252 -178.435 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.566 HD11 ' HG2' ' A' ' 47' ' ' GLU . 4.4 mm? -100.95 120.36 40.06 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.572 -0.74 . . . . 75.45 110.685 -179.335 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -110.03 110.34 21.22 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 108.406 -0.961 . . . . 62.1 108.406 175.314 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.472 ' HB ' HG12 ' A' ' 83' ' ' VAL . 2.1 p -119.97 111.95 34.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 121.47 0.652 . . . . 41.42 111.648 -175.743 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.468 ' HA ' ' HB2' ' A' ' 135' ' ' ARG . 51.0 mt-10 -84.99 105.97 16.14 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.333 -0.849 . . . . 51.52 109.205 176.462 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 23.9 tp -93.65 109.47 21.11 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.562 -0.533 . . . . 73.33 109.562 -177.561 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.597 ' HA ' ' O ' ' A' ' 137' ' ' VAL . 49.6 mtt-85 -99.46 116.72 32.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.034 -0.53 . . . . 73.43 110.726 -173.335 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 41.9 t -103.72 99.77 9.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 115.938 -0.573 . . . . 72.23 110.339 -176.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -99.12 101.66 13.08 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-O 120.876 0.369 . . . . 73.1 110.411 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.797 HD23 HD22 ' A' ' 106' ' ' LEU . 32.7 tp -115.71 117.46 40.04 Favored Pre-proline 0 C--N 1.328 -0.368 0 N-CA-C 109.3 -0.63 . . . . 73.31 109.3 179.131 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . 0.555 ' HD2' HD12 ' A' ' 103' ' ' LEU . 57.4 Cg_endo -71.79 150.7 56.39 Favored 'Trans proline' 0 C--O 1.235 0.327 0 C-N-CA 122.764 2.309 . . . . 73.52 112.075 -177.303 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 73.56 15.13 79.28 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.688 -0.767 . . . . 54.45 111.94 -177.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.797 HD22 HD23 ' A' ' 103' ' ' LEU . 41.8 tp -129.9 143.04 50.6 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 122.706 0.402 . . . . 65.03 110.919 -176.798 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . 0.427 ' HB3' ' H ' ' A' ' 110' ' ' ALA . 1.6 t70 -81.06 165.54 21.56 Favored 'General case' 0 CA--C 1.511 -0.522 0 CA-C-N 116.08 -0.509 . . . . 72.42 110.835 177.474 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.454 ' O ' ' HG3' ' A' ' 112' ' ' LYS . . . -68.77 -46.47 68.69 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.723 -0.671 . . . . 74.35 109.763 168.463 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -59.41 -41.5 89.64 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-N 115.251 -0.886 . . . . 64.13 111.019 -176.609 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 0.554 ' O ' HG22 ' A' ' 113' ' ' THR . . . -76.64 -43.44 38.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.135 -0.484 . . . . 73.25 109.986 177.691 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -54.53 -34.9 62.57 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 116.054 -0.521 . . . . 54.13 111.369 178.421 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . 0.454 ' HG3' ' O ' ' A' ' 108' ' ' ALA . 10.5 mtpm? -54.63 -49.57 70.2 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.392 -0.367 . . . . 74.23 111.031 179.58 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . 0.554 HG22 ' O ' ' A' ' 110' ' ' ALA . 5.8 t -74.71 -40.07 61.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.851 0.357 . . . . 74.22 110.308 -178.516 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.445 ' HG ' ' O ' ' A' ' 110' ' ' ALA . 42.6 mt -61.97 -49.05 77.66 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.211 -0.45 . . . . 61.01 111.123 -176.836 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 93.7 t -66.11 -35.68 75.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 121.018 0.437 . . . . 72.22 110.074 178.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -60.41 -60.54 3.65 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 115.636 -0.711 . . . . 63.5 110.401 179.446 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . 0.528 ' HG2' ' O ' ' A' ' 113' ' ' THR . 12.1 ptm180 -62.91 -38.05 89.41 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.955 -0.566 . . . . 65.24 110.829 -177.552 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -59.34 -51.11 71.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.994 -0.548 . . . . 63.41 110.675 178.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 37.0 t-80 -68.13 -21.56 64.92 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 116.37 -0.377 . . . . 74.13 110.512 -179.262 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 17.3 m170 -71.53 -54.57 10.11 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 120.948 0.404 . . . . 75.14 110.653 177.293 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 34.3 m -75.04 -29.51 22.15 Favored 'Isoleucine or valine' 0 C--O 1.235 0.306 0 CA-C-N 115.872 -0.604 . . . . 74.54 111.743 -173.516 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 14.1 p -145.82 88.89 6.3 Favored Pre-proline 0 CA--C 1.532 0.264 0 CA-C-O 120.836 0.351 . . . . 72.12 111.044 -179.743 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' PRO . . . . . 0.499 ' O ' ' HB2' ' A' ' 124' ' ' TYR . 17.6 Cg_endo -91.83 -78.19 0.0 OUTLIER 'Trans proline' 0 N--CA 1.453 -0.868 0 C-N-CA 122.888 2.392 . . . . 74.45 111.798 174.427 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' TYR . . . . . 0.499 ' HB2' ' O ' ' A' ' 123' ' ' PRO . 0.3 OUTLIER 165.14 -34.44 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 106.609 -1.626 . . . . 65.44 106.609 177.658 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . 0.54 ' O ' HG22 ' A' ' 128' ' ' THR . 42.1 p -166.1 155.08 11.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 113.722 -1.581 . . . . 62.44 107.901 171.847 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 16.1 m120 -63.73 -31.98 73.32 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.867 0.842 . . . . 73.42 109.417 178.238 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . 0.529 ' O ' ' HB3' ' A' ' 131' ' ' ASN . . . -80.54 6.7 11.74 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 114.859 -1.064 . . . . 54.1 112.279 -176.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' THR . . . . . 0.54 HG22 ' O ' ' A' ' 125' ' ' SER . 5.1 t -89.06 -5.0 58.19 Favored 'General case' 0 CA--C 1.514 -0.414 0 N-CA-C 107.807 -1.183 . . . . 73.21 107.807 -175.848 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 7.4 ptm180 -129.94 -40.08 1.36 Allowed 'General case' 0 N--CA 1.444 -0.766 0 CA-C-N 114.066 -1.424 . . . . 72.04 109.622 179.276 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 88.3 m-20 -78.71 -26.16 44.79 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.336 -0.847 . . . . 71.52 111.592 -177.366 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 131' ' ' ASN . . . . . 0.529 ' HB3' ' O ' ' A' ' 127' ' ' ALA . 2.7 t-20 -103.97 -40.09 6.34 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 121.269 0.557 . . . . 72.12 109.563 178.871 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 20.9 t -98.16 121.52 48.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 115.306 -0.861 . . . . 70.22 109.876 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -76.16 98.65 4.45 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.086 0.469 . . . . 45.42 111.012 -176.765 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . 0.403 HG22 ' CG1' ' A' ' 97' ' ' VAL . 9.8 t -110.39 133.52 55.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.834 -0.621 . . . . 75.02 111.014 -179.718 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . 0.468 ' HB2' ' HA ' ' A' ' 98' ' ' GLU . 18.7 mmt180 -96.47 106.84 19.15 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.645 -0.872 . . . . 72.41 108.645 173.734 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 28.4 mt -77.27 101.56 6.31 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-O 121.445 0.641 . . . . 50.04 110.192 177.387 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . 0.597 ' O ' ' HA ' ' A' ' 100' ' ' ARG . 0.2 OUTLIER -113.69 116.22 51.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.1 -0.955 . . . . 74.42 109.925 -177.901 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 4.0 m -92.67 139.09 18.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.712 -0.676 . . . . 53.11 110.493 -177.637 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.316 -0.886 0 CA-C-N 115.452 -0.795 . . . . 73.13 110.566 -176.34 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 28.1 ptm . . . . . 0 C--O 1.233 0.218 0 CA-C-O 120.889 0.376 . . . . 72.42 110.69 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 42.1 t30 -97.72 86.01 3.7 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.885 -0.598 . . . . 61.35 109.862 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . 0.516 HG21 ' HB2' ' B' ' 6' ' ' LYS . 32.1 mm -67.43 112.29 2.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.055 -0.52 . . . . 72.42 111.319 177.728 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.656 ' HG ' ' HD3' ' A' ' 87' ' ' PRO . 80.7 mt -76.99 -45.42 27.44 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.173 -0.921 . . . . 75.25 110.324 179.235 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 5' ' ' TYR . . . . . 0.429 ' HB3' ' CG2' ' A' ' 85' ' ' ILE . 2.6 t80 -132.12 125.48 31.42 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.616 -0.72 . . . . 75.45 109.57 -176.529 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . 0.516 ' HB2' HG21 ' B' ' 3' ' ' ILE . 34.0 ttmt -136.8 142.45 42.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.924 0.392 . . . . 65.01 110.771 176.226 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . 0.402 ' CB ' ' HZ1' ' B' ' 25' ' ' LYS . 8.5 t -144.85 140.65 28.52 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.587 -0.733 . . . . 72.52 109.372 177.112 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . 0.434 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . . . -107.26 135.23 49.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.882 0.373 . . . . 64.22 110.429 -178.658 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . 0.433 ' HA ' ' H ' ' B' ' 22' ' ' HIS . . . -123.19 148.08 46.17 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.98 -0.554 . . . . 31.45 109.757 178.544 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 9.3 t -124.49 129.76 51.23 Favored 'General case' 0 N--CA 1.44 -0.936 0 N-CA-C 107.894 -1.15 . . . . 64.31 107.894 -177.3 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 50.2 m -126.47 113.26 16.59 Favored 'General case' 0 C--N 1.311 -1.1 0 CA-C-N 115.815 -0.629 . . . . 74.14 110.134 -175.487 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 3.4 m -99.07 158.15 15.86 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.827 -0.624 . . . . 53.42 111.19 -175.093 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -85.51 76.58 2.17 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.883 -0.675 . . . . 71.12 111.616 175.42 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.48 -130.22 0.01 OUTLIER Glycine 0 C--N 1.337 0.584 0 C-N-CA 121.364 -0.446 . . . . 73.4 112.433 175.757 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 68.2 mtp85 -60.4 -54.3 47.21 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 117.333 0.567 . . . . 65.14 109.544 174.408 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 16' ' ' ASP . . . . . 0.531 ' HB3' ' HA ' ' B' ' 31' ' ' SER . 21.6 t0 -125.7 -42.94 1.89 Allowed 'General case' 0 C--O 1.237 0.426 0 CA-C-N 115.946 -0.57 . . . . 65.33 109.839 172.188 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -160.5 157.46 28.86 Favored Glycine 0 N--CA 1.446 -0.649 0 C-N-CA 120.013 -1.089 . . . . 74.22 112.855 171.595 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 18' ' ' ARG . . . . . 0.495 ' HA ' ' HA ' ' B' ' 29' ' ' LYS . 17.0 ttt85 -135.25 147.02 49.14 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 108.815 -0.809 . . . . 74.4 108.815 175.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -143.66 123.8 13.69 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.897 -0.409 . . . . 64.21 109.897 -177.553 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 20' ' ' THR . . . . . 0.451 HG23 ' O ' ' B' ' 26' ' ' LEU . 66.8 m -140.75 119.88 12.86 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.384 -0.371 . . . . 75.11 111.042 -178.283 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 21' ' ' SER . . . . . 0.521 ' HB2' ' HB3' ' B' ' 26' ' ' LEU . 11.0 t -71.08 107.03 3.94 Favored 'General case' 0 C--O 1.246 0.871 0 N-CA-C 105.417 -2.068 . . . . 74.21 105.417 171.794 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 22' ' ' HIS . . . . . 0.433 ' H ' ' HA ' ' B' ' 9' ' ' ALA . 20.6 t-80 -61.57 -26.17 67.78 Favored 'General case' 0 CA--C 1.517 -0.293 0 O-C-N 125.529 1.768 . . . . 73.12 112.11 -161.001 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 34.7 p-10 -80.77 21.43 0.67 Allowed 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.41 0.624 . . . . 63.54 110.141 176.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 24' ' ' GLN . . . . . 0.402 ' H ' ' C ' ' B' ' 22' ' ' HIS . 36.3 mm-40 72.04 25.21 3.06 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 114.712 -1.131 . . . . 71.43 111.911 170.23 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . 0.402 ' HZ1' ' CB ' ' B' ' 7' ' ' THR . 50.2 mtmt -90.27 -22.46 21.59 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.465 -0.334 . . . . 41.25 111.118 175.508 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . 0.521 ' HB3' ' HB2' ' B' ' 21' ' ' SER . 38.8 tp -148.95 143.67 26.32 Favored 'General case' 0 C--O 1.221 -0.43 0 C-N-CA 120.455 -0.498 . . . . 71.52 110.566 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -157.95 99.89 1.7 Allowed 'General case' 0 C--N 1.33 -0.27 0 O-C-N 123.59 0.556 . . . . 53.33 110.542 178.094 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 2.7 m -149.68 177.95 0.72 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.376 0 CA-C-O 121.374 0.606 . . . . 74.12 111.629 176.662 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.495 ' HA ' ' HA ' ' B' ' 18' ' ' ARG . 10.2 ttpt -133.25 146.65 51.62 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 114.932 -1.031 . . . . 64.31 109.204 176.249 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . 0.601 ' HB2' ' O ' ' B' ' 44' ' ' THR . 0.0 OUTLIER -129.59 163.66 25.53 Favored 'General case' 0 C--O 1.251 1.14 0 CA-C-O 121.023 0.439 . . . . 72.32 110.506 178.722 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 31' ' ' SER . . . . . 0.531 ' HA ' ' HB3' ' B' ' 16' ' ' ASP . 57.8 p -170.89 128.27 0.75 Allowed 'General case' 0 N--CA 1.448 -0.534 0 CA-C-N 115.547 -0.752 . . . . 62.35 111.365 -174.237 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 32' ' ' ALA . . . . . 0.404 ' HA ' ' HD2' ' B' ' 33' ' ' PRO . . . -74.12 117.52 62.18 Favored Pre-proline 0 C--O 1.238 0.466 0 CA-C-N 116.221 -0.445 . . . . 75.13 110.007 173.562 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 33' ' ' PRO . . . . . 0.404 ' HD2' ' HA ' ' B' ' 32' ' ' ALA . 22.4 Cg_endo -60.74 149.18 89.09 Favored 'Trans proline' 0 C--N 1.348 0.518 0 C-N-CA 122.537 2.158 . . . . 71.3 111.688 179.367 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 16.2 mtm180 -75.06 67.83 1.79 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.129 0.49 . . . . 71.43 111.454 -178.773 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 68.7 mm-40 -100.05 -46.7 5.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.841 -0.618 . . . . 72.42 110.277 177.042 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 65.3 mt -115.52 5.35 14.41 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 115.917 -0.583 . . . . 63.52 111.09 -176.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 114.52 59.26 0.37 Allowed Glycine 0 N--CA 1.454 -0.133 0 N-CA-C 111.18 -0.768 . . . . 51.22 111.18 -172.452 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -100.21 -136.17 9.23 Favored Glycine 0 C--N 1.335 0.522 0 C-N-CA 121.159 -0.543 . . . . 64.12 112.077 -177.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -110.36 -49.56 3.05 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.898 0.38 . . . . 71.25 111.269 -176.001 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 120.23 79.25 0.57 Allowed Glycine 0 C--N 1.332 0.353 0 C-N-CA 121.092 -0.575 . . . . 53.13 112.02 -178.171 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -177.67 172.76 1.71 Allowed 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 122.756 0.422 . . . . 45.11 110.067 178.651 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -116.41 26.1 10.14 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.387 -0.37 . . . . 74.14 111.318 -177.493 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . 0.44 ' O ' ' HD3' ' A' ' 25' ' ' LYS . . . -68.92 -138.89 0.08 OUTLIER Glycine 0 CA--C 1.523 0.567 0 C-N-CA 121.373 -0.441 . . . . 72.12 112.82 179.46 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 44' ' ' THR . . . . . 0.601 ' O ' ' HB2' ' B' ' 30' ' ' LEU . 25.5 m -109.06 139.89 43.33 Favored 'General case' 0 C--N 1.331 -0.229 0 O-C-N 122.412 -0.463 . . . . 35.03 109.89 178.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 45' ' ' ASN . . . . . 0.53 ' HB2' ' HB3' ' B' ' 48' ' ' GLN . 1.5 m-20 -76.74 144.78 73.65 Favored Pre-proline 0 C--N 1.324 -0.52 0 N-CA-C 109.833 -0.432 . . . . 71.14 109.833 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 46' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_exo -57.91 -61.31 0.29 Allowed 'Trans proline' 0 C--N 1.352 0.762 0 C-N-CA 123.03 2.487 . . . . 54.41 113.46 -174.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 47' ' ' GLU . . . . . 0.414 ' CD ' ' H ' ' B' ' 47' ' ' GLU . 0.0 OUTLIER -65.48 -30.74 71.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.31 0.576 . . . . 73.03 109.668 -177.394 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . 0.53 ' HB3' ' HB2' ' B' ' 45' ' ' ASN . 29.2 tt0 -63.33 -39.04 93.47 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.042 -0.981 . . . . 65.22 110.212 174.443 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 49' ' ' LEU . . . . . 0.459 HD23 HG21 ' B' ' 44' ' ' THR . 3.1 tm? -66.5 -48.93 68.25 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 115.935 -0.575 . . . . 73.15 109.501 179.471 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 42.0 t80 -57.72 -43.67 85.41 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 116.481 -0.327 . . . . 74.53 110.487 176.27 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.67 -53.13 61.19 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.358 -0.383 . . . . 63.22 111.108 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -57.95 -49.51 76.53 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-N 116.141 -0.481 . . . . 74.31 110.451 -179.518 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . 0.531 ' HA3' HD12 ' A' ' 49' ' ' LEU . . . -59.88 -56.07 26.86 Favored Glycine 0 N--CA 1.447 -0.593 0 CA-C-N 115.277 -0.874 . . . . 73.22 112.1 179.704 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 54' ' ' TYR . . . . . 0.408 ' CE2' HG21 ' B' ' 128' ' ' THR . 2.3 t80 -54.43 -48.11 72.05 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 122.73 0.412 . . . . 73.14 111.025 -179.48 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 55' ' ' SER . . . . . 0.526 ' OG ' ' HB2' ' B' ' 81' ' ' ALA . 48.9 m -58.18 -50.11 74.68 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 110.268 -0.271 . . . . 71.55 110.268 -179.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 56' ' ' ALA . . . . . 0.552 ' HB1' HD21 ' A' ' 30' ' ' LEU . . . -58.77 -39.73 81.88 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-O 121.223 0.535 . . . . 72.32 110.569 176.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 57' ' ' CYS . . . . . 0.808 ' SG ' ' HB3' ' A' ' 46' ' ' PRO . 65.7 m -62.94 -36.23 82.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.356 -0.838 . . . . 72.4 109.976 178.482 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 30.5 t80 -61.89 -34.07 75.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.83 -0.623 . . . . 52.32 110.243 -177.511 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -67.05 -44.27 80.6 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.187 -0.46 . . . . 64.41 110.64 177.354 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 60' ' ' SER . . . . . 0.439 ' HB3' ' HB2' ' A' ' 32' ' ' ALA . 27.2 m -66.51 -40.92 89.47 Favored 'General case' 0 C--O 1.237 0.419 0 CA-C-O 121.272 0.558 . . . . 73.23 110.278 177.552 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 61' ' ' ALA . . . . . 0.446 ' O ' HG23 ' B' ' 65' ' ' VAL . . . -58.61 -45.74 88.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.662 -0.699 . . . . 44.1 109.778 177.468 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 62' ' ' MET . . . . . 0.528 ' HA ' ' HB ' ' B' ' 65' ' ' VAL . 30.1 mtp -72.84 -25.88 61.28 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.123 -0.49 . . . . 71.0 110.866 177.166 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 11.9 tppt? -59.77 -40.4 88.06 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 108.416 -0.957 . . . . 72.03 108.416 174.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 69.2 t80 -75.7 -48.46 21.86 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 115.192 -0.913 . . . . 73.11 111.183 174.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 65' ' ' VAL . . . . . 0.528 ' HB ' ' HA ' ' B' ' 62' ' ' MET . 41.0 t -54.68 -47.06 73.57 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.466 0 CA-C-O 120.934 0.397 . . . . 75.05 111.209 -177.166 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -58.0 -32.45 67.92 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.289 -0.414 . . . . 74.13 110.184 179.056 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -70.99 -25.41 75.83 Favored Glycine 0 C--N 1.332 0.336 0 CA-C-N 115.589 -0.732 . . . . 75.04 112.337 -178.534 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 68' ' ' GLN . . . . . 0.403 ' HG3' HD22 ' B' ' 69' ' ' ASN . 3.2 pt20 -98.81 -15.16 19.36 Favored 'General case' 0 C--N 1.332 -0.174 0 N-CA-C 109.624 -0.51 . . . . 64.5 109.624 178.607 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 69' ' ' ASN . . . . . 0.403 HD22 ' HG3' ' B' ' 68' ' ' GLN . 0.9 OUTLIER -94.89 -1.05 53.4 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 115.631 -0.713 . . . . 65.21 110.783 178.168 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 70' ' ' LYS . . . . . 0.444 ' HD3' ' N ' ' B' ' 70' ' ' LYS . 21.3 mmtm 65.18 22.44 12.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.507 -0.77 . . . . 73.12 110.85 174.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -114.57 165.13 13.1 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.926 -0.579 . . . . 74.24 110.256 -178.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 17.5 p -124.92 130.41 52.31 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.968 0.413 . . . . 74.12 110.577 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -109.38 142.93 26.72 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.009 -0.541 . . . . 75.15 110.754 178.179 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 74' ' ' PRO . . . . . 0.519 ' O ' HG22 ' B' ' 77' ' ' THR . 26.4 Cg_endo -61.38 150.75 83.56 Favored 'Trans proline' 0 C--N 1.348 0.522 0 C-N-CA 123.287 2.658 . . . . 62.01 112.293 177.789 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -77.2 -21.47 53.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.143 0.497 . . . . 71.53 110.421 174.529 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -80.97 5.29 16.76 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 115.543 -0.753 . . . . 60.22 111.553 -176.111 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 77' ' ' THR . . . . . 0.519 HG22 ' O ' ' B' ' 74' ' ' PRO . 10.3 t -79.39 142.23 36.16 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 120.864 0.364 . . . . 73.25 110.44 179.425 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 33.4 m -140.53 149.77 42.86 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.119 -0.491 . . . . 71.23 110.783 -176.155 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 77.6 t -126.93 125.68 67.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 N-CA-C 109.225 -0.658 . . . . 54.24 109.225 176.649 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 80' ' ' THR . . . . . 0.55 ' HA ' ' HA ' ' A' ' 10' ' ' THR . 22.3 m -110.83 115.27 29.23 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.327 -0.397 . . . . 72.42 110.594 -178.598 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 81' ' ' ALA . . . . . 0.526 ' HB2' ' OG ' ' B' ' 55' ' ' SER . . . -93.24 107.72 19.48 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.09 -0.505 . . . . 73.43 110.293 179.029 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -100.43 109.35 21.5 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.6 -0.518 . . . . 71.23 109.6 178.014 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 45.1 t -104.05 138.77 27.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 71.44 110.957 -173.338 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 84' ' ' GLY . . . . . 0.433 ' HA2' ' HA ' ' A' ' 6' ' ' LYS . . . -129.09 147.3 17.65 Favored Glycine 0 N--CA 1.44 -1.034 0 N-CA-C 111.075 -0.81 . . . . 52.45 111.075 173.706 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -124.66 129.75 73.6 Favored 'Isoleucine or valine' 0 C--O 1.244 0.789 0 N-CA-C 108.852 -0.795 . . . . 73.1 108.852 179.396 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 86' ' ' GLY . . . . . 0.478 ' HA2' ' HG ' ' A' ' 4' ' ' LEU . . . -148.56 169.9 29.09 Favored Glycine 0 N--CA 1.45 -0.406 0 N-CA-C 110.674 -0.97 . . . . 52.3 110.674 -178.318 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 87' ' ' PRO . . . . . 0.599 ' HD3' ' HG ' ' A' ' 4' ' ' LEU . 84.9 Cg_endo -81.66 152.52 17.36 Favored 'Trans proline' 0 N--CA 1.457 -0.635 0 C-N-CA 122.305 2.003 . . . . 61.3 111.253 -177.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 88' ' ' ASN . . . . . . . . . . . . . 37.0 p30 -114.79 161.73 17.8 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.721 -0.474 . . . . 72.3 109.721 175.696 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -69.38 -10.1 56.45 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.415 -0.357 . . . . 65.22 111.158 -178.063 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -69.25 -22.5 63.84 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.054 0.454 . . . . 74.05 110.096 172.121 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.16 2.79 45.06 Favored Glycine 0 C--N 1.33 0.222 0 CA-C-N 115.964 -0.562 . . . . 72.2 112.591 177.338 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . -113.01 -160.24 14.23 Favored Glycine 0 N--CA 1.452 -0.237 0 N-CA-C 111.56 -0.616 . . . . 70.13 111.56 178.202 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 93' ' ' PHE . . . . . . . . . . . . . 35.7 m-85 -97.83 158.09 15.71 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-O 121.056 0.455 . . . . 73.12 110.208 177.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -141.65 133.38 27.15 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.614 -0.721 . . . . 62.21 109.46 -177.11 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -99.75 134.99 41.84 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.88 -0.6 . . . . 74.21 110.478 -179.167 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 96' ' ' ASP . . . . . 0.425 ' HB3' HD11 ' A' ' 3' ' ' ILE . 11.6 t70 -133.03 110.1 10.0 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 115.088 -0.96 . . . . 73.53 108.699 178.099 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 97' ' ' VAL . . . . . 0.812 HG13 HG22 ' B' ' 134' ' ' VAL . 0.9 OUTLIER -120.8 119.78 60.53 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-O 121.662 0.744 . . . . 65.34 111.358 -175.244 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -92.69 112.56 24.56 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 114.881 -1.054 . . . . 74.42 108.983 178.404 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 99' ' ' LEU . . . . . 0.4 ' HB3' HD23 ' B' ' 136' ' ' LEU . 15.8 tp -93.84 108.23 20.04 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.185 -0.672 . . . . 61.12 109.185 -176.646 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 100' ' ' ARG . . . . . 0.575 ' HA ' ' O ' ' B' ' 137' ' ' VAL . 0.1 OUTLIER -99.13 111.09 23.57 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.532 -0.544 . . . . 64.11 109.532 -171.183 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 101' ' ' VAL . . . . . 0.433 HG11 HG22 ' B' ' 115' ' ' VAL . 74.1 t -100.95 114.6 40.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 60.12 111.197 -171.56 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -109.24 101.42 10.44 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 120.893 0.377 . . . . 53.32 110.661 177.288 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 103' ' ' LEU . . . . . 0.862 HD23 HD22 ' B' ' 106' ' ' LEU . 41.0 tp -111.26 115.64 52.09 Favored Pre-proline 0 C--N 1.329 -0.299 0 N-CA-C 108.249 -1.019 . . . . 72.24 108.249 174.411 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 104' ' ' PRO . . . . . 0.562 ' HD2' HD12 ' B' ' 103' ' ' LEU . 40.9 Cg_endo -70.6 142.6 44.63 Favored 'Trans proline' 0 N--CA 1.461 -0.407 0 C-N-CA 122.311 2.007 . . . . 74.24 112.835 -172.469 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 105' ' ' GLY . . . . . . . . . . . . . . . 79.68 -0.21 82.46 Favored Glycine 0 CA--C 1.519 0.339 0 CA-C-N 115.114 -0.948 . . . . 72.34 112.559 -177.47 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 106' ' ' LEU . . . . . 0.862 HD22 HD23 ' B' ' 103' ' ' LEU . 29.3 tp -103.03 136.77 42.23 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.288 0.566 . . . . 60.53 111.377 -176.335 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -77.86 153.72 32.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 114.987 -1.006 . . . . 63.12 110.608 176.542 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -68.51 -43.56 76.56 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.788 0.327 . . . . 34.32 111.088 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -57.54 -42.7 83.47 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 121.156 0.503 . . . . 64.51 110.7 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -74.67 -38.94 62.29 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 115.714 -0.676 . . . . 72.03 110.341 177.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 111' ' ' ALA . . . . . 0.447 ' HA ' HD21 ' B' ' 106' ' ' LEU . . . -56.55 -37.31 70.36 Favored 'General case' 0 CA--C 1.519 -0.222 0 CA-C-N 115.641 -0.709 . . . . 64.14 110.745 -179.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 112' ' ' LYS . . . . . . . . . . . . . 56.2 mmtt -50.97 -46.94 61.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.956 -0.566 . . . . 74.45 111.003 177.554 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 113' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -82.16 -36.27 27.55 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 116.423 -0.353 . . . . 72.03 111.172 -175.05 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 52.3 mt -66.83 -46.15 76.02 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 120.828 0.347 . . . . 70.23 110.332 -178.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 115' ' ' VAL . . . . . 0.433 HG22 HG11 ' B' ' 101' ' ' VAL . 86.9 t -64.16 -38.66 83.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.963 -0.562 . . . . 63.55 110.122 176.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -59.38 -53.65 55.7 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 116.414 -0.357 . . . . 75.43 110.779 -179.158 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 117' ' ' ARG . . . . . . . . . . . . . 7.2 ptm180 -67.98 -41.92 81.59 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 116.093 -0.503 . . . . 70.2 110.771 -176.656 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -62.29 -39.06 91.73 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 121.425 0.631 . . . . 61.11 109.966 177.562 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 119' ' ' HIS . . . . . 0.601 ' HD1' ' HD2' ' B' ' 129' ' ' ARG . 20.9 t-80 -83.99 6.85 20.4 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 115.38 -0.827 . . . . 74.31 110.619 179.423 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 15.3 t-80 -108.87 -37.78 5.77 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 116.254 -0.43 . . . . 61.52 111.087 177.49 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 34.8 m -85.11 -33.75 8.24 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.282 0 N-CA-C 112.047 0.388 . . . . 63.42 112.047 -176.304 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 122' ' ' CYS . . . . . . . . . . . . . 63.8 m -77.13 142.82 68.95 Favored Pre-proline 0 C--O 1.239 0.508 0 CA-C-N 116.707 -0.224 . . . . 74.53 111.567 -176.532 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 123' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_exo -58.51 165.94 6.97 Favored 'Trans proline' 0 C--N 1.356 0.928 0 C-N-CA 122.891 2.394 . . . . 65.25 111.479 174.472 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 124' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 . . . . . 0 N--CA 1.476 0.838 0 C-N-CA 123.249 0.62 . . . . 65.35 110.313 -174.127 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 128' ' ' THR . . . . . 0.588 ' HA ' ' HB ' ' B' ' 132' ' ' VAL . 1.3 t . . . . . 0 N--CA 1.449 -0.478 0 CA-C-O 121.375 0.607 . . . . 55.14 109.497 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 129' ' ' ARG . . . . . 0.601 ' HD2' ' HD1' ' B' ' 119' ' ' HIS . 17.7 ptm180 -114.65 -55.07 2.52 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-N 115.715 -0.675 . . . . 75.21 110.126 -178.235 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 130' ' ' ASN . . . . . 0.425 ' N ' ' HG3' ' B' ' 129' ' ' ARG . 88.4 m-20 -79.36 -25.85 42.17 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.869 -0.605 . . . . 74.14 111.699 -177.786 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 131' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -104.45 -41.79 5.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.249 -0.432 . . . . 75.43 110.632 -178.008 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 132' ' ' VAL . . . . . 0.588 ' HB ' ' HA ' ' B' ' 128' ' ' THR . 46.4 t -112.29 157.8 12.93 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.411 0 CA-C-N 115.838 -0.619 . . . . 52.13 110.486 -173.374 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 133' ' ' ALA . . . . . . . . . . . . . . . -87.83 81.61 7.53 Favored 'General case' 0 C--O 1.239 0.544 0 CA-C-O 121.753 0.787 . . . . 72.23 112.456 -176.378 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 134' ' ' VAL . . . . . 0.812 HG22 HG13 ' B' ' 97' ' ' VAL . 90.7 t -110.69 118.57 57.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 114.764 -1.107 . . . . 61.1 109.606 168.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 5.6 tmm_? -90.69 107.57 19.26 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.348 -0.612 . . . . 74.32 109.348 177.696 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 136' ' ' LEU . . . . . 0.433 HD11 ' CG ' ' B' ' 119' ' ' HIS . 38.6 mt -72.26 109.18 5.83 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.028 -0.533 . . . . 72.41 110.411 179.724 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 137' ' ' VAL . . . . . 0.575 ' O ' ' HA ' ' B' ' 100' ' ' ARG . 0.2 OUTLIER -116.02 114.63 46.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 115.319 -0.855 . . . . 72.22 109.879 -179.912 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 138' ' ' VAL . . . . . . . . . . . . . 4.2 m -89.31 138.52 19.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 115.582 -0.735 . . . . 70.52 109.518 -177.616 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 139' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.312 -1.059 0 CA-C-N 115.177 -0.919 . . . . 71.35 111.689 -174.165 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.444 ' HE3' HD13 ' A' ' 3' ' ' ILE . 15.5 ptt? . . . . . 0 N--CA 1.484 1.262 0 CA-C-O 120.495 0.188 . . . . 71.43 110.512 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . 0.516 ' O ' ' HD2' ' B' ' 87' ' ' PRO . 38.5 t30 -73.29 79.46 1.33 Allowed 'General case' 0 CA--C 1.532 0.281 0 CA-C-O 121.254 0.55 . . . . 75.52 110.362 175.805 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.541 HG21 ' HB2' ' A' ' 6' ' ' LYS . 31.7 mm -74.61 137.9 22.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.629 -0.714 . . . . 51.02 111.523 176.152 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.646 ' HG ' ' HD3' ' B' ' 87' ' ' PRO . 83.4 mt -93.42 -44.9 8.04 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.716 -0.675 . . . . 74.21 109.94 173.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 33.2 t80 -136.65 131.06 33.13 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.003 -0.544 . . . . 54.43 109.819 -178.497 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.541 ' HB2' HG21 ' A' ' 3' ' ' ILE . 30.0 ttmt -138.66 138.73 38.06 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.878 0.37 . . . . 62.42 110.363 177.506 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.469 HG21 ' HB2' ' B' ' 48' ' ' GLN . 11.1 t -142.37 146.54 35.06 Favored 'General case' 0 C--O 1.237 0.444 0 N-CA-C 109.124 -0.695 . . . . 73.02 109.124 -179.592 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.493 ' HA ' ' HA ' ' B' ' 82' ' ' GLU . . . -117.01 154.36 31.06 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 121.012 0.434 . . . . 64.34 111.643 -174.82 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.513 ' HA ' ' HA ' ' A' ' 21' ' ' SER . . . -138.76 121.07 15.94 Favored 'General case' 0 C--O 1.226 -0.169 0 CA-C-N 116.048 -0.524 . . . . 65.14 110.693 177.097 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 7.7 t -98.97 115.83 29.81 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.241 0.543 . . . . 73.43 109.828 178.259 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.551 ' HA ' ' O ' ' A' ' 18' ' ' ARG . 17.7 p -107.37 116.97 32.87 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.042 -0.526 . . . . 71.32 111.135 179.171 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.579 ' HA ' HG22 ' B' ' 78' ' ' THR . 2.4 m -82.58 155.0 24.7 Favored 'General case' 0 C--O 1.238 0.485 0 CA-C-N 115.553 -0.749 . . . . 72.12 110.592 178.828 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -89.61 74.82 1.89 Allowed Glycine 0 CA--C 1.521 0.455 0 C-N-CA 121.147 -0.549 . . . . 62.44 112.974 179.549 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -73.47 -132.16 0.2 Allowed Glycine 0 CA--C 1.525 0.707 0 C-N-CA 121.102 -0.57 . . . . 62.02 112.171 173.099 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.42 ' HB3' ' HB1' ' A' ' 39' ' ' ALA . 9.8 mmt180 -60.9 -55.7 29.84 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 117.144 0.472 . . . . 73.04 110.508 176.676 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.581 ' HB3' ' HA ' ' A' ' 31' ' ' SER . 30.1 t0 -125.99 -42.42 1.89 Allowed 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.206 -0.452 . . . . 74.22 109.917 176.395 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -170.69 152.5 18.83 Favored Glycine 0 N--CA 1.446 -0.697 0 C-N-CA 120.456 -0.878 . . . . 73.12 111.786 171.682 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.551 ' O ' ' HA ' ' A' ' 11' ' ' SER . 3.3 tmt_? -135.2 101.32 4.81 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 108.49 -0.93 . . . . 73.24 108.49 178.195 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -102.38 123.79 46.79 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.907 0.384 . . . . 71.12 111.448 -170.064 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 45.6 m -128.56 111.99 13.83 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.178 -0.465 . . . . 63.53 110.002 176.626 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.513 ' HA ' ' HA ' ' A' ' 9' ' ' ALA . 43.4 t -67.23 107.77 2.48 Favored 'General case' 0 C--O 1.246 0.915 0 N-CA-C 107.858 -1.164 . . . . 62.3 107.858 175.689 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.483 ' H ' ' HA ' ' A' ' 9' ' ' ALA . 36.9 t-80 -48.76 -32.78 9.12 Favored 'General case' 0 C--N 1.348 0.538 0 O-C-N 126.205 2.19 . . . . 71.44 112.887 -167.846 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.439 ' HB2' ' HG2' ' A' ' 25' ' ' LYS . 2.1 m-20 -79.98 25.61 0.36 Allowed 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 120.993 0.425 . . . . 73.43 110.037 -175.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.46 ' H ' ' C ' ' A' ' 22' ' ' HIS . 26.6 mm-40 62.83 21.03 12.57 Favored 'General case' 0 CA--C 1.517 -0.298 0 CA-C-N 115.337 -0.847 . . . . 72.53 109.847 178.233 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.465 ' HB2' ' CB ' ' A' ' 21' ' ' SER . 32.2 mmtp -74.62 -42.23 58.98 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-N 115.227 -0.897 . . . . 73.44 109.057 178.055 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.452 ' N ' ' HB3' ' A' ' 21' ' ' SER . 39.8 tp -150.59 149.63 30.15 Favored 'General case' 0 C--O 1.221 -0.43 0 C-N-CA 120.009 -0.677 . . . . 74.42 111.872 -172.749 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -152.03 105.83 3.12 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-O 121.44 0.638 . . . . 74.13 109.317 172.353 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 3.1 m -151.09 178.02 0.58 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.524 0 CA-C-N 115.613 -0.721 . . . . 62.12 111.386 177.768 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.521 ' HA ' ' HA ' ' A' ' 18' ' ' ARG . 24.0 tttt -133.31 145.73 50.69 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.165 -0.925 . . . . 62.42 109.851 177.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.67 ' HB3' ' HB ' ' A' ' 44' ' ' THR . 0.0 OUTLIER -125.23 152.3 44.76 Favored 'General case' 0 C--O 1.247 0.931 0 CA-C-O 121.139 0.495 . . . . 64.12 109.979 174.316 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.581 ' HA ' ' HB3' ' A' ' 16' ' ' ASP . 73.1 m -168.04 101.58 0.46 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.051 -0.977 . . . . 75.34 109.607 -172.555 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.57 127.19 93.37 Favored Pre-proline 0 N--CA 1.447 -0.624 0 N-CA-C 109.622 -0.51 . . . . 52.21 109.622 178.192 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 5.5 Cg_endo -48.71 140.66 22.16 Favored 'Trans proline' 0 N--CA 1.461 -0.437 0 C-N-CA 122.363 2.042 . . . . 73.33 110.877 174.473 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.659 HH11 ' HA2' ' A' ' 37' ' ' GLY . 0.0 OUTLIER -43.39 -82.34 0.01 OUTLIER 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 123.461 0.705 . . . . 50.12 111.985 -175.516 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 46.39 -72.99 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.386 0 O-C-N 124.319 1.012 . . . . 75.14 113.569 179.559 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.556 ' N ' ' O ' ' A' ' 34' ' ' ARG . 7.1 mp -87.56 -47.85 8.39 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.859 0.838 . . . . 63.44 108.739 -177.335 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.659 ' HA2' HH11 ' A' ' 34' ' ' ARG . . . 166.84 39.12 0.02 OUTLIER Glycine 0 N--CA 1.44 -1.075 0 CA-C-N 114.183 -1.371 . . . . 72.22 110.606 -178.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -79.99 -134.84 1.29 Allowed Glycine 0 N--CA 1.444 -0.795 0 C-N-CA 120.313 -0.946 . . . . 73.44 112.424 -176.243 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.42 ' HB1' ' HB3' ' A' ' 15' ' ' ARG . . . -115.3 -8.74 12.28 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-O 120.833 0.349 . . . . 63.22 111.009 -175.653 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.461 ' HA2' ' H ' ' A' ' 34' ' ' ARG . . . 66.04 69.8 1.26 Allowed Glycine 0 C--N 1.331 0.294 0 CA-C-N 115.661 -0.699 . . . . 45.53 112.355 179.556 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -163.16 173.18 13.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.656 0.265 . . . . 44.21 110.357 -179.78 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -99.93 35.03 2.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.12 -0.491 . . . . 71.23 110.48 -179.005 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -82.06 -163.35 32.13 Favored Glycine 0 C--N 1.332 0.306 0 C-N-CA 121.19 -0.529 . . . . 55.55 112.079 -179.048 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.67 ' HB ' ' HB3' ' A' ' 30' ' ' LEU . 44.8 m -93.64 152.89 18.69 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.584 -0.525 . . . . 74.01 109.584 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -92.19 117.86 67.87 Favored Pre-proline 0 C--N 1.328 -0.368 0 N-CA-C 109.115 -0.698 . . . . 72.33 109.115 176.79 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.407 ' HB3' ' HB3' ' B' ' 57' ' ' CYS . 71.5 Cg_exo -43.31 -50.36 6.7 Favored 'Trans proline' 0 CA--C 1.536 0.606 0 C-N-CA 123.174 2.583 . . . . 63.04 113.154 178.64 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -59.09 -41.99 89.37 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-O 121.27 0.557 . . . . 62.13 110.55 -179.752 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -65.07 -37.82 88.8 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.657 -0.701 . . . . 72.35 110.026 178.706 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.515 HD12 ' HA3' ' B' ' 53' ' ' GLY . 2.7 tm? -62.74 -45.5 92.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.8 -0.636 . . . . 71.11 109.605 -179.793 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 63.8 t80 -64.45 -43.25 94.85 Favored 'General case' 0 C--O 1.224 -0.252 0 CA-C-N 115.994 -0.548 . . . . 64.45 110.67 177.281 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.613 ' HB2' HG11 ' A' ' 83' ' ' VAL . . . -57.17 -52.99 63.1 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.23 -0.441 . . . . 52.03 111.324 177.743 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.457 ' HB1' ' HB1' ' B' ' 19' ' ' ALA . . . -63.36 -42.91 98.9 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.084 -0.507 . . . . 51.43 110.405 -178.76 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.468 ' HA3' HD12 ' B' ' 49' ' ' LEU . . . -63.72 -44.41 96.37 Favored Glycine 0 C--O 1.224 -0.531 0 CA-C-N 115.609 -0.723 . . . . 45.35 112.402 178.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -65.06 -40.86 95.3 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 110.158 -0.312 . . . . 71.4 110.158 -179.641 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.424 ' OG ' ' HB2' ' A' ' 81' ' ' ALA . 49.7 m -62.71 -49.0 76.8 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.447 -0.342 . . . . 50.31 110.124 178.063 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.591 ' HB1' HD21 ' B' ' 30' ' ' LEU . . . -59.54 -47.56 85.05 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-O 121.095 0.474 . . . . 72.41 110.41 177.804 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 81.3 m -55.73 -36.27 67.06 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.456 -0.793 . . . . 74.4 110.628 175.758 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 10.9 t80 -60.59 -40.66 92.58 Favored 'General case' 0 CA--C 1.53 0.186 0 N-CA-C 109.744 -0.465 . . . . 64.12 109.744 -179.196 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.424 ' O ' ' HG3' ' A' ' 63' ' ' LYS . 4.0 mm? -68.29 -51.69 42.0 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.039 -0.528 . . . . 74.12 110.645 177.3 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 37.7 m -56.34 -42.07 77.1 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-O 120.856 0.36 . . . . 74.4 110.969 -179.29 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.19 -44.15 80.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 64.15 110.195 178.478 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . 0.643 ' HG3' HD11 ' A' ' 73' ' ' LEU . 4.3 tpt -59.82 -32.07 70.31 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 115.592 -0.731 . . . . 61.32 110.093 177.642 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.424 ' HG3' ' O ' ' A' ' 59' ' ' LEU . 98.7 mttt -70.79 -48.99 51.29 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 116.26 -0.427 . . . . 62.32 110.49 177.344 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 71.0 t80 -55.37 -41.55 72.75 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 121.248 0.547 . . . . 70.35 109.947 177.318 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 49.2 t -62.83 -47.42 92.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.577 -0.738 . . . . 51.41 110.382 175.188 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -56.19 -34.56 66.36 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.979 -0.555 . . . . 55.45 110.753 -179.658 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -68.64 -31.56 73.59 Favored Glycine 0 N--CA 1.453 -0.182 0 CA-C-N 115.3 -0.864 . . . . 65.01 112.347 -176.257 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -96.69 -15.76 21.28 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.525 -0.546 . . . . 73.33 109.525 -178.55 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 13.7 m-80 -94.17 -1.11 54.69 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.525 -0.762 . . . . 73.35 110.726 176.719 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 20.9 mmtm 62.34 24.55 14.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.467 -0.788 . . . . 70.5 110.81 172.654 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -109.97 168.22 9.58 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.628 -0.714 . . . . 65.11 109.675 177.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 29.7 p -123.51 142.33 51.12 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.983 0.42 . . . . 71.13 110.841 -178.16 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.643 HD11 ' HG3' ' A' ' 62' ' ' MET . 96.2 mt -109.31 138.16 20.42 Favored Pre-proline 0 C--N 1.324 -0.513 0 CA-C-N 115.806 -0.634 . . . . 63.13 110.31 178.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.487 ' O ' HG22 ' A' ' 77' ' ' THR . 30.6 Cg_endo -64.88 139.07 60.57 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.611 2.207 . . . . 75.32 111.44 175.112 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -76.89 -10.15 59.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.206 0.527 . . . . 74.43 111.219 -179.134 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -89.89 5.23 47.23 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.596 -0.729 . . . . 72.44 111.442 -176.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.487 HG22 ' O ' ' A' ' 74' ' ' PRO . 9.7 t -78.64 146.51 34.05 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.2 -0.454 . . . . 73.42 111.265 -177.439 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 75.6 m -148.13 149.68 32.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.282 0.563 . . . . 65.01 110.554 -179.037 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 56.4 t -125.03 121.56 61.25 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-N 115.298 -0.865 . . . . 73.54 108.896 178.22 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 10.0 m -98.21 115.36 28.18 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.457 -0.338 . . . . 61.0 110.333 -179.042 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.526 ' HB1' ' HB1' ' A' ' 51' ' ' ALA . . . -96.03 104.63 16.59 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.87 -0.604 . . . . 75.0 110.622 179.43 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -98.28 110.09 22.74 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.337 -0.616 . . . . 74.0 109.337 176.117 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.613 HG11 ' HB2' ' A' ' 51' ' ' ALA . 16.7 m -114.2 135.59 53.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 121.391 0.615 . . . . 74.25 111.432 -178.126 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.411 ' HA2' ' HA ' ' B' ' 6' ' ' LYS . . . -136.36 162.66 25.12 Favored Glycine 0 N--CA 1.442 -0.944 0 CA-C-N 115.227 -0.897 . . . . 64.22 111.322 177.596 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -138.57 131.93 40.19 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 N-CA-C 109.257 -0.646 . . . . 71.32 109.257 -177.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -149.39 169.77 29.67 Favored Glycine 0 CA--C 1.517 0.181 0 O-C-N 124.143 0.902 . . . . 64.2 111.355 -179.63 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.707 ' HD3' ' HG ' ' B' ' 4' ' ' LEU . 4.7 Cg_exo -72.69 125.07 10.24 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.789 2.326 . . . . 75.13 111.719 -177.59 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . 0.474 ' HB2' ' HB2' ' A' ' 94' ' ' ALA . 25.2 t-20 -73.57 158.6 34.53 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.336 -0.616 . . . . 63.43 109.336 176.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -61.12 -23.95 65.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.787 0.327 . . . . 74.31 111.063 -177.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -69.65 -21.83 63.5 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-O 121.426 0.631 . . . . 62.35 110.587 177.001 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.31 6.61 41.63 Favored Glycine 0 N--CA 1.452 -0.282 0 CA-C-N 115.521 -0.763 . . . . 52.42 111.786 -176.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -97.12 -150.04 26.24 Favored Glycine 0 N--CA 1.45 -0.401 0 N-CA-C 110.854 -0.898 . . . . 74.12 110.854 177.535 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 32.9 m-85 -112.22 150.71 30.51 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 117.0 0.4 . . . . 72.25 110.023 175.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.474 ' HB2' ' HB2' ' A' ' 88' ' ' ASN . . . -139.31 136.65 35.07 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.811 -0.631 . . . . 73.43 109.821 -179.07 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -99.73 127.3 45.87 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.963 -0.562 . . . . 75.45 111.006 -177.53 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -110.01 110.89 21.95 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.122 -0.944 . . . . 62.1 108.793 177.538 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.561 HG22 HG12 ' A' ' 83' ' ' VAL . 49.0 t -119.73 110.82 30.42 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.86 0 CA-C-N 116.017 -0.538 . . . . 41.42 110.813 -175.005 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -101.47 113.37 26.41 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.136 -0.691 . . . . 51.52 109.136 175.625 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 13.6 tp -105.46 108.3 19.75 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.556 -0.535 . . . . 73.33 109.556 -174.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.547 ' HA ' ' O ' ' A' ' 137' ' ' VAL . 41.7 ttt180 -99.15 112.5 24.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.46 . . . . 73.43 109.84 -176.148 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 48.6 t -100.67 99.54 8.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.582 -0.281 . . . . 72.23 110.407 -172.789 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -93.14 101.58 13.88 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-O 120.968 0.414 . . . . 73.1 110.344 179.608 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.949 HD23 HD22 ' A' ' 106' ' ' LEU . 30.5 tp -114.7 111.59 45.88 Favored Pre-proline 0 C--N 1.326 -0.447 0 N-CA-C 108.304 -0.999 . . . . 73.31 108.304 176.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . 0.537 ' HD2' HD12 ' A' ' 103' ' ' LEU . 60.4 Cg_endo -73.12 148.5 44.59 Favored 'Trans proline' 0 N--CA 1.462 -0.358 0 C-N-CA 122.718 2.278 . . . . 73.52 112.868 -171.789 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 72.33 15.27 77.02 Favored Glycine 0 CA--C 1.519 0.333 0 CA-C-N 115.545 -0.752 . . . . 54.45 112.503 -178.194 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.949 HD22 HD23 ' A' ' 103' ' ' LEU . 22.7 tp -115.77 143.68 45.05 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 122.579 0.352 . . . . 65.03 110.759 -175.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -75.9 163.41 27.23 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 116.132 -0.485 . . . . 72.42 110.808 178.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -68.62 -44.57 73.97 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.309 -0.859 . . . . 74.35 109.833 171.179 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -62.43 -48.92 77.56 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 115.316 -0.856 . . . . 64.13 110.369 -177.062 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 0.524 ' O ' ' HG ' ' A' ' 114' ' ' LEU . . . -68.64 -41.42 79.44 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.94 -0.573 . . . . 73.25 110.035 179.663 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . 0.534 ' HA ' HD21 ' A' ' 106' ' ' LEU . . . -54.46 -44.94 73.0 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.175 -0.466 . . . . 54.13 111.503 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 59.0 mmtt -51.62 -47.84 63.52 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.251 -0.431 . . . . 74.23 110.975 177.568 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . 0.502 HG22 ' O ' ' A' ' 110' ' ' ALA . 1.2 t -76.65 -34.96 58.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.471 -0.331 . . . . 74.22 111.27 -174.127 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.524 ' HG ' ' O ' ' A' ' 110' ' ' ALA . 42.0 mt -64.56 -51.8 60.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.782 0.325 . . . . 61.01 110.351 -179.113 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 59.2 t -63.5 -34.62 68.58 Favored 'Isoleucine or valine' 0 C--O 1.24 0.602 0 CA-C-O 121.376 0.608 . . . . 72.22 109.626 178.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . 0.65 ' HA ' ' CD2' ' A' ' 119' ' ' HIS . 24.2 t70 -64.45 -58.72 5.65 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-N 115.636 -0.711 . . . . 63.5 110.694 -179.38 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . 0.438 ' O ' HG22 ' A' ' 121' ' ' VAL . 10.4 ptm180 -60.33 -32.76 71.55 Favored 'General case' 0 N--CA 1.455 -0.188 0 CA-C-N 116.186 -0.461 . . . . 65.24 109.957 -178.69 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -59.17 -56.3 23.99 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-N 115.577 -0.738 . . . . 63.41 110.966 177.13 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . 0.65 ' CD2' ' HA ' ' A' ' 116' ' ' ASP . 16.7 p80 -72.29 -13.58 61.54 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 120.83 0.348 . . . . 74.13 110.565 179.732 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 11.8 t60 -76.23 -51.54 11.87 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.755 -0.657 . . . . 75.14 110.342 -178.546 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.438 HG22 ' O ' ' A' ' 117' ' ' ARG . 25.8 m -100.21 -18.4 6.35 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.325 0 N-CA-C 112.236 0.458 . . . . 74.54 112.236 -174.568 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 47.3 t -121.82 82.71 42.47 Favored Pre-proline 0 N--CA 1.465 0.317 0 CA-C-O 121.023 0.44 . . . . 72.12 110.902 -178.475 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_endo -99.68 134.74 0.23 Allowed 'Trans proline' 0 N--CA 1.453 -0.872 0 C-N-CA 123.198 2.599 . . . . 74.45 112.525 175.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -65.98 -20.72 66.29 Favored 'General case' 0 N--CA 1.468 0.471 0 N-CA-C 108.463 -0.94 . . . . 65.44 108.463 170.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . 0.62 ' O ' HG22 ' A' ' 128' ' ' THR . 29.8 t -176.59 145.67 0.56 Allowed 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 113.647 -1.615 . . . . 62.44 106.894 174.689 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' ASN . . . . . 0.7 ' HB3' HD21 ' B' ' 131' ' ' ASN . 49.0 t30 -59.69 -31.4 69.54 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.801 0.81 . . . . 73.42 109.021 176.849 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . 0.566 ' O ' ' HB3' ' A' ' 131' ' ' ASN . . . -84.44 5.2 28.21 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 114.716 -1.129 . . . . 54.1 112.322 -176.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' THR . . . . . 0.62 HG22 ' O ' ' A' ' 125' ' ' SER . 2.2 t -94.89 -7.31 40.47 Favored 'General case' 0 N--CA 1.467 0.397 0 N-CA-C 109.299 -0.63 . . . . 73.21 109.299 -178.763 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 35.5 ptt180 -121.65 -52.78 2.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.029 -0.987 . . . . 72.04 110.54 -175.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 88.9 m-20 -78.83 -34.23 45.4 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.748 -0.66 . . . . 71.52 111.697 -177.102 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 131' ' ' ASN . . . . . 0.566 ' HB3' ' O ' ' A' ' 127' ' ' ALA . 23.1 t-20 -88.23 -42.78 12.06 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 120.882 0.372 . . . . 72.12 110.483 -178.494 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 59.5 t -88.5 127.85 41.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.101 -0.5 . . . . 70.22 110.019 179.327 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -73.57 85.6 1.57 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.617 0.723 . . . . 45.42 111.113 -177.612 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . 0.526 ' HA ' ' O ' ' A' ' 97' ' ' VAL . 42.3 t -102.14 118.44 48.98 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.634 0 CA-C-N 115.052 -0.976 . . . . 75.02 110.561 176.343 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 19.2 mtm180 -90.13 108.61 19.84 Favored 'General case' 0 C--O 1.234 0.264 0 N-CA-C 109.352 -0.61 . . . . 72.41 109.352 175.259 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 72.1 mt -82.18 108.84 15.96 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.362 0.601 . . . . 50.04 111.004 -179.504 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . 0.547 ' O ' ' HA ' ' A' ' 100' ' ' ARG . 0.2 OUTLIER -116.38 116.73 53.18 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-N 115.037 -0.983 . . . . 74.42 109.637 -179.378 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 4.0 m -89.96 138.99 18.25 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-O 121.251 0.548 . . . . 53.11 110.299 -177.556 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.315 -0.921 0 CA-C-N 115.558 -0.746 . . . . 73.13 110.763 -175.978 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 17.2 ptt? . . . . . 0 C--O 1.233 0.195 0 CA-C-O 120.74 0.305 . . . . 72.42 110.625 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 43.6 t30 -78.2 74.0 4.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.268 0.556 . . . . 61.35 110.806 179.276 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . 0.546 HG21 ' HB2' ' B' ' 6' ' ' LYS . 33.1 mm -67.08 127.54 28.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 115.703 -0.681 . . . . 72.42 111.236 174.747 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.707 ' HG ' ' HD3' ' A' ' 87' ' ' PRO . 87.5 mt -84.78 -45.33 12.47 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.565 -0.743 . . . . 75.25 109.98 175.392 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 5' ' ' TYR . . . . . . . . . . . . . 25.5 t80 -138.81 131.31 28.77 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.201 -0.454 . . . . 75.45 110.322 -178.16 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . 0.546 ' HB2' HG21 ' B' ' 3' ' ' ILE . 30.6 ttmt -139.51 141.14 37.33 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-O 121.27 0.557 . . . . 65.01 111.846 177.297 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 7.8 t -142.48 145.47 33.74 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-N 115.251 -0.886 . . . . 72.52 108.964 178.194 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -118.5 148.49 42.55 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-O 120.766 0.317 . . . . 64.22 111.079 -176.299 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . 0.601 ' HA ' ' H ' ' B' ' 22' ' ' HIS . . . -137.16 136.05 37.88 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.22 -0.445 . . . . 31.45 110.338 -179.37 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . 0.507 HG23 ' HB ' ' B' ' 20' ' ' THR . 7.8 t -98.79 127.2 44.64 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.639 -0.504 . . . . 64.31 109.639 177.532 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 42.1 t -122.77 113.01 18.6 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.429 -0.351 . . . . 74.14 110.372 -177.704 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 17.3 m -100.94 161.46 13.58 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 110.171 -0.307 . . . . 53.42 110.171 -179.237 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -99.22 49.52 1.22 Allowed Glycine 0 N--CA 1.45 -0.373 0 N-CA-C 111.448 -0.661 . . . . 71.12 111.448 176.627 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -40.98 -99.09 0.01 OUTLIER Glycine 0 C--N 1.344 1.008 0 O-C-N 124.329 0.664 . . . . 73.4 114.49 -172.521 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 22.7 mmm180 -84.94 -55.06 4.26 Favored 'General case' 0 N--CA 1.465 0.283 0 O-C-N 122.266 -0.549 . . . . 65.14 109.797 177.449 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 16' ' ' ASP . . . . . 0.407 ' HB3' ' HA ' ' B' ' 31' ' ' SER . 9.8 t70 -122.8 -43.43 2.25 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 108.611 -0.885 . . . . 65.33 108.611 171.218 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 17' ' ' GLY . . . . . 0.514 ' O ' ' HG3' ' B' ' 29' ' ' LYS . . . -164.01 165.02 36.86 Favored Glycine 0 N--CA 1.446 -0.635 0 N-CA-C 111.24 -0.744 . . . . 74.22 111.24 166.819 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 18' ' ' ARG . . . . . 0.592 ' HA ' ' HA ' ' B' ' 29' ' ' LYS . 24.7 ttm180 -147.86 143.33 27.36 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 109.716 -0.476 . . . . 74.4 109.716 179.386 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 19' ' ' ALA . . . . . 0.457 ' HB1' ' HB1' ' A' ' 52' ' ' ALA . . . -134.02 123.71 25.01 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.666 -0.494 . . . . 64.21 109.666 -179.861 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 20' ' ' THR . . . . . 0.507 ' HB ' HG23 ' B' ' 10' ' ' THR . 33.4 m -133.67 115.31 14.47 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.28 -0.418 . . . . 75.11 110.515 -177.257 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 21' ' ' SER . . . . . 0.492 ' HB3' ' N ' ' B' ' 26' ' ' LEU . 32.2 t -72.62 107.15 4.96 Favored 'General case' 0 C--O 1.244 0.809 0 N-CA-C 106.976 -1.49 . . . . 74.21 106.976 174.743 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 22' ' ' HIS . . . . . 0.601 ' H ' ' HA ' ' B' ' 9' ' ' ALA . 0.0 OUTLIER -55.41 -20.43 12.2 Favored 'General case' 0 N--CA 1.469 0.492 0 O-C-N 125.345 1.653 . . . . 73.12 112.249 -165.933 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . 0.523 ' HB2' ' HE2' ' B' ' 25' ' ' LYS . 3.4 m-20 -80.32 18.63 0.86 Allowed 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.583 -0.525 . . . . 63.54 109.583 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 24' ' ' GLN . . . . . 0.424 ' H ' ' C ' ' B' ' 22' ' ' HIS . 27.1 mm-40 64.16 20.39 12.16 Favored 'General case' 0 C--N 1.342 0.26 0 CA-C-N 115.386 -0.824 . . . . 71.43 110.131 -179.426 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . 0.523 ' HE2' ' HB2' ' B' ' 23' ' ' ASP . 51.2 mtmt -84.65 -24.79 28.89 Favored 'General case' 0 N--CA 1.455 -0.202 0 CA-C-N 115.458 -0.792 . . . . 41.25 110.835 179.566 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . 0.492 ' N ' ' HB3' ' B' ' 21' ' ' SER . 53.2 tp -151.31 145.39 25.29 Favored 'General case' 0 C--O 1.222 -0.382 0 C-N-CA 120.604 -0.438 . . . . 71.52 110.986 178.732 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -158.09 95.3 1.37 Allowed 'General case' 0 C--O 1.235 0.319 0 O-C-N 123.645 0.591 . . . . 53.33 109.588 174.193 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 5.2 m -142.31 175.78 4.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 121.323 0.582 . . . . 74.12 111.383 178.739 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.592 ' HA ' ' HA ' ' B' ' 18' ' ' ARG . 3.0 ttpm? -127.82 141.03 51.68 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.17 -0.923 . . . . 64.31 109.884 -178.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . 0.655 ' HA ' ' H ' ' B' ' 44' ' ' THR . 0.0 OUTLIER -123.64 166.11 16.05 Favored 'General case' 0 C--O 1.252 1.222 0 CA-C-N 116.28 -0.418 . . . . 72.32 110.023 178.078 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 31' ' ' SER . . . . . 0.444 ' OG ' ' HB3' ' B' ' 41' ' ' ALA . 24.4 m -154.26 131.32 11.0 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.778 -0.646 . . . . 62.35 111.06 -174.339 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -66.32 134.1 94.59 Favored Pre-proline 0 C--O 1.236 0.355 0 N-CA-C 109.518 -0.549 . . . . 75.13 109.518 173.39 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 33' ' ' PRO . . . . . 0.519 ' HG2' HD12 ' B' ' 36' ' ' LEU . 11.9 Cg_endo -55.85 118.93 5.78 Favored 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 122.363 2.042 . . . . 71.3 111.811 -176.828 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 34' ' ' ARG . . . . . 0.488 ' HG2' ' CA ' ' B' ' 40' ' ' GLY . 0.1 OUTLIER -52.94 -24.54 9.54 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 115.962 -0.563 . . . . 71.43 110.263 -179.903 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -45.49 -39.79 7.69 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 115.046 -0.979 . . . . 72.42 111.755 178.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.602 HD13 HD12 ' B' ' 85' ' ' ILE . 24.0 mt -98.84 17.13 20.21 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.331 -0.849 . . . . 63.52 111.035 -170.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 78.87 43.98 10.67 Favored Glycine 0 N--CA 1.449 -0.436 0 CA-C-N 115.769 -0.651 . . . . 51.22 112.099 -179.616 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -91.41 -135.67 6.68 Favored Glycine 0 N--CA 1.446 -0.664 0 C-N-CA 120.719 -0.753 . . . . 64.12 111.382 179.191 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -105.47 -51.75 2.95 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.779 0.323 . . . . 71.25 110.662 -178.278 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 40' ' ' GLY . . . . . 0.488 ' CA ' ' HG2' ' B' ' 34' ' ' ARG . . . 97.47 102.59 2.16 Favored Glycine 0 C--N 1.331 0.29 0 C-N-CA 121.29 -0.481 . . . . 53.13 112.575 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . 0.444 ' HB3' ' OG ' ' B' ' 31' ' ' SER . . . -160.28 165.63 31.0 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 110.222 -0.288 . . . . 45.11 110.222 175.809 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -80.04 74.47 6.82 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-O 121.779 0.8 . . . . 74.14 110.761 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -134.57 -173.48 13.14 Favored Glycine 0 N--CA 1.45 -0.424 0 CA-C-N 114.894 -1.048 . . . . 72.12 111.892 176.772 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 44' ' ' THR . . . . . 0.655 ' H ' ' HA ' ' B' ' 30' ' ' LEU . 24.8 m -101.1 150.77 22.58 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 110.329 -0.249 . . . . 35.03 110.329 -179.219 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 45' ' ' ASN . . . . . 0.407 ' HB2' ' HB3' ' B' ' 48' ' ' GLN . 15.9 m120 -59.52 116.48 16.66 Favored Pre-proline 0 CA--C 1.53 0.206 0 O-C-N 123.278 0.361 . . . . 71.14 110.348 175.708 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 46' ' ' PRO . . . . . . . . . . . . . 8.6 Cg_endo -52.11 -39.43 70.69 Favored 'Trans proline' 0 C--O 1.241 0.668 0 C-N-CA 122.484 2.122 . . . . 54.41 111.528 174.019 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -55.88 -49.12 74.25 Favored 'General case' 0 C--O 1.238 0.459 0 N-CA-C 108.633 -0.877 . . . . 73.03 108.633 175.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . 0.485 ' NE2' ' HB2' ' A' ' 9' ' ' ALA . 18.4 tp60 -67.48 -31.18 71.15 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 114.308 -1.315 . . . . 65.22 110.867 -179.197 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 49' ' ' LEU . . . . . 0.468 HD12 ' HA3' ' A' ' 53' ' ' GLY . 2.7 tm? -62.84 -51.23 67.81 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.143 -0.688 . . . . 73.15 109.143 -179.204 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 50.7 t80 -61.88 -44.1 97.51 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.157 -0.474 . . . . 74.53 110.513 175.439 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -53.18 -52.03 60.13 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 116.216 -0.447 . . . . 63.22 111.569 178.519 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -66.29 -46.03 78.38 Favored 'General case' 0 C--O 1.238 0.479 0 CA-C-O 121.193 0.521 . . . . 74.31 110.823 -177.145 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . 0.515 ' HA3' HD12 ' A' ' 49' ' ' LEU . . . -61.45 -35.48 91.1 Favored Glycine 0 N--CA 1.449 -0.485 0 CA-C-N 115.678 -0.692 . . . . 73.22 111.803 178.118 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 54' ' ' TYR . . . . . 0.827 ' HA ' ' SG ' ' B' ' 57' ' ' CYS . 2.9 t80 -75.13 -43.34 53.16 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 122.213 0.205 . . . . 73.14 110.702 -179.004 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 55' ' ' SER . . . . . 0.613 ' HB3' ' HB2' ' B' ' 81' ' ' ALA . 58.0 p -62.93 -39.58 95.02 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.869 -0.419 . . . . 71.55 109.869 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 56' ' ' ALA . . . . . 0.531 ' HB1' HD21 ' A' ' 30' ' ' LEU . . . -70.18 -49.26 52.17 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 115.813 -0.631 . . . . 72.32 111.006 177.221 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 57' ' ' CYS . . . . . 0.827 ' SG ' ' HA ' ' B' ' 54' ' ' TYR . 18.9 p -60.28 -36.19 77.27 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 120.897 0.38 . . . . 72.4 110.237 -179.596 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 52.1 t80 -54.96 -32.84 61.85 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 115.924 -0.58 . . . . 52.32 110.217 -179.159 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -68.08 -44.42 76.29 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.301 -0.629 . . . . 64.41 109.301 177.579 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 60' ' ' SER . . . . . 0.475 ' HA ' ' HE2' ' B' ' 63' ' ' LYS . 3.8 m -62.0 -46.23 90.12 Favored 'General case' 0 C--O 1.242 0.672 0 CA-C-O 121.728 0.775 . . . . 73.23 110.139 177.36 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 61' ' ' ALA . . . . . 0.545 ' HB1' ' SG ' ' B' ' 122' ' ' CYS . . . -57.91 -48.26 80.4 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 115.12 -0.945 . . . . 44.1 110.145 178.659 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 62' ' ' MET . . . . . 0.534 ' HA ' ' HB ' ' B' ' 65' ' ' VAL . 18.8 mtp -69.08 -26.79 65.12 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.388 -0.369 . . . . 71.0 110.972 178.615 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . 0.475 ' HE2' ' HA ' ' B' ' 60' ' ' SER . 16.3 ttmm -60.36 -45.94 91.71 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 108.754 -0.832 . . . . 72.03 108.754 175.658 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 48.9 t80 -71.28 -46.37 61.01 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 115.303 -0.862 . . . . 73.11 110.895 176.158 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 65' ' ' VAL . . . . . 0.534 ' HB ' ' HA ' ' B' ' 62' ' ' MET . 41.1 t -57.51 -45.34 85.93 Favored 'Isoleucine or valine' 0 C--O 1.236 0.383 0 CA-C-N 115.836 -0.62 . . . . 75.05 111.42 -176.829 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 66' ' ' ALA . . . . . 0.42 ' HA ' ' HG3' ' B' ' 71' ' ' GLN . . . -56.05 -33.44 64.99 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.105 0.479 . . . . 74.13 110.508 179.815 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -70.59 -32.27 67.6 Favored Glycine 0 N--CA 1.452 -0.258 0 CA-C-N 115.429 -0.805 . . . . 75.04 112.453 -177.16 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 12.8 pt20 -95.47 -13.95 24.13 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.122 0.487 . . . . 64.5 109.704 -178.151 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 69' ' ' ASN . . . . . 0.482 ' ND2' HG13 ' B' ' 65' ' ' VAL . 17.6 m-80 -97.94 5.24 49.13 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.545 -0.752 . . . . 65.21 111.69 178.815 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 64.58 26.23 13.25 Favored 'General case' 0 N--CA 1.47 0.525 0 CA-C-N 115.862 -0.608 . . . . 73.12 111.521 172.769 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . 0.42 ' HG3' ' HA ' ' B' ' 66' ' ' ALA . 2.7 pt20 -122.08 166.7 14.11 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.003 -0.544 . . . . 74.24 110.441 -178.762 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 28.1 p -125.97 139.48 53.41 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.011 -0.54 . . . . 74.12 110.135 -179.635 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 94.4 mt -109.7 137.9 20.51 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.4 -0.363 . . . . 75.15 110.892 179.688 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 74' ' ' PRO . . . . . 0.714 ' HD2' HD11 ' B' ' 103' ' ' LEU . 22.8 Cg_exo -66.79 142.75 64.52 Favored 'Trans proline' 0 C--N 1.349 0.605 0 C-N-CA 122.767 2.311 . . . . 62.01 111.973 172.566 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -74.67 -24.33 58.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.429 0.633 . . . . 71.53 111.706 -178.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -80.8 23.98 0.51 Allowed 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.33 -0.85 . . . . 60.22 111.692 -171.477 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 77' ' ' THR . . . . . 0.515 ' HB ' HD12 ' B' ' 103' ' ' LEU . 9.7 t -89.58 173.12 8.49 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 112.669 0.618 . . . . 73.25 112.669 -174.673 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 78' ' ' THR . . . . . 0.579 HG22 ' HA ' ' A' ' 12' ' ' THR . 0.9 OUTLIER -153.48 149.34 27.61 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 114.939 -1.028 . . . . 71.23 109.855 179.891 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 78.3 t -135.83 124.49 38.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 N-CA-C 109.559 -0.534 . . . . 54.24 109.559 177.234 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 80' ' ' THR . . . . . 0.529 ' HB ' ' HB3' ' B' ' 100' ' ' ARG . 27.3 m -111.03 113.85 26.7 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 120.801 0.334 . . . . 72.42 111.239 -176.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 81' ' ' ALA . . . . . 0.613 ' HB2' ' HB3' ' B' ' 55' ' ' SER . . . -93.23 108.61 20.2 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.821 0.343 . . . . 73.43 110.176 177.06 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 82' ' ' GLU . . . . . 0.493 ' HA ' ' HA ' ' A' ' 8' ' ' ALA . 44.4 tt0 -106.92 107.57 18.65 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.182 -0.673 . . . . 71.23 109.182 179.715 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . 0.507 HG12 HG13 ' B' ' 97' ' ' VAL . 21.4 m -110.96 145.28 17.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 120.993 0.425 . . . . 71.44 111.273 -174.73 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 84' ' ' GLY . . . . . . . . . . . . . . . -136.35 157.24 23.44 Favored Glycine 0 N--CA 1.443 -0.878 0 CA-C-N 115.695 -0.684 . . . . 52.45 111.593 178.628 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 85' ' ' ILE . . . . . 0.602 HD12 HD13 ' B' ' 36' ' ' LEU . 0.0 OUTLIER -134.84 130.82 52.91 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.877 0 N-CA-C 108.94 -0.763 . . . . 73.1 108.94 -179.452 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 86' ' ' GLY . . . . . 0.501 ' HA2' ' HG ' ' A' ' 4' ' ' LEU . . . -139.7 170.19 24.32 Favored Glycine 0 CA--C 1.516 0.105 0 O-C-N 123.993 0.808 . . . . 52.3 111.31 -177.41 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 87' ' ' PRO . . . . . 0.646 ' HD3' ' HG ' ' A' ' 4' ' ' LEU . 74.2 Cg_endo -72.07 141.43 36.36 Favored 'Trans proline' 0 N--CA 1.461 -0.414 0 C-N-CA 122.242 1.962 . . . . 61.3 111.863 -176.558 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 88' ' ' ASN . . . . . . . . . . . . . 47.6 t-20 -94.84 143.92 26.06 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 108.653 -0.869 . . . . 72.3 108.653 177.174 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -62.73 -18.26 62.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.976 0.417 . . . . 65.22 110.891 -177.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -67.41 -24.78 65.69 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 115.817 -0.628 . . . . 74.05 110.547 175.656 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.04 33.71 3.94 Favored Glycine 0 N--CA 1.45 -0.381 0 N-CA-C 111.233 -0.747 . . . . 72.2 111.233 -173.537 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . -140.37 -142.2 4.14 Favored Glycine 0 N--CA 1.451 -0.323 0 N-CA-C 111.288 -0.725 . . . . 70.13 111.288 -179.356 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 93' ' ' PHE . . . . . 0.576 ' CD2' HD11 ' B' ' 85' ' ' ILE . 19.2 m-85 -113.61 157.39 22.17 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.131 0.491 . . . . 73.12 111.211 179.151 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -142.77 136.72 29.15 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.106 -0.952 . . . . 62.21 108.947 177.642 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -102.87 143.46 32.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.176 0.513 . . . . 74.21 111.608 -175.011 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 96' ' ' ASP . . . . . 0.442 ' HB3' HD11 ' A' ' 3' ' ' ILE . 27.7 t70 -132.15 110.46 10.68 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 114.778 -1.101 . . . . 73.53 108.698 178.329 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 97' ' ' VAL . . . . . 0.762 ' HB ' HG22 ' B' ' 134' ' ' VAL . 61.0 t -110.27 110.77 33.4 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.026 0 CA-C-O 120.736 0.303 . . . . 65.34 111.022 -177.069 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 98' ' ' GLU . . . . . 0.548 ' HG2' ' HB2' ' B' ' 135' ' ' ARG . 40.8 mt-10 -98.33 105.5 17.65 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.481 -0.562 . . . . 74.42 109.481 174.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 14.6 tp -94.0 111.42 23.13 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.308 -0.627 . . . . 61.12 109.308 -177.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 100' ' ' ARG . . . . . 0.587 ' HA ' ' O ' ' B' ' 137' ' ' VAL . 59.1 ttt180 -99.16 131.1 45.44 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.699 -0.682 . . . . 64.11 110.016 -175.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 101' ' ' VAL . . . . . . . . . . . . . 93.1 t -117.06 129.35 73.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.475 -0.329 . . . . 60.12 110.856 -175.554 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -126.22 101.53 6.79 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-O 120.913 0.387 . . . . 53.32 110.186 174.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 103' ' ' LEU . . . . . 0.833 HD23 HD22 ' B' ' 106' ' ' LEU . 27.4 tp -115.76 118.58 38.66 Favored Pre-proline 0 C--N 1.329 -0.295 0 N-CA-C 109.056 -0.72 . . . . 72.24 109.056 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 104' ' ' PRO . . . . . 0.522 ' HD2' HD12 ' B' ' 103' ' ' LEU . 57.1 Cg_endo -68.81 146.51 66.32 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 122.554 2.17 . . . . 74.24 113.085 -174.218 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 105' ' ' GLY . . . . . . . . . . . . . . . 70.1 15.05 71.72 Favored Glycine 0 CA--C 1.518 0.237 0 CA-C-N 115.208 -0.906 . . . . 72.34 112.878 -178.643 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 106' ' ' LEU . . . . . 0.833 HD22 HD23 ' B' ' 103' ' ' LEU . 34.6 tp -119.17 140.81 49.56 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-O 120.824 0.345 . . . . 60.53 111.008 -176.85 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -76.71 164.86 25.47 Favored 'General case' 0 CA--C 1.512 -0.506 0 CA-C-N 116.056 -0.52 . . . . 63.12 110.9 178.309 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 108' ' ' ALA . . . . . 0.468 ' O ' ' HG3' ' B' ' 112' ' ' LYS . . . -68.64 -45.59 71.42 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.475 -0.784 . . . . 34.32 109.947 170.416 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -61.16 -47.0 88.22 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 115.645 -0.707 . . . . 64.51 110.727 -176.471 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 110' ' ' ALA . . . . . 0.491 ' O ' HG22 ' B' ' 113' ' ' THR . . . -71.34 -41.42 69.83 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-N 115.699 -0.682 . . . . 72.03 110.194 178.804 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 111' ' ' ALA . . . . . 0.531 ' HA ' HD21 ' B' ' 106' ' ' LEU . . . -54.51 -41.86 70.13 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-N 116.049 -0.523 . . . . 64.14 111.454 178.857 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 112' ' ' LYS . . . . . 0.468 ' HG3' ' O ' ' B' ' 108' ' ' ALA . 28.3 mtpp -52.93 -43.83 66.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.461 -0.336 . . . . 74.45 111.548 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 113' ' ' THR . . . . . 0.491 HG22 ' O ' ' B' ' 110' ' ' ALA . 1.5 t -78.72 -37.64 40.95 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 120.874 -0.33 . . . . 72.03 110.727 -177.613 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 114' ' ' LEU . . . . . 0.412 ' HG ' ' O ' ' B' ' 110' ' ' ALA . 38.5 mt -63.22 -45.9 89.49 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-O 120.956 0.408 . . . . 70.23 110.073 -179.784 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 115' ' ' VAL . . . . . 0.412 HG21 HG12 ' B' ' 138' ' ' VAL . 88.9 t -64.79 -39.12 84.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.749 -0.66 . . . . 63.55 110.029 176.825 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -55.94 -59.28 5.12 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-O 120.907 0.384 . . . . 75.43 110.945 179.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 117' ' ' ARG . . . . . . . . . . . . . 14.5 ptm180 -63.23 -44.73 94.43 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.749 -0.659 . . . . 70.2 111.034 -177.222 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -62.35 -36.48 82.35 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-O 121.391 0.615 . . . . 61.11 110.629 178.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 28.7 t60 -84.04 2.35 39.57 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.457 -0.792 . . . . 74.31 110.208 -178.788 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 57.8 t-80 -108.48 -37.56 5.92 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 120.528 0.204 . . . . 61.52 111.045 178.495 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 30.8 m -79.88 -36.12 16.81 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.319 0 N-CA-C 112.261 0.467 . . . . 63.42 112.261 -175.261 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 122' ' ' CYS . . . . . 0.545 ' SG ' ' HB1' ' B' ' 61' ' ' ALA . 70.0 m -71.34 137.77 83.97 Favored Pre-proline 0 CA--C 1.535 0.387 0 CA-C-N 116.711 -0.222 . . . . 74.53 110.798 -177.256 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 123' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_exo -50.68 -61.24 0.59 Allowed 'Trans proline' 0 C--N 1.355 0.911 0 C-N-CA 123.326 2.684 . . . . 65.25 113.059 -176.262 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 124' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 . . . . . 0 N--CA 1.467 0.395 0 CA-C-O 121.209 0.528 . . . . 65.35 110.401 179.706 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 128' ' ' THR . . . . . 0.462 ' HA ' ' HB ' ' B' ' 132' ' ' VAL . 2.1 t . . . . . 0 C--O 1.224 -0.268 0 CA-C-O 120.827 0.346 . . . . 55.14 110.626 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 129' ' ' ARG . . . . . . . . . . . . . 16.6 ptm180 -110.17 -48.47 3.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.465 0.65 . . . . 75.21 109.981 179.3 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 130' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -79.03 -34.38 43.94 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.452 -0.794 . . . . 74.14 110.935 179.182 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 131' ' ' ASN . . . . . 0.7 HD21 ' HB3' ' A' ' 126' ' ' ASN . 8.1 t-20 -96.6 -40.93 8.78 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.847 -0.615 . . . . 75.43 111.079 -176.596 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 132' ' ' VAL . . . . . 0.48 HG12 ' N ' ' B' ' 133' ' ' ALA . 22.6 t -115.47 167.86 7.74 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.489 0 CA-C-N 116.138 -0.483 . . . . 52.13 110.376 -174.121 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 133' ' ' ALA . . . . . 0.48 ' N ' HG12 ' B' ' 132' ' ' VAL . . . -95.57 97.31 9.66 Favored 'General case' 0 C--O 1.242 0.674 0 CA-C-O 121.514 0.674 . . . . 72.23 112.036 -176.727 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 134' ' ' VAL . . . . . 0.762 HG22 ' HB ' ' B' ' 97' ' ' VAL . 72.6 t -122.71 115.46 45.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.12 -0.946 . . . . 61.1 111.386 177.293 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 135' ' ' ARG . . . . . 0.548 ' HB2' ' HG2' ' B' ' 98' ' ' GLU . 17.2 mtp180 -82.29 122.29 27.75 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.371 -0.831 . . . . 74.32 109.296 173.456 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 51.0 mt -91.97 113.21 25.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.03 0.443 . . . . 72.41 110.935 -178.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 137' ' ' VAL . . . . . 0.587 ' O ' ' HA ' ' B' ' 100' ' ' ARG . 0.2 OUTLIER -117.94 114.22 44.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.472 -0.785 . . . . 72.22 110.401 -179.345 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 138' ' ' VAL . . . . . 0.412 HG12 HG21 ' B' ' 115' ' ' VAL . 4.0 m -98.78 138.57 22.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.812 -0.631 . . . . 70.52 110.188 -179.26 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 139' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.188 0 CA-C-N 115.425 -0.807 . . . . 71.35 111.272 -174.869 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.58 ' HE3' HD13 ' A' ' 3' ' ' ILE . 15.7 ptt? . . . . . 0 N--CA 1.485 1.278 0 CA-C-O 120.538 0.209 . . . . 71.43 110.634 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 57.0 t30 -73.19 79.95 1.29 Allowed 'General case' 0 CA--C 1.53 0.212 0 CA-C-O 121.461 0.648 . . . . 75.52 110.659 176.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.584 HG21 ' HB2' ' A' ' 6' ' ' LYS . 33.8 mm -73.08 136.93 24.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 115.294 -0.866 . . . . 51.02 111.673 176.779 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.701 ' HG ' ' HD3' ' B' ' 87' ' ' PRO . 87.6 mt -85.19 -46.95 10.59 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.93 -0.577 . . . . 74.21 110.244 176.154 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 44.2 t80 -132.07 128.41 38.15 Favored 'General case' 0 C--O 1.222 -0.384 0 N-CA-C 110.084 -0.339 . . . . 54.43 110.084 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.584 ' HB2' HG21 ' A' ' 3' ' ' ILE . 29.4 ttmt -137.79 146.59 43.74 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.087 0.47 . . . . 62.42 111.342 179.678 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 4.9 t -144.11 158.89 43.45 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 115.264 -0.88 . . . . 73.02 109.313 178.34 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -123.25 149.14 45.12 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 121.071 0.462 . . . . 64.34 111.851 -175.517 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.621 ' HA ' ' H ' ' A' ' 22' ' ' HIS . . . -138.33 122.4 17.95 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.863 -0.608 . . . . 65.14 110.288 176.8 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 44.1 m -101.5 119.55 38.94 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.322 -0.399 . . . . 73.43 110.53 -178.794 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 34.4 p -121.08 115.45 23.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.773 0.32 . . . . 71.32 111.138 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 16.7 m -98.65 160.2 14.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 72.12 110.224 177.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -102.44 63.18 0.47 Allowed Glycine 0 N--CA 1.451 -0.338 0 N-CA-C 111.612 -0.595 . . . . 62.44 111.612 177.499 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -55.35 -90.51 0.01 OUTLIER Glycine 0 C--N 1.339 0.7 0 C-N-CA 121.425 -0.417 . . . . 62.02 113.14 -176.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.431 ' HA ' ' NE ' ' A' ' 15' ' ' ARG . 7.4 tpm_? -88.89 -55.08 3.84 Favored 'General case' 0 C--O 1.235 0.294 0 O-C-N 122.396 -0.473 . . . . 73.04 110.276 177.681 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.421 ' HB3' ' HA ' ' A' ' 31' ' ' SER . 18.1 t70 -126.2 -43.39 1.8 Allowed 'General case' 0 N--CA 1.465 0.297 0 C-N-CA 120.939 -0.304 . . . . 74.22 110.223 170.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -169.14 161.66 35.3 Favored Glycine 0 C--N 1.338 0.692 0 C-N-CA 120.716 -0.754 . . . . 73.12 111.67 162.787 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.564 ' HA ' ' HA ' ' A' ' 29' ' ' LYS . 3.8 tmm_? -149.59 122.96 9.02 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.607 -0.516 . . . . 73.24 109.607 -178.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.598 ' HB2' ' HB2' ' B' ' 56' ' ' ALA . . . -117.67 124.1 47.72 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.892 0.377 . . . . 71.12 110.908 -176.409 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 28.6 m -130.68 111.76 12.48 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.855 -0.611 . . . . 63.53 109.569 179.022 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.562 ' HB3' ' N ' ' A' ' 26' ' ' LEU . 46.0 t -67.84 110.71 3.94 Favored 'General case' 0 C--O 1.247 0.951 0 N-CA-C 108.004 -1.11 . . . . 62.3 108.004 177.325 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.621 ' H ' ' HA ' ' A' ' 9' ' ' ALA . 10.0 t-80 -48.49 -40.07 25.31 Favored 'General case' 0 N--CA 1.468 0.45 0 O-C-N 126.016 2.072 . . . . 71.44 113.492 -164.637 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -80.32 26.19 0.37 Allowed 'General case' 0 C--N 1.318 -0.77 0 CA-C-O 121.101 0.477 . . . . 73.43 110.467 -175.009 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.432 ' H ' ' C ' ' A' ' 22' ' ' HIS . 30.1 mm-40 66.59 28.21 9.34 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.266 -0.879 . . . . 72.53 109.921 176.638 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.492 ' HB2' ' OG ' ' A' ' 21' ' ' SER . 73.8 mmtt -86.28 -30.97 21.88 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.048 -0.978 . . . . 73.44 110.0 179.415 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.562 ' N ' ' HB3' ' A' ' 21' ' ' SER . 38.5 tp -153.79 150.69 28.73 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 120.308 -0.557 . . . . 74.42 111.554 -177.431 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -154.88 100.87 2.24 Favored 'General case' 0 C--O 1.234 0.266 0 O-C-N 123.46 0.475 . . . . 74.13 110.391 173.189 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 4.7 m -144.92 176.32 2.27 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.267 0 CA-C-O 121.397 0.617 . . . . 62.12 111.353 177.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.564 ' HA ' ' HA ' ' A' ' 18' ' ' ARG . 9.0 tttp -131.53 143.31 50.29 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.206 -0.907 . . . . 62.42 109.776 -179.594 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.776 ' HA ' ' H ' ' A' ' 44' ' ' THR . 0.0 OUTLIER -127.0 160.44 31.08 Favored 'General case' 0 C--O 1.259 1.567 0 CA-C-O 121.448 0.642 . . . . 64.12 110.942 177.554 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.421 ' HA ' ' HB3' ' A' ' 16' ' ' ASP . 60.0 m -157.73 127.01 5.86 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 114.631 -1.168 . . . . 75.34 110.819 -173.686 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.53 141.4 94.69 Favored Pre-proline 0 C--O 1.238 0.452 0 CA-C-N 116.004 -0.544 . . . . 52.21 111.102 178.56 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_endo -63.21 128.05 21.73 Favored 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 122.741 2.294 . . . . 73.33 112.056 -178.499 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.588 ' HB2' ' CA ' ' A' ' 40' ' ' GLY . 7.0 tpt180 -66.22 -16.48 64.04 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 115.958 -0.564 . . . . 50.12 110.365 -179.218 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -43.95 -51.03 7.95 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 115.336 -0.847 . . . . 75.14 111.928 -175.622 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 41.4 mt -98.01 -41.65 7.87 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.595 -0.73 . . . . 63.44 110.271 -175.003 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 166.28 45.47 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.361 0 CA-C-N 115.654 -0.703 . . . . 72.22 111.613 178.264 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -100.75 -134.09 8.39 Favored Glycine 0 C--N 1.331 0.3 0 C-N-CA 120.896 -0.669 . . . . 73.44 112.042 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -114.36 -27.68 7.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.454 0.169 . . . . 63.22 111.431 -177.559 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.588 ' CA ' ' HB2' ' A' ' 34' ' ' ARG . . . 60.52 34.17 84.61 Favored Glycine 0 C--N 1.333 0.368 0 C-N-CA 121.307 -0.473 . . . . 45.53 112.886 -175.589 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -96.36 158.75 15.29 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 110.409 -0.219 . . . . 44.21 110.409 -179.764 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.464 ' O ' ' HE3' ' A' ' 29' ' ' LYS . 10.3 pt-20 -66.17 79.32 0.09 Allowed 'General case' 0 CA--C 1.532 0.28 0 CA-C-O 121.822 0.82 . . . . 71.23 110.734 177.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -145.04 -173.83 16.69 Favored Glycine 0 N--CA 1.45 -0.428 0 CA-C-N 115.153 -0.93 . . . . 55.55 111.873 178.788 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.776 ' H ' ' HA ' ' A' ' 30' ' ' LEU . 25.6 m -104.65 159.23 15.94 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 110.37 -0.233 . . . . 74.01 110.37 -179.509 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.496 HD22 HG21 ' B' ' 7' ' ' THR . 94.7 m-20 -80.19 121.73 82.12 Favored Pre-proline 0 C--O 1.237 0.427 0 N-CA-C 109.735 -0.468 . . . . 72.33 109.735 173.587 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_exo -57.68 -46.12 28.95 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.703 2.269 . . . . 63.04 111.785 179.461 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -58.39 -36.16 73.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.435 -0.802 . . . . 62.13 110.26 179.156 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -65.99 -39.02 89.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.733 -0.667 . . . . 72.35 109.652 177.26 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.573 HD12 ' HA3' ' B' ' 53' ' ' GLY . 1.8 tm? -64.47 -42.76 95.73 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.47 -0.567 . . . . 71.11 109.47 -178.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 58.0 t80 -65.41 -45.42 84.03 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 116.416 -0.356 . . . . 64.45 110.836 176.68 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.14 -49.87 76.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.012 0.434 . . . . 52.03 110.865 179.198 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.621 ' HB1' ' HB1' ' B' ' 19' ' ' ALA . . . -64.59 -40.83 96.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.888 -0.596 . . . . 51.43 110.496 179.602 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.411 ' O ' ' SG ' ' A' ' 57' ' ' CYS . . . -65.16 -41.46 96.94 Favored Glycine 0 N--CA 1.45 -0.415 0 CA-C-N 115.798 -0.637 . . . . 45.35 112.399 178.404 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -66.26 -45.44 80.53 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 110.002 -0.37 . . . . 71.4 110.002 -179.224 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.468 ' HB3' ' HB2' ' A' ' 81' ' ' ALA . 17.6 p -63.45 -46.57 85.63 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.298 -0.41 . . . . 50.31 110.325 178.502 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.525 ' HB1' HD21 ' B' ' 30' ' ' LEU . . . -59.95 -45.71 91.76 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 116.27 -0.423 . . . . 72.41 110.632 177.645 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.411 ' SG ' ' O ' ' A' ' 53' ' ' GLY . 84.7 m -58.85 -36.39 74.49 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.926 -0.579 . . . . 74.4 110.349 177.204 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -57.18 -38.15 73.2 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 116.009 -0.541 . . . . 64.12 109.925 179.77 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.434 ' O ' ' HB2' ' A' ' 63' ' ' LYS . 4.2 mm? -69.01 -36.95 78.36 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 116.22 -0.445 . . . . 74.12 110.918 177.624 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 19.5 m -68.1 -45.82 72.66 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-O 120.842 0.353 . . . . 74.4 110.473 178.648 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.11 -51.15 60.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.078 -0.51 . . . . 64.15 110.524 -179.427 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 5.7 tpt -57.31 -32.5 66.74 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 115.903 -0.59 . . . . 61.32 110.052 178.352 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.593 ' HB2' ' HZ2' ' A' ' 63' ' ' LYS . 4.0 ttmp? -68.74 -48.94 62.51 Favored 'General case' 0 CA--C 1.529 0.15 0 CA-C-N 115.752 -0.658 . . . . 62.32 110.368 178.628 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 56.0 t80 -60.66 -41.22 94.58 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 116.226 -0.443 . . . . 70.35 110.055 179.217 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 53.9 t -56.32 -52.01 56.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 115.928 -0.578 . . . . 51.41 110.054 174.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -54.68 -35.57 63.71 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.962 -0.563 . . . . 55.45 110.243 177.311 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -68.51 -34.28 78.76 Favored Glycine 0 N--CA 1.449 -0.48 0 CA-C-N 115.197 -0.911 . . . . 65.01 112.194 -177.337 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 -93.15 -11.23 33.33 Favored 'General case' 0 C--N 1.332 -0.162 0 N-CA-C 108.965 -0.754 . . . . 73.33 108.965 -179.26 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -94.24 -0.64 54.97 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.045 -0.98 . . . . 73.35 110.733 176.402 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 3.1 mptp? 60.54 28.81 18.49 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 121.249 0.547 . . . . 70.5 111.391 177.755 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -123.07 162.42 22.46 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.517 -0.765 . . . . 65.11 110.308 179.036 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 17.6 p -126.06 138.1 53.68 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.92 -0.582 . . . . 71.13 109.722 177.199 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.437 HD12 ' H ' ' A' ' 73' ' ' LEU . 0.2 OUTLIER -109.19 147.3 35.68 Favored Pre-proline 0 C--N 1.326 -0.414 0 CA-C-N 116.533 -0.303 . . . . 63.13 110.488 -179.427 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_endo -56.07 126.62 23.0 Favored 'Trans proline' 0 C--N 1.35 0.646 0 C-N-CA 123.143 2.562 . . . . 75.32 112.74 -178.173 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -77.05 -1.74 30.49 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.322 0.582 . . . . 74.43 111.093 179.346 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -84.68 4.4 32.73 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.589 -0.732 . . . . 72.44 110.561 -179.682 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.517 ' HB ' HD12 ' A' ' 103' ' ' LEU . 10.2 t -79.63 167.41 20.73 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.599 -0.728 . . . . 73.42 112.203 -174.703 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -155.75 149.2 24.86 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 115.356 -0.838 . . . . 65.01 110.41 177.836 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 76.8 t -127.03 120.54 55.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 N-CA-C 109.184 -0.673 . . . . 73.54 109.184 174.026 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.418 ' HB ' ' HB3' ' A' ' 100' ' ' ARG . 20.7 m -98.14 113.95 26.01 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.901 -0.591 . . . . 61.0 110.15 -179.185 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.468 ' HB2' ' HB3' ' A' ' 55' ' ' SER . . . -101.62 106.45 17.51 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.107 -0.497 . . . . 75.0 110.012 179.403 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.556 ' HG2' ' HD3' ' B' ' 6' ' ' LYS . 42.5 tt0 -106.96 107.62 18.72 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.49 -0.559 . . . . 74.0 109.49 -179.056 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.41 ' HA ' ' HA ' ' A' ' 97' ' ' VAL . 7.7 p -105.56 139.08 27.82 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.336 0 CA-C-O 120.859 0.361 . . . . 74.25 110.985 -173.379 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.46 ' HA2' ' HA ' ' B' ' 6' ' ' LYS . . . -140.24 175.32 22.02 Favored Glycine 0 N--CA 1.446 -0.636 0 CA-C-N 116.267 -0.424 . . . . 64.22 112.677 -178.536 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -147.61 135.53 14.68 Favored 'Isoleucine or valine' 0 C--O 1.241 0.632 0 N-CA-C 109.208 -0.664 . . . . 71.32 109.208 -178.858 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -147.96 169.8 28.68 Favored Glycine 0 C--O 1.229 -0.217 0 N-CA-C 110.762 -0.935 . . . . 64.2 110.762 179.209 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.702 ' HD3' ' HG ' ' B' ' 4' ' ' LEU . 98.5 Cg_endo -79.49 140.84 15.37 Favored 'Trans proline' 0 N--CA 1.459 -0.524 0 C-N-CA 122.109 1.872 . . . . 75.13 112.287 -177.484 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . 0.401 ' OD1' ' N ' ' A' ' 89' ' ' GLU . 45.9 t-20 -89.34 148.07 23.73 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 108.475 -0.935 . . . . 63.43 108.475 176.046 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.401 ' N ' ' OD1' ' A' ' 88' ' ' ASN . 13.4 pt-20 -61.41 -14.74 30.52 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.004 0.43 . . . . 74.31 111.077 -179.061 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -67.13 -22.56 65.78 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 115.856 -0.611 . . . . 62.35 110.651 175.051 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.15 21.88 9.16 Favored Glycine 0 N--CA 1.454 -0.142 0 CA-C-N 115.691 -0.686 . . . . 52.42 112.017 -179.118 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -129.82 -150.47 6.99 Favored Glycine 0 N--CA 1.451 -0.365 0 N-CA-C 111.185 -0.766 . . . . 74.12 111.185 178.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -107.59 158.76 16.97 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.189 0.519 . . . . 72.25 111.045 178.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -144.48 128.93 17.97 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.215 -0.902 . . . . 73.43 108.807 178.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -97.29 141.31 30.55 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-O 121.133 0.492 . . . . 75.45 111.439 -175.568 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -133.16 150.81 52.0 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 114.901 -1.045 . . . . 62.1 109.061 -176.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.535 ' CG1' HG22 ' A' ' 134' ' ' VAL . 4.9 p -159.18 131.81 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-O 121.361 0.6 . . . . 41.42 110.939 174.24 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -103.75 121.41 42.94 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.184 -0.916 . . . . 51.52 109.918 -176.104 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 82.0 mt -101.09 106.48 17.75 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 109.713 -0.477 . . . . 73.33 109.713 176.026 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.494 ' HA ' HG13 ' A' ' 137' ' ' VAL . 15.1 ttt180 -102.21 104.0 14.54 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.434 -0.803 . . . . 73.43 109.32 -177.025 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 55.1 t -99.46 97.25 5.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.592 0.234 . . . . 72.23 110.858 -169.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -93.04 101.36 13.69 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.372 -0.376 . . . . 73.1 110.248 179.602 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.939 HD23 HD22 ' A' ' 106' ' ' LEU . 28.0 tp -113.98 117.83 43.37 Favored Pre-proline 0 C--O 1.236 0.343 0 N-CA-C 108.657 -0.868 . . . . 73.31 108.657 178.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . 0.541 ' HD2' HD12 ' A' ' 103' ' ' LEU . 61.4 Cg_endo -74.23 151.06 43.13 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.691 2.261 . . . . 73.52 112.331 -175.661 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 69.94 15.41 71.64 Favored Glycine 0 CA--C 1.521 0.415 0 CA-C-N 115.784 -0.644 . . . . 54.45 112.608 -179.032 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.939 HD22 HD23 ' A' ' 103' ' ' LEU . 34.4 tp -119.94 142.66 48.53 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 122.694 0.397 . . . . 65.03 111.266 -176.42 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . 0.412 ' HB3' ' H ' ' A' ' 110' ' ' ALA . 1.9 t70 -77.86 164.97 24.69 Favored 'General case' 0 CA--C 1.513 -0.463 0 CA-C-N 116.095 -0.502 . . . . 72.42 110.821 178.219 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.477 ' O ' ' HG3' ' A' ' 112' ' ' LYS . . . -68.81 -45.62 70.76 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.359 -0.837 . . . . 74.35 109.669 170.148 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -60.89 -46.24 91.42 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 115.516 -0.766 . . . . 64.13 111.049 -177.277 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 0.62 ' O ' HG22 ' A' ' 113' ' ' THR . . . -71.46 -42.11 68.56 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.813 -0.63 . . . . 73.25 110.322 178.682 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . 0.516 ' HA ' HD21 ' A' ' 106' ' ' LEU . . . -54.66 -42.99 71.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.253 -0.43 . . . . 54.13 111.401 178.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . 0.477 ' HG3' ' O ' ' A' ' 108' ' ' ALA . 55.3 mtpt -56.86 -36.54 70.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.484 -0.326 . . . . 74.23 111.862 -178.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . 0.62 HG22 ' O ' ' A' ' 110' ' ' ALA . 1.9 t -81.26 -38.19 27.28 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 120.919 -0.312 . . . . 74.22 110.267 -179.026 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.479 ' HG ' ' O ' ' A' ' 110' ' ' ALA . 54.7 mt -63.91 -49.1 73.99 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 116.397 -0.365 . . . . 61.01 110.685 -177.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.51 HG21 HG12 ' A' ' 138' ' ' VAL . 85.3 t -64.58 -36.36 77.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 72.22 110.246 178.079 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -60.58 -52.86 63.36 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 116.118 -0.492 . . . . 63.5 110.872 -179.014 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . 0.433 ' HG2' ' O ' ' A' ' 113' ' ' THR . 15.4 ptm180 -69.69 -42.24 74.37 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-N 115.873 -0.603 . . . . 65.24 110.785 -177.153 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -59.99 -38.49 82.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.271 0.558 . . . . 63.41 110.199 176.694 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . 0.442 ' CE1' HG21 ' A' ' 128' ' ' THR . 43.8 t-80 -73.57 -24.79 60.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.645 -0.707 . . . . 74.13 110.268 177.007 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 34.7 t-80 -72.36 -37.05 68.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.054 -0.521 . . . . 75.14 110.142 178.1 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 28.0 m -92.16 1.85 8.66 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.414 0 CA-C-N 115.994 -0.548 . . . . 74.54 112.453 -178.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' CYS . . . . . 0.461 ' HA ' ' HD3' ' A' ' 123' ' ' PRO . 21.1 p -72.13 131.42 85.31 Favored Pre-proline 0 CA--C 1.535 0.4 0 C-N-CA 121.09 -0.244 . . . . 72.12 110.388 -179.408 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' PRO . . . . . 0.461 ' HD3' ' HA ' ' A' ' 122' ' ' CYS . 12.4 Cg_exo -71.45 7.77 1.4 Allowed 'Trans proline' 0 C--N 1.353 0.774 0 C-N-CA 123.166 2.577 . . . . 74.45 113.597 -176.514 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 26.9 m-85 -113.75 33.44 5.18 Favored 'General case' 0 N--CA 1.468 0.434 0 N-CA-C 109.207 -0.664 . . . . 65.44 109.207 178.659 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . 0.624 ' O ' HG22 ' A' ' 128' ' ' THR . 8.0 p -57.15 -61.2 2.63 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 115.84 -0.618 . . . . 62.44 112.567 -174.477 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' ASN . . . . . 0.511 ' HB2' ' HB2' ' B' ' 131' ' ' ASN . 18.9 m120 -58.5 -31.88 68.29 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-O 121.317 0.579 . . . . 73.42 109.915 178.782 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -80.71 6.08 13.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.352 -0.84 . . . . 54.1 112.033 -177.057 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' THR . . . . . 0.624 HG22 ' O ' ' A' ' 125' ' ' SER . 0.8 OUTLIER -109.87 -18.84 13.31 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.322 0.582 . . . . 73.21 110.112 -177.346 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 23.4 ptt180 -135.66 -48.54 0.69 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.717 -0.674 . . . . 72.04 112.089 -176.235 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 17.0 m120 -73.85 -38.63 64.43 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.203 -0.453 . . . . 71.52 111.884 -173.551 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 131' ' ' ASN . . . . . 0.52 HD21 ' HA ' ' B' ' 123' ' ' PRO . 0.2 OUTLIER -90.73 -40.55 11.78 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.713 -0.395 . . . . 72.12 110.722 -178.408 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 30.1 m -139.46 175.3 7.6 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.195 0 CA-C-O 120.758 0.313 . . . . 70.22 110.962 -176.737 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -107.73 97.13 6.89 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.304 0.573 . . . . 45.42 110.727 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . 0.535 HG22 ' CG1' ' A' ' 97' ' ' VAL . 28.5 t -94.83 120.17 43.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 115.557 -0.747 . . . . 75.02 110.512 175.003 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 34.1 mmt180 -95.47 127.18 41.29 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.515 -0.55 . . . . 72.41 109.515 177.761 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 45.6 mt -95.58 123.87 39.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.911 0.386 . . . . 50.04 111.403 -178.667 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . 0.494 HG13 ' HA ' ' A' ' 100' ' ' ARG . 0.2 OUTLIER -133.92 128.33 53.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.57 -0.741 . . . . 74.42 110.011 177.415 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . 0.51 HG12 HG21 ' A' ' 115' ' ' VAL . 3.9 m -101.94 139.23 23.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.047 -0.524 . . . . 53.11 109.921 -179.802 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.317 -0.836 0 CA-C-N 115.979 -0.555 . . . . 73.13 110.903 -175.82 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 28.6 ptm . . . . . 0 C--O 1.232 0.168 0 CA-C-O 121.218 0.532 . . . . 72.42 110.798 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 2' ' ' ASN . . . . . 0.504 ' O ' ' HD2' ' A' ' 87' ' ' PRO . 35.7 t30 -96.23 85.07 3.89 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.554 -0.748 . . . . 61.35 109.8 -179.658 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . 0.541 HG21 ' HB2' ' B' ' 6' ' ' LYS . 28.1 mm -70.83 122.93 23.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 116.073 -0.512 . . . . 72.42 111.393 179.353 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.702 ' HG ' ' HD3' ' A' ' 87' ' ' PRO . 92.8 mt -83.64 -41.4 17.83 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.556 -0.747 . . . . 75.25 110.291 178.058 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 5' ' ' TYR . . . . . . . . . . . . . 49.8 t80 -140.69 133.23 28.59 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 116.102 -0.499 . . . . 75.45 110.197 -179.407 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . 0.556 ' HD3' ' HG2' ' A' ' 82' ' ' GLU . 30.7 ttmt -141.98 137.23 31.05 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.133 0.492 . . . . 65.01 110.882 177.657 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . 0.496 HG21 HD22 ' A' ' 45' ' ' ASN . 7.0 t -129.69 137.76 50.78 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.384 -0.826 . . . . 72.52 109.065 -179.842 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . 0.467 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . . . -105.54 151.2 24.6 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.172 0.51 . . . . 64.22 111.549 -173.211 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . 0.432 ' HA ' ' H ' ' B' ' 22' ' ' HIS . . . -137.85 144.49 41.46 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.654 -0.703 . . . . 31.45 109.943 175.727 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 62.4 m -120.28 117.27 27.38 Favored 'General case' 0 N--CA 1.439 -1.008 0 N-CA-C 108.565 -0.902 . . . . 64.31 108.565 -178.194 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 70.6 m -116.0 114.77 25.05 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-N 115.793 -0.64 . . . . 74.14 110.969 -173.466 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . 0.453 HG22 ' N ' ' B' ' 13' ' ' GLY . 15.8 m -98.93 164.35 12.23 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 116.004 -0.544 . . . . 53.42 111.079 -176.513 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 13' ' ' GLY . . . . . 0.453 ' N ' HG22 ' B' ' 12' ' ' THR . . . -94.34 74.42 1.05 Allowed Glycine 0 CA--C 1.519 0.328 0 N-CA-C 111.384 -0.686 . . . . 71.12 111.384 171.772 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -66.61 -95.82 0.03 OUTLIER Glycine 0 C--N 1.335 0.482 0 C-N-CA 121.072 -0.585 . . . . 73.4 112.403 179.141 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 8.1 mpt_? -88.2 -55.08 3.89 Favored 'General case' 0 N--CA 1.466 0.339 0 N-CA-C 109.329 -0.619 . . . . 65.14 109.329 174.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 16' ' ' ASP . . . . . 0.563 ' HB3' ' HA ' ' B' ' 31' ' ' SER . 20.2 t70 -125.68 -42.84 1.9 Allowed 'General case' 0 CA--C 1.514 -0.405 0 CA-C-N 115.748 -0.66 . . . . 65.33 109.469 172.591 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 17' ' ' GLY . . . . . 0.406 ' O ' ' HG3' ' B' ' 29' ' ' LYS . . . -161.31 160.67 32.38 Favored Glycine 0 N--CA 1.445 -0.706 0 CA-C-N 115.294 -0.866 . . . . 74.22 111.631 171.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 18' ' ' ARG . . . . . 0.621 ' HA ' ' HA ' ' B' ' 29' ' ' LYS . 51.1 ttt180 -139.09 151.68 46.91 Favored 'General case' 0 C--N 1.316 -0.852 0 N-CA-C 108.685 -0.857 . . . . 74.4 108.685 177.144 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 19' ' ' ALA . . . . . 0.621 ' HB1' ' HB1' ' A' ' 52' ' ' ALA . . . -142.65 123.79 14.55 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.788 -0.449 . . . . 64.21 109.788 178.711 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 56.5 m -132.82 110.62 10.47 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.53 -0.304 . . . . 75.11 110.535 -179.683 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 21' ' ' SER . . . . . 0.508 ' HB3' ' N ' ' B' ' 26' ' ' LEU . 43.6 t -64.27 107.1 1.23 Allowed 'General case' 0 C--O 1.247 0.928 0 N-CA-C 107.193 -1.41 . . . . 74.21 107.193 177.374 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 22' ' ' HIS . . . . . 0.432 ' H ' ' HA ' ' B' ' 9' ' ' ALA . 86.4 t60 -62.1 -10.99 11.77 Favored 'General case' 0 C--N 1.345 0.406 0 O-C-N 125.869 1.98 . . . . 73.12 111.749 -167.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . 0.458 ' HB3' ' HE3' ' B' ' 25' ' ' LYS . 1.3 m-20 -80.21 9.21 5.95 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.204 -0.665 . . . . 63.54 109.204 175.822 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 33.3 mm-40 71.48 17.45 5.71 Favored 'General case' 0 CA--C 1.518 -0.25 0 CA-C-N 115.095 -0.957 . . . . 71.43 109.907 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . 0.458 ' HE3' ' HB3' ' B' ' 23' ' ' ASP . 86.6 mttt -85.28 -27.87 25.7 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 115.131 -0.94 . . . . 41.25 111.747 -179.484 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . 0.508 ' N ' ' HB3' ' B' ' 21' ' ' SER . 39.9 tp -149.67 147.51 28.18 Favored 'General case' 0 CA--C 1.504 -0.797 0 C-N-CA 119.289 -0.964 . . . . 71.52 112.194 -176.449 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -154.96 100.75 2.22 Favored 'General case' 0 N--CA 1.442 -0.829 0 CA-C-N 115.089 -0.959 . . . . 53.33 109.901 177.296 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 3.1 m -144.9 178.04 1.61 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.407 0 CA-C-N 115.874 -0.603 . . . . 74.12 111.397 179.114 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.621 ' HA ' ' HA ' ' B' ' 18' ' ' ARG . 1.0 OUTLIER -141.57 143.13 33.57 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.341 -0.845 . . . . 64.31 109.816 -179.812 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . 0.713 ' HA ' ' H ' ' B' ' 44' ' ' THR . 0.0 OUTLIER -123.56 154.13 39.66 Favored 'General case' 0 C--O 1.246 0.873 0 CA-C-O 121.239 0.542 . . . . 72.32 110.787 179.058 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 31' ' ' SER . . . . . 0.563 ' HA ' ' HB3' ' B' ' 16' ' ' ASP . 66.2 m -162.87 118.18 1.78 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 114.726 -1.125 . . . . 62.35 109.774 -175.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.32 131.53 90.21 Favored Pre-proline 0 C--O 1.236 0.367 0 CA-C-N 116.097 -0.501 . . . . 75.13 110.408 178.233 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 33' ' ' PRO . . . . . 0.585 ' HD2' ' OD1' ' B' ' 45' ' ' ASN . 11.6 Cg_endo -55.2 151.56 35.0 Favored 'Trans proline' 0 C--N 1.35 0.619 0 C-N-CA 122.552 2.168 . . . . 71.3 111.152 176.621 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 42.7 tpt85 -80.28 -1.16 39.66 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.358 -0.383 . . . . 71.43 110.774 -175.736 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 45.8 mm-40 -42.1 -54.82 3.45 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 115.419 -0.81 . . . . 72.42 112.957 -176.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 6.1 mp -95.93 -51.19 4.57 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.287 0.565 . . . . 63.52 109.677 -178.586 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 178.3 40.15 0.06 OUTLIER Glycine 0 N--CA 1.448 -0.559 0 CA-C-N 115.504 -0.771 . . . . 51.22 111.733 178.499 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -88.79 -130.6 3.74 Favored Glycine 0 C--N 1.333 0.386 0 C-N-CA 120.628 -0.796 . . . . 64.12 111.977 179.758 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -123.74 -14.47 7.23 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.474 0.178 . . . . 71.25 111.22 179.745 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 51.65 40.55 48.36 Favored Glycine 0 C--N 1.334 0.432 0 C-N-CA 121.351 -0.452 . . . . 53.13 112.679 -176.115 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -104.57 172.15 6.95 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.047 0.451 . . . . 45.11 111.105 -177.151 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . 0.499 ' O ' ' HE2' ' B' ' 29' ' ' LYS . 10.1 pt-20 -70.93 76.88 0.64 Allowed 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 115.435 -0.802 . . . . 74.14 111.165 179.409 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -155.43 -175.57 26.61 Favored Glycine 0 CA--C 1.521 0.413 0 C-N-CA 120.967 -0.635 . . . . 72.12 113.26 177.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 44' ' ' THR . . . . . 0.713 ' H ' ' HA ' ' B' ' 30' ' ' LEU . 22.2 m -105.58 162.89 13.1 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 123.16 0.584 . . . . 35.03 110.232 178.311 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 45' ' ' ASN . . . . . 0.585 ' OD1' ' HD2' ' B' ' 33' ' ' PRO . 17.4 t30 -85.81 138.55 35.31 Favored Pre-proline 0 CA--C 1.541 0.609 0 N-CA-C 109.886 -0.412 . . . . 71.14 109.886 -178.613 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 46' ' ' PRO . . . . . 0.487 ' HD2' ' OD1' ' B' ' 45' ' ' ASN . 18.5 Cg_endo -56.49 -57.0 1.61 Allowed 'Trans proline' 0 C--N 1.352 0.761 0 C-N-CA 123.422 2.748 . . . . 54.41 114.331 -172.605 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.08 -30.41 71.36 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 120.9 0.381 . . . . 73.03 110.353 -174.246 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -65.27 -41.89 93.77 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 109.234 -0.654 . . . . 65.22 109.234 175.087 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -59.91 -51.48 69.51 Favored 'General case' 0 C--O 1.239 0.502 0 CA-C-N 115.628 -0.714 . . . . 73.15 109.616 179.495 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 38.7 t80 -60.05 -44.73 94.49 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 116.427 -0.351 . . . . 74.53 110.611 177.302 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . 0.574 ' HB2' HG11 ' B' ' 83' ' ' VAL . . . -56.19 -50.11 72.14 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 116.42 -0.354 . . . . 63.22 111.22 179.525 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.26 -50.64 72.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.087 -0.506 . . . . 74.31 111.089 -179.766 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . 0.573 ' HA3' HD12 ' A' ' 49' ' ' LEU . . . -61.66 -45.1 96.99 Favored Glycine 0 C--N 1.332 0.346 0 C-N-CA 120.937 -0.649 . . . . 73.22 112.325 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -61.11 -53.22 59.75 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 122.825 0.45 . . . . 73.14 110.549 178.519 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 55' ' ' SER . . . . . 0.482 ' OG ' ' HB2' ' B' ' 81' ' ' ALA . 54.2 m -57.7 -48.42 79.61 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.684 0.278 . . . . 71.55 110.545 -178.291 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 56' ' ' ALA . . . . . 0.598 ' HB2' ' HB2' ' A' ' 19' ' ' ALA . . . -59.42 -41.22 89.03 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-O 120.982 0.42 . . . . 72.32 110.638 177.662 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 57' ' ' CYS . . . . . . . . . . . . . 39.2 t -62.88 -36.65 84.0 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.725 -0.67 . . . . 72.4 110.221 176.796 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 48.3 t80 -60.57 -40.2 90.82 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.059 -0.519 . . . . 52.32 110.313 -176.379 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -62.92 -46.5 87.52 Favored 'General case' 0 CA--C 1.53 0.189 0 CA-C-N 116.387 -0.369 . . . . 64.41 110.632 177.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 15.8 t -70.26 -41.81 72.99 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 116.554 -0.294 . . . . 73.23 110.935 -176.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -63.63 -46.93 83.45 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.34 -0.391 . . . . 44.1 110.126 178.478 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 62' ' ' MET . . . . . . . . . . . . . 5.4 tpt -57.83 -37.7 74.3 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 115.851 -0.613 . . . . 71.0 109.65 175.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . 0.452 ' HZ3' ' HB3' ' B' ' 63' ' ' LYS . 7.6 ttpm? -64.33 -45.45 87.82 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.349 -0.841 . . . . 72.03 110.491 178.142 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 79.2 t80 -66.89 -39.83 87.59 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 116.342 -0.39 . . . . 73.11 110.26 -179.701 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 46.5 t -55.39 -47.41 78.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 N-CA-C 109.621 -0.511 . . . . 75.05 109.621 174.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -56.86 -34.15 67.54 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.853 -0.612 . . . . 74.13 110.032 175.529 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -70.35 -35.39 69.25 Favored Glycine 0 N--CA 1.451 -0.364 0 CA-C-N 115.379 -0.828 . . . . 75.04 112.248 -177.003 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -90.57 -13.91 33.57 Favored 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 109.035 -0.728 . . . . 64.5 109.035 -178.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 69' ' ' ASN . . . . . 0.512 ' HB3' ' HG2' ' B' ' 71' ' ' GLN . 8.7 m-80 -93.12 0.07 57.13 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.076 -0.965 . . . . 65.21 110.382 174.597 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 60.35 26.84 16.38 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 115.99 -0.55 . . . . 73.12 111.424 175.627 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . 0.512 ' HG2' ' HB3' ' B' ' 69' ' ' ASN . 4.9 pt20 -119.62 164.94 15.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.62 -0.718 . . . . 74.24 110.103 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 21.5 p -127.7 131.61 49.73 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.018 0.437 . . . . 74.12 110.502 178.195 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -109.38 155.01 41.91 Favored Pre-proline 0 C--N 1.324 -0.528 0 CA-C-N 115.797 -0.638 . . . . 75.15 109.926 177.872 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 74' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_exo -57.91 133.09 53.65 Favored 'Trans proline' 0 C--N 1.35 0.61 0 C-N-CA 122.526 2.151 . . . . 62.01 112.341 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -72.51 -17.3 61.76 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.482 0.658 . . . . 71.53 111.154 177.771 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -87.63 25.27 1.51 Allowed 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.333 -0.849 . . . . 60.22 110.782 -171.317 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 77' ' ' THR . . . . . 0.545 ' CB ' HD22 ' B' ' 103' ' ' LEU . 4.0 t -94.73 156.66 16.29 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.841 -0.618 . . . . 73.25 110.389 178.217 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 60.4 m -148.25 150.31 33.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.979 0.419 . . . . 71.23 110.532 -179.499 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 70.2 t -127.63 127.44 68.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 N-CA-C 109.156 -0.683 . . . . 54.24 109.156 177.48 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 60.9 m -114.21 115.06 26.86 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.741 0.305 . . . . 72.42 110.744 -178.743 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 81' ' ' ALA . . . . . 0.482 ' HB2' ' OG ' ' B' ' 55' ' ' SER . . . -93.3 105.7 17.74 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.022 -0.535 . . . . 73.43 110.229 178.351 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 82' ' ' GLU . . . . . 0.51 ' HG2' ' HD3' ' A' ' 6' ' ' LYS . 29.4 tt0 -102.91 107.42 18.24 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 108.52 -0.918 . . . . 71.23 108.52 176.256 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . 0.574 HG11 ' HB2' ' B' ' 51' ' ' ALA . 30.4 m -110.82 144.14 19.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.932 -0.576 . . . . 71.44 111.373 -170.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 84' ' ' GLY . . . . . . . . . . . . . . . -144.03 156.59 26.77 Favored Glycine 0 N--CA 1.441 -1.002 0 CA-C-N 116.08 -0.509 . . . . 52.45 112.353 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 85' ' ' ILE . . . . . 0.523 HD11 ' CD2' ' B' ' 93' ' ' PHE . 0.0 OUTLIER -121.97 132.44 70.92 Favored 'Isoleucine or valine' 0 C--O 1.242 0.678 0 N-CA-C 108.831 -0.803 . . . . 73.1 108.831 176.596 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 86' ' ' GLY . . . . . 0.416 ' HA2' ' HG ' ' A' ' 4' ' ' LEU . . . -138.91 170.28 24.08 Favored Glycine 0 N--CA 1.453 -0.171 0 N-CA-C 111.028 -0.829 . . . . 52.3 111.028 -179.508 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 87' ' ' PRO . . . . . 0.701 ' HD3' ' HG ' ' A' ' 4' ' ' LEU . 37.1 Cg_endo -85.27 131.68 4.24 Favored 'Trans proline' 0 N--CA 1.452 -0.913 0 C-N-CA 122.465 2.11 . . . . 61.3 112.306 -176.794 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 88' ' ' ASN . . . . . . . . . . . . . 52.1 t-20 -79.13 141.84 36.93 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.381 -0.827 . . . . 72.3 109.319 178.622 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -61.99 -19.76 63.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.979 0.418 . . . . 65.22 110.985 -178.741 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -67.53 -20.98 65.49 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 116.014 -0.539 . . . . 74.05 110.613 176.294 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.27 35.43 3.37 Favored Glycine 0 N--CA 1.451 -0.301 0 CA-C-N 115.842 -0.617 . . . . 72.2 111.737 -177.283 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . -141.0 -145.2 4.55 Favored Glycine 0 N--CA 1.451 -0.325 0 N-CA-C 111.214 -0.755 . . . . 70.13 111.214 179.718 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 93' ' ' PHE . . . . . 0.523 ' CD2' HD11 ' B' ' 85' ' ' ILE . 42.6 m-85 -111.57 163.47 14.04 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.878 0.371 . . . . 73.12 110.497 178.78 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -148.28 126.91 12.48 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.434 -0.803 . . . . 62.21 109.201 178.341 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -98.17 129.47 44.94 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.106 0.479 . . . . 74.21 110.977 -176.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 96' ' ' ASP . . . . . 0.515 ' HB3' HD11 ' A' ' 3' ' ' ILE . 12.3 t70 -122.08 128.67 51.62 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.043 -0.98 . . . . 73.53 109.896 -178.139 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 97' ' ' VAL . . . . . 0.744 ' HB ' HG22 ' B' ' 134' ' ' VAL . 85.7 t -125.03 110.4 24.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 N-CA-C 110.175 -0.306 . . . . 65.34 110.175 177.427 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -94.1 101.99 14.03 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 108.703 -0.851 . . . . 74.42 108.703 177.092 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 17.7 tp -100.43 111.86 24.16 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 115.96 -0.564 . . . . 61.12 110.357 -171.607 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 100' ' ' ARG . . . . . 0.555 ' HA ' ' O ' ' B' ' 137' ' ' VAL . 71.7 mtt85 -98.92 123.03 42.92 Favored 'General case' 0 CA--C 1.52 -0.193 0 CA-C-N 116.139 -0.482 . . . . 64.11 111.288 -176.719 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 101' ' ' VAL . . . . . . . . . . . . . 83.1 t -106.19 108.36 24.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.506 -0.77 . . . . 60.12 110.588 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 102' ' ' ALA . . . . . 0.516 ' HA ' ' HB3' ' B' ' 139' ' ' ALA . . . -104.17 101.13 10.88 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.971 -0.381 . . . . 53.32 109.971 176.458 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 103' ' ' LEU . . . . . 0.583 ' HB3' HD23 ' B' ' 106' ' ' LEU . 0.3 OUTLIER -114.41 114.69 45.15 Favored Pre-proline 0 C--N 1.327 -0.375 0 N-CA-C 108.787 -0.82 . . . . 72.24 108.787 179.824 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 104' ' ' PRO . . . . . 0.436 ' HD2' ' HB ' ' B' ' 77' ' ' THR . 57.2 Cg_endo -70.41 148.92 61.89 Favored 'Trans proline' 0 C--O 1.234 0.285 0 C-N-CA 122.492 2.128 . . . . 74.24 112.438 -179.298 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 105' ' ' GLY . . . . . . . . . . . . . . . 70.71 14.86 73.06 Favored Glycine 0 CA--C 1.517 0.201 0 CA-C-N 115.515 -0.766 . . . . 72.34 112.759 -179.169 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 106' ' ' LEU . . . . . 0.583 HD23 ' HB3' ' B' ' 103' ' ' LEU . 25.1 tp -124.69 137.87 54.33 Favored 'General case' 0 C--O 1.238 0.458 0 CA-C-O 120.985 0.422 . . . . 60.53 110.908 -177.54 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -73.91 143.21 45.85 Favored 'General case' 0 CA--C 1.519 -0.233 0 CA-C-N 115.649 -0.705 . . . . 63.12 110.022 176.504 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 108' ' ' ALA . . . . . 0.536 ' O ' ' HG3' ' B' ' 112' ' ' LYS . . . -62.69 -37.34 86.07 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.966 0.412 . . . . 34.32 110.641 176.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -59.68 -49.7 76.72 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.853 -0.612 . . . . 64.51 110.658 178.525 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 110' ' ' ALA . . . . . 0.564 ' O ' HG22 ' B' ' 113' ' ' THR . . . -66.67 -42.72 86.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.785 -0.643 . . . . 72.03 110.036 178.144 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 111' ' ' ALA . . . . . 0.406 ' O ' HG23 ' B' ' 115' ' ' VAL . . . -55.34 -37.52 67.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.736 -0.666 . . . . 64.14 110.986 -179.719 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 112' ' ' LYS . . . . . 0.536 ' HG3' ' O ' ' B' ' 108' ' ' ALA . 63.6 mttp -52.08 -44.2 64.25 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 116.331 -0.395 . . . . 74.45 111.02 177.813 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 113' ' ' THR . . . . . 0.564 HG22 ' O ' ' B' ' 110' ' ' ALA . 1.9 t -82.06 -36.88 27.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.801 0.334 . . . . 72.03 110.718 -177.18 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 114' ' ' LEU . . . . . 0.487 ' HG ' ' O ' ' B' ' 110' ' ' ALA . 47.3 mt -61.91 -47.43 84.96 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.246 -0.434 . . . . 70.23 110.507 -178.285 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 115' ' ' VAL . . . . . 0.407 HG21 HG12 ' B' ' 138' ' ' VAL . 78.7 t -65.91 -34.23 68.88 Favored 'Isoleucine or valine' 0 C--O 1.237 0.434 0 CA-C-N 115.99 -0.55 . . . . 63.55 110.432 179.485 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -63.92 -57.79 8.71 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 115.911 -0.586 . . . . 75.43 110.452 -179.659 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 117' ' ' ARG . . . . . . . . . . . . . 13.6 ptm180 -64.93 -35.55 81.53 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 115.966 -0.561 . . . . 70.2 110.358 -177.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -59.34 -40.47 86.47 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.052 -0.522 . . . . 61.11 109.674 174.738 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 119' ' ' HIS . . . . . 0.551 ' HB3' ' HD2' ' B' ' 129' ' ' ARG . 15.5 m80 -73.67 1.24 10.66 Favored 'General case' 0 N--CA 1.455 -0.201 0 CA-C-N 115.904 -0.589 . . . . 74.31 112.322 178.038 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -108.55 -33.52 7.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.849 0.357 . . . . 61.52 110.479 176.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 34.8 m -94.4 -39.34 10.26 Favored 'Isoleucine or valine' 0 C--O 1.234 0.286 0 N-CA-C 112.071 0.397 . . . . 63.42 112.071 -176.097 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 122' ' ' CYS . . . . . 0.405 ' HA ' ' HD3' ' B' ' 123' ' ' PRO . 68.8 m -76.92 140.75 67.17 Favored Pre-proline 0 C--O 1.238 0.448 0 CA-C-O 120.4 0.143 . . . . 74.53 111.039 -176.536 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 123' ' ' PRO . . . . . 0.52 ' HA ' HD21 ' A' ' 131' ' ' ASN . 48.2 Cg_exo -56.75 162.43 8.64 Favored 'Trans proline' 0 C--N 1.353 0.811 0 C-N-CA 122.809 2.339 . . . . 65.25 111.727 176.526 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 124' ' ' TYR . . . . . . . . . . . . . 79.4 m-85 . . . . . 0 N--CA 1.473 0.675 0 C-N-CA 123.449 0.7 . . . . 65.35 110.531 -177.473 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 128' ' ' THR . . . . . 0.41 ' O ' ' HB ' ' B' ' 132' ' ' VAL . 1.1 t . . . . . 0 C--O 1.223 -0.292 0 N-CA-C 109.751 -0.463 . . . . 55.14 109.751 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 129' ' ' ARG . . . . . 0.551 ' HD2' ' HB3' ' B' ' 119' ' ' HIS . 12.3 ptm180 -105.48 -47.96 3.8 Favored 'General case' 0 N--CA 1.455 -0.198 0 N-CA-C 109.512 -0.551 . . . . 75.21 109.512 -175.878 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 130' ' ' ASN . . . . . . . . . . . . . 63.6 m-80 -78.97 -21.36 47.23 Favored 'General case' 0 N--CA 1.455 -0.188 0 CA-C-N 116.111 -0.495 . . . . 74.14 111.078 178.162 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 131' ' ' ASN . . . . . 0.511 ' HB2' ' HB2' ' A' ' 126' ' ' ASN . 6.6 t30 -100.97 -43.99 5.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 75.43 110.879 -177.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 132' ' ' VAL . . . . . 0.413 HG12 ' N ' ' B' ' 133' ' ' ALA . 13.4 t -112.09 161.75 10.54 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.279 0 CA-C-N 116.073 -0.512 . . . . 52.13 110.192 -174.186 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 133' ' ' ALA . . . . . 0.413 ' N ' HG12 ' B' ' 132' ' ' VAL . . . -91.68 81.33 5.28 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.92 0.866 . . . . 72.23 110.223 177.57 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 134' ' ' VAL . . . . . 0.744 HG22 ' HB ' ' B' ' 97' ' ' VAL . 97.2 t -103.61 112.17 36.07 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.723 0 CA-C-N 114.66 -1.155 . . . . 61.1 110.428 178.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 24.6 mmm180 -78.55 108.15 11.74 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.741 -0.663 . . . . 74.32 109.316 174.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 75.3 mt -78.19 122.2 25.35 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.859 -0.61 . . . . 72.41 110.454 179.361 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 137' ' ' VAL . . . . . 0.555 ' O ' ' HA ' ' B' ' 100' ' ' ARG . 0.3 OUTLIER -132.16 116.87 30.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.448 -0.796 . . . . 72.22 110.127 -179.546 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 138' ' ' VAL . . . . . 0.407 HG12 HG21 ' B' ' 115' ' ' VAL . 3.6 m -94.61 138.55 20.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.583 -0.735 . . . . 70.52 109.6 179.747 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 139' ' ' ALA . . . . . 0.516 ' HB3' ' HA ' ' B' ' 102' ' ' ALA . . . . . . . . 0 C--O 1.251 1.159 0 CA-C-O 118.47 -0.776 . . . . 71.35 110.771 -175.696 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.457 ' SD ' ' HB2' ' B' ' 96' ' ' ASP . 25.4 ptm . . . . . 0 N--CA 1.486 1.335 0 CA-C-O 120.994 0.426 . . . . 71.43 110.663 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . 0.456 ' O ' ' HA3' ' B' ' 86' ' ' GLY . 41.2 t30 -89.36 84.43 6.45 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.65 -0.705 . . . . 75.52 109.584 -178.609 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.53 HG21 ' HB2' ' A' ' 6' ' ' LYS . 28.4 mm -75.33 133.64 30.96 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-N 115.944 -0.571 . . . . 51.02 112.131 -179.385 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.803 ' HG ' ' HD3' ' B' ' 87' ' ' PRO . 87.2 mt -91.75 -44.5 8.95 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 114.959 -1.019 . . . . 74.21 109.657 171.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 22.5 t80 -138.94 126.57 21.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.651 -0.704 . . . . 54.43 110.098 -176.092 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.53 ' HB2' HG21 ' A' ' 3' ' ' ILE . 30.5 ttmt -140.21 133.88 30.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.912 0.387 . . . . 62.42 110.408 176.522 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.527 HG23 ' OE1' ' B' ' 48' ' ' GLN . 11.1 t -131.02 167.18 19.49 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.657 -0.702 . . . . 73.02 109.545 177.178 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.459 ' HA ' ' HA ' ' B' ' 82' ' ' GLU . . . -135.78 149.67 49.21 Favored 'General case' 0 C--O 1.238 0.452 0 CA-C-O 121.288 0.566 . . . . 64.34 111.624 -174.336 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.428 ' CB ' ' HA ' ' A' ' 21' ' ' SER . . . -140.46 139.69 35.22 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.807 -0.633 . . . . 65.14 110.447 176.674 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 8.8 t -103.04 131.14 50.24 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.606 -0.516 . . . . 73.43 109.606 176.58 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 29.4 t -122.67 113.45 19.24 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.118 0.485 . . . . 71.32 110.718 -178.372 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.508 ' HB ' ' HB3' ' A' ' 18' ' ' ARG . 6.0 m -91.78 166.91 12.52 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.945 -0.571 . . . . 72.12 109.614 177.005 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -82.73 14.1 38.63 Favored Glycine 0 CA--C 1.523 0.584 0 C-N-CA 120.851 -0.69 . . . . 62.44 112.501 175.63 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.409 ' CA ' ' HB2' ' A' ' 18' ' ' ARG . . . 30.34 -129.63 0.14 Allowed Glycine 0 C--N 1.344 0.983 0 O-C-N 123.86 0.388 . . . . 62.02 112.889 -174.649 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 6.2 tmm_? -88.82 -36.2 16.18 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 107.488 -1.301 . . . . 73.04 107.488 163.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -126.07 -42.42 1.87 Allowed 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 115.951 -0.568 . . . . 74.22 110.858 170.332 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.432 ' O ' ' HG3' ' A' ' 29' ' ' LYS . . . -159.45 153.57 24.62 Favored Glycine 0 C--N 1.349 1.292 0 C-N-CA 120.763 -0.732 . . . . 73.12 111.565 169.051 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.516 ' HA ' ' HA ' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -150.0 128.55 12.28 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.599 -0.519 . . . . 73.24 109.599 -176.316 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -133.21 133.2 42.44 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 117.843 0.292 . . . . 71.12 111.302 -178.429 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.407 HG23 ' O ' ' A' ' 26' ' ' LEU . 56.2 m -142.8 118.84 10.68 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.382 -0.372 . . . . 63.53 110.676 -178.777 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.439 ' CB ' ' HB3' ' A' ' 26' ' ' LEU . 28.4 t -81.53 118.63 22.9 Favored 'General case' 0 C--O 1.249 1.045 0 N-CA-C 108.857 -0.794 . . . . 62.3 108.857 175.864 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.449 ' C ' ' H ' ' A' ' 24' ' ' GLN . 13.2 t60 -50.9 -27.66 8.01 Favored 'General case' 0 N--CA 1.469 0.503 0 O-C-N 126.029 2.08 . . . . 71.44 113.219 -165.4 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.411 ' HB2' ' HE3' ' A' ' 25' ' ' LYS . 4.0 m-20 -80.02 22.15 0.53 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.957 0.408 . . . . 73.43 109.942 -176.452 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.449 ' H ' ' C ' ' A' ' 22' ' ' HIS . 29.0 mm-40 60.57 20.66 10.5 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 115.436 -0.802 . . . . 72.53 109.704 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.411 ' HE3' ' HB2' ' A' ' 23' ' ' ASP . 9.2 ptpp? -93.4 -20.4 20.36 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 116.015 -0.539 . . . . 73.44 109.869 -176.538 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.439 ' HB3' ' CB ' ' A' ' 21' ' ' SER . 61.3 tp -141.34 140.7 33.81 Favored 'General case' 0 C--N 1.342 0.273 0 C-N-CA 120.275 -0.57 . . . . 74.42 110.286 174.658 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -161.77 96.46 1.03 Allowed 'General case' 0 C--N 1.331 -0.234 0 O-C-N 123.528 0.517 . . . . 74.13 109.959 176.296 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 2.9 m -146.24 178.28 1.22 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.417 0 CA-C-O 121.304 0.574 . . . . 62.12 111.817 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.516 ' HA ' ' HA ' ' A' ' 18' ' ' ARG . 45.6 tttt -142.46 141.17 32.13 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 114.848 -1.069 . . . . 62.42 109.554 179.652 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.574 ' N ' HD13 ' A' ' 30' ' ' LEU . 0.0 OUTLIER -132.98 175.03 9.73 Favored 'General case' 0 C--O 1.258 1.527 0 CA-C-O 121.277 0.56 . . . . 64.12 112.079 -178.206 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.444 ' HB2' ' HB3' ' A' ' 41' ' ' ALA . 51.1 m -155.48 154.01 31.16 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 114.675 -1.148 . . . . 75.34 111.276 -179.177 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -75.01 147.85 83.99 Favored Pre-proline 0 CA--C 1.54 0.58 0 CA-C-N 116.059 -0.519 . . . . 52.21 111.603 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -61.82 141.68 90.95 Favored 'Trans proline' 0 C--N 1.356 0.925 0 C-N-CA 122.955 2.437 . . . . 73.33 112.298 -178.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.547 ' HB2' ' HA3' ' A' ' 40' ' ' GLY . 9.0 tpt180 -71.06 -35.59 71.98 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.226 -0.443 . . . . 50.12 111.608 -176.411 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -57.59 -24.81 58.36 Favored 'General case' 0 N--CA 1.466 0.348 0 N-CA-C 112.942 0.719 . . . . 75.14 112.942 -170.397 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.453 HD22 ' N ' ' A' ' 36' ' ' LEU . 1.2 mm? -99.73 19.88 15.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.978 0.418 . . . . 63.44 110.321 -179.096 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 86.33 30.28 22.62 Favored Glycine 0 N--CA 1.452 -0.272 0 CA-C-N 115.989 -0.551 . . . . 72.22 111.914 -176.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -98.91 -133.12 7.94 Favored Glycine 0 N--CA 1.453 -0.216 0 C-N-CA 121.314 -0.47 . . . . 73.44 112.398 -178.339 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -119.67 -26.93 5.59 Favored 'General case' 0 N--CA 1.465 0.307 0 N-CA-C 112.214 0.45 . . . . 63.22 112.214 -175.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.547 ' HA3' ' HB2' ' A' ' 34' ' ' ARG . . . 50.15 40.46 36.68 Favored Glycine 0 N--CA 1.461 0.358 0 C-N-CA 121.613 -0.327 . . . . 45.53 113.421 -173.212 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.444 ' HB3' ' HB2' ' A' ' 31' ' ' SER . . . -72.47 167.96 19.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.654 0.264 . . . . 44.21 110.658 179.432 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -83.47 37.98 0.6 Allowed 'General case' 0 CA--C 1.534 0.34 0 CA-C-O 121.25 0.548 . . . . 71.23 111.35 -177.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -106.49 -136.46 8.33 Favored Glycine 0 N--CA 1.452 -0.269 0 N-CA-C 111.071 -0.812 . . . . 55.55 111.071 177.099 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.485 ' OG1' ' HB3' ' A' ' 30' ' ' LEU . 82.2 p -129.53 167.48 17.83 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.783 -0.451 . . . . 74.01 109.783 176.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 11.9 m120 -100.91 138.53 20.05 Favored Pre-proline 0 C--N 1.328 -0.343 0 N-CA-C 109.876 -0.416 . . . . 72.33 109.876 179.551 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -55.66 -47.71 24.01 Favored 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 122.855 2.37 . . . . 63.04 112.435 -178.356 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.2 mp0 -63.6 -38.63 91.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.887 -0.597 . . . . 62.13 110.249 -179.468 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -66.75 -37.78 85.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.568 -0.742 . . . . 72.35 109.648 178.15 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.561 HD12 ' HA3' ' B' ' 53' ' ' GLY . 2.2 tm? -64.56 -49.53 70.85 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 115.809 -0.632 . . . . 71.11 109.586 -179.828 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 35.6 t80 -60.48 -45.07 95.08 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 116.235 -0.439 . . . . 64.45 110.383 177.121 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.41 ' HB2' HG11 ' A' ' 83' ' ' VAL . . . -51.97 -53.02 46.31 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.233 -0.44 . . . . 52.03 111.229 177.008 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.59 ' HB1' ' HB1' ' B' ' 19' ' ' ALA . . . -65.74 -46.3 79.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.78 -0.645 . . . . 51.43 111.186 -178.095 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.466 ' HA3' HD12 ' B' ' 49' ' ' LEU . . . -64.42 -39.83 97.25 Favored Glycine 0 C--O 1.225 -0.409 0 CA-C-N 115.826 -0.624 . . . . 45.35 112.362 -178.591 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -69.21 -47.53 64.58 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 122.702 0.401 . . . . 71.4 110.534 -179.276 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 27.8 p -60.21 -48.88 79.84 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.806 0.336 . . . . 50.31 110.227 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.467 ' HB1' HD21 ' B' ' 30' ' ' LEU . . . -61.58 -41.47 97.45 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.023 -0.535 . . . . 72.41 110.677 176.576 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 52.9 t -62.95 -36.26 82.88 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 115.977 -0.556 . . . . 74.4 110.356 179.311 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.487 ' HE2' ' HA ' ' A' ' 123' ' ' PRO . 27.5 t80 -67.64 -30.64 70.25 Favored 'General case' 0 N--CA 1.454 -0.225 0 CA-C-N 116.113 -0.494 . . . . 64.12 109.681 -178.069 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.461 HD21 HG23 ' A' ' 79' ' ' VAL . 96.1 mt -65.62 -51.43 59.71 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.905 -0.588 . . . . 74.12 109.768 175.2 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 15.5 m -57.79 -40.92 81.04 Favored 'General case' 0 C--O 1.237 0.418 0 CA-C-O 121.306 0.574 . . . . 74.4 110.401 176.717 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.401 ' O ' HG23 ' A' ' 65' ' ' VAL . . . -61.48 -47.0 87.65 Favored 'General case' 0 C--O 1.223 -0.342 0 CA-C-N 115.699 -0.682 . . . . 64.15 110.054 177.623 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.94 -38.54 86.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.479 -0.328 . . . . 61.32 110.637 177.685 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 28.9 tptp -58.72 -50.95 72.02 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-N 115.964 -0.562 . . . . 62.32 110.312 178.285 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.419 ' CZ ' ' HE1' ' B' ' 93' ' ' PHE . 51.6 t80 -69.79 -46.39 65.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.898 -0.592 . . . . 70.35 111.115 -178.394 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.401 HG23 ' O ' ' A' ' 61' ' ' ALA . 42.0 t -55.22 -44.53 75.33 Favored 'Isoleucine or valine' 0 C--O 1.238 0.451 0 CA-C-N 116.288 -0.415 . . . . 51.41 110.757 179.453 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.404 ' HA ' ' HG3' ' A' ' 71' ' ' GLN . . . -57.34 -31.9 66.19 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.143 -0.481 . . . . 55.45 110.224 177.741 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -72.79 -29.52 65.17 Favored Glycine 0 N--CA 1.452 -0.268 0 CA-C-N 115.488 -0.778 . . . . 65.01 112.521 -178.152 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -96.86 -11.67 24.51 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.286 0.565 . . . . 73.33 109.555 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 16.7 m-80 -100.98 3.83 41.93 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.276 -0.874 . . . . 73.35 110.518 175.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 34.4 mmtt 60.8 23.99 13.93 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 115.196 -0.911 . . . . 70.5 111.041 172.284 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.404 ' HG3' ' HA ' ' A' ' 66' ' ' ALA . 4.8 pt20 -116.63 167.36 11.15 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.863 -0.608 . . . . 65.11 110.349 -178.602 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 15.7 p -131.51 124.72 30.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.831 0.348 . . . . 71.13 111.104 -179.401 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -109.55 140.45 22.14 Favored Pre-proline 0 C--N 1.324 -0.528 0 CA-C-N 115.636 -0.711 . . . . 63.13 110.144 177.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.426 ' HG2' ' O ' ' A' ' 104' ' ' PRO . 48.7 Cg_exo -57.47 126.76 22.95 Favored 'Trans proline' 0 C--N 1.348 0.537 0 C-N-CA 122.817 2.344 . . . . 75.32 112.441 -177.295 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -77.29 -1.78 31.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.225 0.536 . . . . 74.43 111.334 -179.331 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -85.76 14.61 5.66 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 121.607 0.717 . . . . 72.44 110.652 -178.72 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.495 ' HB ' HD23 ' A' ' 103' ' ' LEU . 6.8 t -88.62 168.28 12.67 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-N 115.692 -0.686 . . . . 73.42 112.111 -174.481 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 32.0 m -153.0 149.8 28.55 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 115.411 -0.813 . . . . 65.01 109.631 179.733 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.461 HG23 HD21 ' A' ' 59' ' ' LEU . 69.8 t -128.6 118.94 48.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 121.133 0.492 . . . . 73.54 109.945 176.04 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.502 ' HA ' ' HA ' ' B' ' 10' ' ' THR . 9.1 m -98.82 108.63 21.37 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 116.29 -0.414 . . . . 61.0 110.309 179.734 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -93.61 106.7 18.65 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.935 -0.575 . . . . 75.0 109.828 178.024 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.48 ' HG2' ' HD3' ' B' ' 6' ' ' LYS . 32.5 tt0 -109.84 108.71 19.12 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.401 -0.592 . . . . 74.0 109.401 -178.849 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.452 HG12 HG22 ' A' ' 97' ' ' VAL . 22.3 m -104.66 144.53 14.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 121.107 0.48 . . . . 74.25 111.229 -174.03 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -139.79 164.01 26.13 Favored Glycine 0 N--CA 1.441 -0.974 0 CA-C-N 115.51 -0.768 . . . . 64.22 111.762 179.531 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.43 HD11 ' CD2' ' A' ' 93' ' ' PHE . 0.0 OUTLIER -139.39 130.52 33.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 N-CA-C 109.272 -0.64 . . . . 71.32 109.272 -179.699 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . 0.445 ' HA2' ' HG ' ' B' ' 4' ' ' LEU . . . -144.19 169.89 26.15 Favored Glycine 0 CA--C 1.516 0.145 0 CA-C-N 115.398 -0.819 . . . . 64.2 111.119 179.058 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.686 ' HD3' ' HG ' ' B' ' 4' ' ' LEU . 88.3 Cg_endo -81.84 141.84 12.28 Favored 'Trans proline' 0 N--CA 1.458 -0.564 0 C-N-CA 122.249 1.966 . . . . 75.13 111.752 -179.075 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . 0.496 ' HB3' ' HB2' ' A' ' 94' ' ' ALA . 31.0 p30 -101.16 165.66 11.18 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.324 -0.398 . . . . 63.43 110.224 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -68.41 -13.1 62.06 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 116.493 -0.322 . . . . 74.31 111.416 -176.714 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -73.72 -24.84 59.97 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-O 121.05 0.452 . . . . 62.35 110.258 175.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.14 17.26 16.45 Favored Glycine 0 C--N 1.33 0.208 0 CA-C-N 115.855 -0.611 . . . . 52.42 112.192 -179.567 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -121.34 -152.18 8.71 Favored Glycine 0 N--CA 1.45 -0.43 0 N-CA-C 111.225 -0.75 . . . . 74.12 111.225 177.516 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.43 ' CD2' HD11 ' A' ' 85' ' ' ILE . 39.5 m-85 -104.47 157.34 17.22 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.934 0.397 . . . . 72.25 110.64 179.268 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.496 ' HB2' ' HB3' ' A' ' 88' ' ' ASN . . . -143.21 135.07 26.74 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.789 -0.641 . . . . 73.43 109.38 177.789 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -100.72 137.5 39.03 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.108 0.48 . . . . 75.45 111.251 -175.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -121.37 115.32 22.7 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.095 -0.957 . . . . 62.1 109.255 178.507 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.452 HG22 HG12 ' A' ' 83' ' ' VAL . 49.6 t -115.29 110.71 32.89 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 CA-C-O 120.889 0.376 . . . . 41.42 110.665 -178.33 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.433 ' HG2' ' HE ' ' A' ' 135' ' ' ARG . 47.2 mt-10 -93.42 111.19 22.78 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.812 -0.44 . . . . 51.52 109.812 176.751 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 72.4 mt -97.76 106.4 18.7 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.279 -0.637 . . . . 73.33 109.279 175.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.534 ' HA ' ' O ' ' A' ' 137' ' ' VAL . 71.2 mtt180 -101.6 109.78 21.65 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.047 -0.524 . . . . 73.43 110.019 -177.277 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 39.1 t -99.44 100.06 9.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 116.196 -0.456 . . . . 72.23 110.314 -174.22 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -91.65 101.34 13.97 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.555 -0.535 . . . . 73.1 109.555 179.481 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.495 HD23 ' HB ' ' A' ' 77' ' ' THR . 7.1 mt -114.02 118.94 41.73 Favored Pre-proline 0 C--N 1.327 -0.411 0 CA-C-N 115.33 -0.85 . . . . 73.31 110.322 -176.529 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . 0.426 ' O ' ' HG2' ' A' ' 74' ' ' PRO . 84.4 Cg_endo -80.26 155.44 22.22 Favored 'Trans proline' 0 N--CA 1.458 -0.596 0 C-N-CA 122.73 2.287 . . . . 73.52 111.986 179.743 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 64.57 15.17 59.13 Favored Glycine 0 CA--C 1.523 0.55 0 CA-C-N 115.809 -0.632 . . . . 54.45 112.819 -179.464 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.467 HD21 ' HA ' ' A' ' 111' ' ' ALA . 28.1 tp -129.49 140.7 51.2 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 122.797 0.439 . . . . 65.03 110.286 -176.732 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -73.98 162.54 28.94 Favored 'General case' 0 CA--C 1.51 -0.579 0 CA-C-N 116.346 -0.388 . . . . 72.42 111.058 -179.752 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -65.43 -45.51 83.56 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.532 -0.758 . . . . 74.35 110.042 170.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -63.43 -48.88 75.95 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 115.664 -0.698 . . . . 64.13 110.842 -176.113 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 0.585 ' O ' HG22 ' A' ' 113' ' ' THR . . . -67.28 -43.76 81.01 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.638 -0.71 . . . . 73.25 109.781 179.646 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . 0.467 ' HA ' HD21 ' A' ' 106' ' ' LEU . . . -54.61 -42.73 71.49 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 115.998 -0.546 . . . . 54.13 111.382 178.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 12.3 mmmm -53.42 -48.99 68.23 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 116.345 -0.389 . . . . 74.23 110.953 177.359 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . 0.585 HG22 ' O ' ' A' ' 110' ' ' ALA . 1.0 OUTLIER -72.38 -33.42 67.2 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.153 -0.476 . . . . 74.22 110.878 -176.018 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.547 ' HG ' ' O ' ' A' ' 110' ' ' ALA . 43.8 mt -67.93 -48.73 65.12 Favored 'General case' 0 N--CA 1.462 0.139 0 CA-C-N 116.437 -0.347 . . . . 61.01 110.612 -179.212 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.419 HG21 HG12 ' A' ' 138' ' ' VAL . 97.6 t -62.34 -37.05 77.7 Favored 'Isoleucine or valine' 0 C--O 1.242 0.684 0 CA-C-O 120.931 0.396 . . . . 72.22 110.116 177.739 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -59.05 -61.0 2.97 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 115.382 -0.826 . . . . 63.5 110.715 179.275 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 1.7 ptm180 -64.42 -35.33 80.55 Favored 'General case' 0 N--CA 1.456 -0.137 0 CA-C-N 116.02 -0.536 . . . . 65.24 110.549 -176.443 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -58.3 -48.91 78.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.043 -0.526 . . . . 63.41 110.497 177.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 63.7 m80 -76.16 -11.44 59.93 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 116.283 -0.417 . . . . 74.13 111.232 178.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 19.2 t-80 -87.32 -32.91 19.4 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.195 -0.457 . . . . 75.14 110.864 179.372 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.449 HG23 ' N ' ' A' ' 122' ' ' CYS . 28.0 m -89.99 -52.76 10.19 Favored 'Isoleucine or valine' 0 C--O 1.234 0.264 0 CA-C-N 116.607 -0.269 . . . . 74.54 111.342 -178.64 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' CYS . . . . . 0.449 ' N ' HG23 ' A' ' 121' ' ' VAL . 11.8 p -156.62 88.72 2.73 Favored Pre-proline 0 CA--C 1.533 0.325 0 O-C-N 122.306 -0.246 . . . . 72.12 111.63 -178.799 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' PRO . . . . . 0.487 ' HA ' ' HE2' ' A' ' 58' ' ' PHE . 73.2 Cg_endo -80.98 -53.81 0.04 OUTLIER 'Trans proline' 0 CA--C 1.537 0.631 0 C-N-CA 122.328 2.019 . . . . 74.45 112.022 173.845 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' TYR . . . . . 0.443 ' HD2' ' HA ' ' A' ' 124' ' ' TYR . 0.4 OUTLIER 177.04 -41.73 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.265 0 N-CA-C 106.662 -1.607 . . . . 65.44 106.662 178.396 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . 0.597 ' O ' HG22 ' A' ' 128' ' ' THR . 57.4 p -159.44 144.91 15.85 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 114.042 -1.435 . . . . 62.44 107.977 168.437 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 66.5 t30 -60.55 -31.8 70.89 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.604 0.716 . . . . 73.42 109.836 -179.324 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . 0.642 ' O ' ' HB3' ' A' ' 131' ' ' ASN . . . -81.25 6.7 13.29 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.033 -0.985 . . . . 54.1 112.066 -178.872 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' THR . . . . . 0.597 HG22 ' O ' ' A' ' 125' ' ' SER . 1.7 t -96.06 -11.22 26.72 Favored 'General case' 0 N--CA 1.465 0.276 0 N-CA-C 108.841 -0.8 . . . . 73.21 108.841 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . 0.424 HH11 ' HD2' ' A' ' 129' ' ' ARG . 14.4 ptt180 -119.88 -40.96 2.69 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 115.283 -0.871 . . . . 72.04 110.873 -176.653 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 130' ' ' ASN . . . . . 0.419 ' N ' ' HG3' ' A' ' 129' ' ' ARG . 53.0 m-80 -78.2 -52.36 8.8 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 121.159 0.504 . . . . 71.52 110.652 177.646 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 131' ' ' ASN . . . . . 0.642 ' HB3' ' O ' ' A' ' 127' ' ' ALA . 60.1 t30 -68.42 -43.83 76.3 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 115.665 -0.698 . . . . 72.12 110.763 -177.777 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 29.5 t -97.12 133.21 39.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.803 -0.635 . . . . 70.22 110.108 -178.131 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -71.5 90.66 1.0 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.459 0.647 . . . . 45.42 110.85 -178.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 48.4 t -110.82 112.29 39.9 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.589 0 CA-C-N 115.181 -0.918 . . . . 75.02 110.678 178.546 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . 0.433 ' HE ' ' HG2' ' A' ' 98' ' ' GLU . 15.4 ttp180 -85.16 109.1 18.04 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.057 -0.974 . . . . 72.41 110.215 178.824 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 73.8 mt -81.11 120.92 25.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.721 -0.672 . . . . 50.04 110.689 178.323 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . 0.534 ' O ' ' HA ' ' A' ' 100' ' ' ARG . 0.1 OUTLIER -132.84 125.38 52.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.434 -0.803 . . . . 74.42 110.016 -178.036 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . 0.419 HG12 HG21 ' A' ' 115' ' ' VAL . 5.4 m -97.7 139.19 20.52 Favored 'Isoleucine or valine' 0 C--O 1.236 0.372 0 CA-C-O 121.455 0.645 . . . . 53.11 110.854 -178.275 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.314 -0.942 0 CA-C-N 115.169 -0.923 . . . . 73.13 110.788 -174.863 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . 0.521 ' HE3' HD13 ' B' ' 3' ' ' ILE . 17.3 ptt? . . . . . 0 C--O 1.234 0.266 0 CA-C-O 120.778 0.323 . . . . 72.42 110.935 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 65.8 t30 -80.86 73.12 7.87 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-O 121.197 0.522 . . . . 61.35 110.623 -179.634 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . 0.521 HD13 ' HE3' ' B' ' 1' ' ' MET . 31.5 mm -61.14 126.27 18.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.517 -0.765 . . . . 72.42 111.672 176.342 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.686 ' HG ' ' HD3' ' A' ' 87' ' ' PRO . 92.6 mt -79.26 -48.77 13.58 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.63 -0.713 . . . . 75.25 110.377 176.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 5' ' ' TYR . . . . . . . . . . . . . 46.8 t80 -136.19 132.05 35.41 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.263 -0.426 . . . . 75.45 110.067 -176.041 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . 0.48 ' HD3' ' HG2' ' A' ' 82' ' ' GLU . 30.3 ttmt -140.22 134.77 31.58 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.017 0.437 . . . . 65.01 110.961 177.43 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 5.2 t -131.55 155.14 48.0 Favored 'General case' 0 C--O 1.238 0.453 0 CA-C-N 115.457 -0.792 . . . . 72.52 109.239 177.399 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . 0.479 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . . . -121.94 147.53 45.91 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.025 0.441 . . . . 64.22 111.186 -173.698 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -141.76 118.93 11.35 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.812 -0.631 . . . . 31.45 109.473 176.471 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . 0.502 ' HA ' ' HA ' ' A' ' 80' ' ' THR . 9.5 t -96.43 137.91 34.81 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.997 -0.547 . . . . 64.31 109.727 -177.791 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 76.0 p -124.69 113.42 17.96 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.998 0.428 . . . . 74.14 110.39 -178.748 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 4.9 m -98.82 157.6 16.18 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.005 0.431 . . . . 53.42 110.497 -179.053 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -81.72 74.86 2.4 Favored Glycine 0 N--CA 1.447 -0.614 0 N-CA-C 111.055 -0.818 . . . . 71.12 111.055 174.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -55.67 -104.77 0.01 OUTLIER Glycine 0 C--N 1.338 0.663 0 C-N-CA 121.465 -0.398 . . . . 73.4 112.455 179.279 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 15.4 mmm180 -88.98 -50.12 6.37 Favored 'General case' 0 C--N 1.328 -0.333 0 O-C-N 122.355 -0.497 . . . . 65.14 110.089 170.452 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 16' ' ' ASP . . . . . 0.537 ' HB3' ' HA ' ' B' ' 31' ' ' SER . 13.8 t70 -125.76 -42.65 1.9 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.754 -0.657 . . . . 65.33 109.331 176.085 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 17' ' ' GLY . . . . . 0.455 ' O ' ' HG3' ' B' ' 29' ' ' LYS . . . -162.17 154.08 24.94 Favored Glycine 0 C--N 1.339 0.729 0 C-N-CA 120.823 -0.703 . . . . 74.22 111.859 167.288 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 18' ' ' ARG . . . . . 0.638 ' HA ' ' HA ' ' B' ' 29' ' ' LYS . 41.5 ttm180 -132.89 146.9 52.21 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.508 -0.553 . . . . 74.4 109.508 175.336 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 19' ' ' ALA . . . . . 0.59 ' HB1' ' HB1' ' A' ' 52' ' ' ALA . . . -133.28 123.77 26.1 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.746 -0.465 . . . . 64.21 109.746 177.055 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 27.8 m -134.2 114.98 13.65 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.367 -0.379 . . . . 75.11 110.719 -174.354 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 21' ' ' SER . . . . . 0.563 ' HB3' ' N ' ' B' ' 26' ' ' LEU . 34.6 t -71.04 113.05 7.68 Favored 'General case' 0 C--O 1.248 0.996 0 N-CA-C 107.968 -1.123 . . . . 74.21 107.968 176.177 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 22' ' ' HIS . . . . . . . . . . . . . 53.5 t-80 -60.03 -15.91 26.68 Favored 'General case' 0 N--CA 1.471 0.581 0 O-C-N 126.159 2.162 . . . . 73.12 112.459 -167.454 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -80.53 11.59 3.63 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 110.08 -0.341 . . . . 63.54 110.08 175.314 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 31.2 mm-40 67.98 18.07 9.54 Favored 'General case' 0 C--N 1.342 0.261 0 CA-C-N 115.41 -0.814 . . . . 71.43 109.822 -178.63 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 34.1 mmtp -87.92 -20.05 26.47 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 115.224 -0.898 . . . . 41.25 110.92 -178.104 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . 0.563 ' N ' ' HB3' ' B' ' 21' ' ' SER . 54.9 tp -146.97 144.22 29.03 Favored 'General case' 0 CA--C 1.515 -0.381 0 C-N-CA 119.643 -0.823 . . . . 71.52 110.966 176.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -156.83 90.99 1.18 Allowed 'General case' 0 C--N 1.327 -0.38 0 O-C-N 123.591 0.557 . . . . 53.33 109.544 175.088 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 28' ' ' VAL . . . . . 0.415 ' O ' ' HG3' ' B' ' 18' ' ' ARG . 5.8 m -136.03 178.07 5.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.879 -0.6 . . . . 74.12 110.699 -179.191 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.638 ' HA ' ' HA ' ' B' ' 18' ' ' ARG . 7.6 ttpp -142.09 140.14 32.43 Favored 'General case' 0 C--N 1.319 -0.717 0 CA-C-N 115.778 -0.646 . . . . 64.31 110.333 -175.194 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . 0.656 ' HA ' ' H ' ' B' ' 44' ' ' THR . 0.0 OUTLIER -124.05 170.44 10.66 Favored 'General case' 0 C--O 1.248 1.013 0 CA-C-O 121.109 0.48 . . . . 72.32 111.078 179.112 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 31' ' ' SER . . . . . 0.537 ' HA ' ' HB3' ' B' ' 16' ' ' ASP . 50.3 m -152.6 133.58 14.12 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 115.412 -0.813 . . . . 62.35 110.804 -176.187 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.88 141.93 95.09 Favored Pre-proline 0 C--O 1.244 0.763 0 CA-C-N 116.045 -0.525 . . . . 75.13 110.149 176.649 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 33' ' ' PRO . . . . . 0.52 ' HG3' ' ND2' ' B' ' 45' ' ' ASN . 64.5 Cg_exo -51.85 113.51 1.2 Allowed 'Trans proline' 0 C--N 1.348 0.539 0 C-N-CA 122.723 2.282 . . . . 71.3 112.37 -179.223 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 34' ' ' ARG . . . . . 0.584 ' HB2' ' HA3' ' B' ' 40' ' ' GLY . 0.0 OUTLIER -51.6 -32.58 29.31 Favored 'General case' 0 N--CA 1.445 -0.689 0 C-N-CA 123.134 0.574 . . . . 71.43 110.59 177.267 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 7.5 mp0 -52.02 -43.19 63.58 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.559 -0.746 . . . . 72.42 111.219 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 20.1 mt -89.25 -35.69 16.03 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.286 -0.87 . . . . 63.52 110.863 -173.16 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 151.61 38.71 0.03 OUTLIER Glycine 0 C--N 1.33 0.201 0 C-N-CA 121.026 -0.607 . . . . 51.22 112.463 178.506 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -113.17 -137.91 6.95 Favored Glycine 0 N--CA 1.446 -0.681 0 C-N-CA 120.831 -0.7 . . . . 64.12 111.494 -177.789 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 39' ' ' ALA . . . . . 0.462 ' C ' ' HG2' ' B' ' 34' ' ' ARG . . . -119.09 -17.34 8.99 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 111.527 0.195 . . . . 71.25 111.527 -177.631 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 40' ' ' GLY . . . . . 0.584 ' HA3' ' HB2' ' B' ' 34' ' ' ARG . . . 46.36 33.09 5.6 Favored Glycine 0 C--N 1.34 0.779 0 CA-C-O 121.763 0.646 . . . . 53.13 111.514 -174.539 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . 0.413 ' HB3' ' OG ' ' B' ' 31' ' ' SER . . . -83.84 -166.83 1.51 Allowed 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 114.294 -0.953 . . . . 45.11 112.368 -171.718 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -72.28 74.7 0.99 Allowed 'General case' 0 CA--C 1.514 -0.412 0 CA-C-N 114.955 -1.021 . . . . 74.14 110.052 178.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -161.92 -171.91 28.64 Favored Glycine 0 C--N 1.308 -0.974 0 CA-C-N 114.753 -1.112 . . . . 72.12 113.488 178.737 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 44' ' ' THR . . . . . 0.656 ' H ' ' HA ' ' B' ' 30' ' ' LEU . 9.5 t -115.3 171.86 7.43 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 123.072 0.549 . . . . 35.03 109.848 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 45' ' ' ASN . . . . . 0.52 ' ND2' ' HG3' ' B' ' 33' ' ' PRO . 17.1 m120 -74.88 117.5 63.08 Favored Pre-proline 0 C--N 1.33 -0.253 0 N-CA-C 110.184 -0.302 . . . . 71.14 110.184 178.18 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 46' ' ' PRO . . . . . . . . . . . . . 75.7 Cg_exo -51.98 -41.05 66.03 Favored 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 122.572 2.182 . . . . 54.41 111.375 173.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 47' ' ' GLU . . . . . 0.509 ' CD ' ' H ' ' B' ' 47' ' ' GLU . 2.8 mp0 -56.0 -50.84 69.73 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-O 121.74 0.781 . . . . 73.03 109.268 176.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . 0.527 ' OE1' HG23 ' A' ' 7' ' ' THR . 15.7 tp60 -69.04 -30.79 69.21 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 114.76 -1.109 . . . . 65.22 110.68 -177.084 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 49' ' ' LEU . . . . . 0.466 HD12 ' HA3' ' A' ' 53' ' ' GLY . 2.1 tm? -63.45 -53.91 44.75 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.312 -0.625 . . . . 73.15 109.312 179.63 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 40.1 t80 -58.85 -46.08 88.58 Favored 'General case' 0 C--O 1.226 -0.161 0 CA-C-N 116.472 -0.331 . . . . 74.53 110.213 176.307 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . 0.571 ' HB2' HG11 ' B' ' 83' ' ' VAL . . . -53.94 -52.65 59.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.163 -0.471 . . . . 63.22 111.63 -179.825 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -66.21 -46.86 75.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.007 -0.542 . . . . 74.31 110.728 -176.753 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . 0.561 ' HA3' HD12 ' A' ' 49' ' ' LEU . . . -62.73 -34.9 91.01 Favored Glycine 0 C--N 1.333 0.384 0 C-N-CA 121.027 -0.606 . . . . 73.22 111.895 179.26 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -69.91 -41.34 74.8 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 122.683 0.393 . . . . 73.14 110.166 177.705 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 55' ' ' SER . . . . . 0.505 ' OG ' ' HB2' ' B' ' 81' ' ' ALA . 48.9 m -61.89 -49.16 77.3 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.904 -0.406 . . . . 71.55 109.904 177.702 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 56' ' ' ALA . . . . . 0.568 ' HB1' HD21 ' A' ' 30' ' ' LEU . . . -62.52 -39.13 92.54 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.025 -0.534 . . . . 72.32 110.55 177.56 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 57' ' ' CYS . . . . . . . . . . . . . 41.9 t -61.86 -36.47 81.33 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.872 -0.604 . . . . 72.4 109.957 175.476 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 21.9 t80 -62.75 -39.8 95.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.723 -0.671 . . . . 52.32 110.152 -177.764 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -64.52 -41.22 96.53 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 116.058 -0.519 . . . . 64.41 110.444 176.159 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 60' ' ' SER . . . . . 0.441 ' O ' ' HB3' ' B' ' 63' ' ' LYS . 16.5 t -67.33 -42.3 83.83 Favored 'General case' 0 C--O 1.239 0.539 0 CA-C-O 121.25 0.548 . . . . 73.23 110.384 -179.444 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 61' ' ' ALA . . . . . 0.473 ' O ' HG23 ' B' ' 65' ' ' VAL . . . -60.86 -49.23 78.33 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.076 -0.511 . . . . 44.1 110.014 177.293 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 62' ' ' MET . . . . . 0.479 ' HA ' ' HB ' ' B' ' 65' ' ' VAL . 87.0 mmm -66.84 -27.08 67.26 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.225 -0.443 . . . . 71.0 110.599 177.792 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . 0.441 ' HB3' ' O ' ' B' ' 60' ' ' SER . 19.9 tptm -60.41 -48.9 79.77 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.009 -0.737 . . . . 72.03 109.009 175.776 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 47.1 t80 -69.79 -43.72 71.54 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 115.34 -0.846 . . . . 73.11 110.809 177.12 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 65' ' ' VAL . . . . . 0.479 ' HB ' ' HA ' ' B' ' 62' ' ' MET . 40.1 t -56.47 -45.45 81.94 Favored 'Isoleucine or valine' 0 C--O 1.233 0.234 0 CA-C-N 116.06 -0.518 . . . . 75.05 111.032 -178.693 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 66' ' ' ALA . . . . . 0.447 ' HA ' ' HG3' ' B' ' 71' ' ' GLN . . . -59.08 -32.43 69.79 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.239 0.542 . . . . 74.13 110.237 179.098 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -72.56 -25.17 74.83 Favored Glycine 0 N--CA 1.451 -0.323 0 CA-C-N 115.369 -0.832 . . . . 75.04 112.625 -176.643 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -98.97 -21.49 16.22 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 121.053 0.454 . . . . 64.5 109.8 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 18.8 m-80 -93.76 1.01 56.61 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.712 -0.676 . . . . 65.21 111.142 -178.376 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 70' ' ' LYS . . . . . 0.415 ' HD3' ' N ' ' B' ' 70' ' ' LYS . 21.9 mmtm 65.55 24.14 11.78 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 115.624 -0.717 . . . . 73.12 111.13 172.256 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . 0.447 ' HG3' ' HA ' ' B' ' 66' ' ' ALA . 2.8 pt20 -114.17 167.74 10.42 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.616 -0.72 . . . . 74.24 110.374 -179.524 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 21.4 p -128.19 132.22 48.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 74.12 110.939 -176.711 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 73' ' ' LEU . . . . . 0.463 ' HA ' ' HD3' ' B' ' 74' ' ' PRO . 87.1 mt -109.58 139.61 21.34 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 75.15 110.857 -177.608 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 74' ' ' PRO . . . . . 0.463 ' HD3' ' HA ' ' B' ' 73' ' ' LEU . 19.1 Cg_exo -67.47 132.52 27.5 Favored 'Trans proline' 0 C--N 1.349 0.587 0 C-N-CA 122.999 2.466 . . . . 62.01 111.751 176.478 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -76.77 -1.56 28.72 Favored 'General case' 0 N--CA 1.465 0.308 0 N-CA-C 112.063 0.394 . . . . 71.53 112.063 -176.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -92.14 3.95 54.22 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-O 121.358 0.599 . . . . 60.22 110.973 -178.501 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 77' ' ' THR . . . . . 0.6 ' HB ' HD22 ' B' ' 103' ' ' LEU . 5.3 t -72.78 152.56 41.53 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-N 116.185 -0.461 . . . . 73.25 111.426 -177.346 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 2.6 p -140.08 154.17 46.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.791 -0.64 . . . . 71.23 110.889 178.534 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 74.2 t -131.12 119.06 43.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 115.583 -0.735 . . . . 54.24 109.338 175.528 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 80' ' ' THR . . . . . 0.502 ' HB ' ' HB3' ' B' ' 100' ' ' ARG . 4.4 m -98.68 109.72 22.44 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.94 -0.573 . . . . 72.42 110.243 -178.412 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 81' ' ' ALA . . . . . 0.522 ' HB1' ' HB1' ' B' ' 51' ' ' ALA . . . -93.34 104.58 16.73 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.156 -0.475 . . . . 73.43 110.112 178.792 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 82' ' ' GLU . . . . . 0.459 ' HA ' ' HA ' ' A' ' 8' ' ' ALA . 34.3 tt0 -107.31 107.69 18.72 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.195 -0.669 . . . . 71.23 109.195 179.386 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . 0.571 HG11 ' HB2' ' B' ' 51' ' ' ALA . 23.9 m -107.88 141.72 22.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 121.011 0.434 . . . . 71.44 111.322 -173.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 84' ' ' GLY . . . . . 0.449 ' HA2' ' HA ' ' A' ' 6' ' ' LYS . . . -138.38 165.43 25.49 Favored Glycine 0 N--CA 1.441 -1.014 0 CA-C-N 115.699 -0.682 . . . . 52.45 111.586 179.48 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -146.43 136.37 17.53 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.809 0 N-CA-C 109.411 -0.589 . . . . 73.1 109.411 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 86' ' ' GLY . . . . . 0.49 ' HA2' ' HG ' ' A' ' 4' ' ' LEU . . . -148.45 170.02 29.0 Favored Glycine 0 C--N 1.328 0.089 0 O-C-N 123.659 0.6 . . . . 52.3 111.962 -178.548 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 87' ' ' PRO . . . . . 0.803 ' HD3' ' HG ' ' A' ' 4' ' ' LEU . 7.6 Cg_exo -69.86 117.28 5.0 Favored 'Trans proline' 0 N--CA 1.459 -0.511 0 C-N-CA 122.583 2.188 . . . . 61.3 110.766 -178.406 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 88' ' ' ASN . . . . . . . . . . . . . 50.3 t-20 -71.96 137.64 47.47 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 109.069 -0.715 . . . . 72.3 109.069 178.783 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -65.26 -11.56 42.59 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.236 0.541 . . . . 65.22 110.669 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -67.15 -22.11 65.79 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 115.476 -0.783 . . . . 74.05 110.468 171.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.59 34.82 3.46 Favored Glycine 0 C--N 1.329 0.171 0 CA-C-N 115.675 -0.693 . . . . 72.2 112.005 -177.488 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . -151.49 -133.72 2.05 Favored Glycine 0 N--CA 1.452 -0.275 0 N-CA-C 111.275 -0.73 . . . . 70.13 111.275 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 93' ' ' PHE . . . . . 0.419 ' HE1' ' CZ ' ' A' ' 64' ' ' PHE . 39.7 m-85 -127.51 148.04 50.32 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 117.105 0.452 . . . . 73.12 110.394 179.621 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -132.71 136.49 46.44 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.873 -0.603 . . . . 62.21 109.798 -179.35 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -99.82 123.66 44.31 Favored 'General case' 0 C--N 1.331 -0.214 0 O-C-N 123.675 0.61 . . . . 74.21 110.533 -178.74 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 96' ' ' ASP . . . . . 0.457 ' HB2' ' SD ' ' A' ' 1' ' ' MET . 37.2 t70 -110.16 110.28 21.09 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.477 -0.783 . . . . 73.53 109.37 178.685 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 97' ' ' VAL . . . . . 0.833 ' HB ' HG22 ' B' ' 134' ' ' VAL . 57.3 t -112.98 110.8 33.53 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.883 0 CA-C-O 120.577 0.227 . . . . 65.34 111.127 -176.244 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 98' ' ' GLU . . . . . 0.567 ' HG2' ' HB3' ' B' ' 135' ' ' ARG . 43.8 mt-10 -96.5 107.16 19.52 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 110.091 -0.337 . . . . 74.42 110.091 177.314 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 76.9 mt -94.46 108.13 20.07 Favored 'General case' 0 C--O 1.236 0.342 0 CA-C-N 116.244 -0.435 . . . . 61.12 110.091 179.354 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 100' ' ' ARG . . . . . 0.546 ' HA ' ' O ' ' B' ' 137' ' ' VAL . 34.9 ttt-85 -99.46 118.03 35.17 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.736 -0.665 . . . . 64.11 110.149 -176.253 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 101' ' ' VAL . . . . . . . . . . . . . 98.1 t -106.75 109.68 28.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.263 -0.426 . . . . 60.12 111.18 -175.692 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 102' ' ' ALA . . . . . 0.524 ' HA ' ' HB3' ' B' ' 139' ' ' ALA . . . -105.48 101.05 10.6 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.981 0.419 . . . . 53.32 109.961 175.023 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 103' ' ' LEU . . . . . 0.665 ' HB3' HD23 ' B' ' 106' ' ' LEU . 2.7 tm? -111.58 115.12 51.93 Favored Pre-proline 0 C--N 1.328 -0.363 0 N-CA-C 107.971 -1.122 . . . . 72.24 107.971 177.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 104' ' ' PRO . . . . . 0.518 ' HD2' HD22 ' B' ' 103' ' ' LEU . 38.8 Cg_endo -69.19 145.01 59.05 Favored 'Trans proline' 0 N--CA 1.46 -0.443 0 C-N-CA 122.199 1.932 . . . . 74.24 112.856 -174.628 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 105' ' ' GLY . . . . . . . . . . . . . . . 73.82 15.13 79.63 Favored Glycine 0 CA--C 1.519 0.295 0 CA-C-N 115.366 -0.834 . . . . 72.34 112.139 -178.234 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 106' ' ' LEU . . . . . 0.665 HD23 ' HB3' ' B' ' 103' ' ' LEU . 42.8 tp -124.53 140.77 52.63 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-O 120.769 0.319 . . . . 60.53 111.054 -176.728 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -79.24 165.04 23.66 Favored 'General case' 0 CA--C 1.512 -0.483 0 CA-C-N 115.948 -0.569 . . . . 63.12 110.804 -179.505 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 108' ' ' ALA . . . . . 0.568 ' O ' ' HG3' ' B' ' 112' ' ' LYS . . . -65.71 -46.55 78.53 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.876 -0.602 . . . . 34.32 109.437 169.635 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -56.64 -51.19 69.64 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 115.564 -0.744 . . . . 64.51 111.273 -176.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 110' ' ' ALA . . . . . 0.483 ' O ' HG22 ' B' ' 113' ' ' THR . . . -71.51 -42.52 67.9 Favored 'General case' 0 C--O 1.238 0.49 0 CA-C-N 115.957 -0.565 . . . . 72.03 110.4 -179.489 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 111' ' ' ALA . . . . . 0.44 ' HA ' HD21 ' B' ' 106' ' ' LEU . . . -54.59 -37.39 65.48 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.059 -0.519 . . . . 64.14 111.108 178.872 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 112' ' ' LYS . . . . . 0.568 ' HG3' ' O ' ' B' ' 108' ' ' ALA . 29.2 mtpp -53.1 -49.32 66.69 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.483 -0.326 . . . . 74.45 110.947 178.094 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 113' ' ' THR . . . . . 0.483 HG22 ' O ' ' B' ' 110' ' ' ALA . 1.2 t -74.5 -36.22 63.24 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.351 -0.386 . . . . 72.03 110.615 -176.479 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 48.2 mt -65.6 -46.3 79.88 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 120.849 0.356 . . . . 70.23 110.616 -179.231 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 115' ' ' VAL . . . . . 0.421 HG23 ' O ' ' B' ' 111' ' ' ALA . 86.1 t -66.09 -33.65 64.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.023 -0.535 . . . . 63.55 110.146 177.504 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 23.7 t0 -63.18 -56.74 14.16 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 115.93 -0.577 . . . . 75.43 111.047 178.732 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 117' ' ' ARG . . . . . 0.425 ' HG2' ' O ' ' B' ' 113' ' ' THR . 14.7 ptm180 -64.93 -35.02 79.83 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-O 121.178 0.513 . . . . 70.2 110.4 -177.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -61.59 -36.47 80.77 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.674 -0.694 . . . . 61.11 109.818 174.469 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 19.5 m-70 -81.73 13.77 3.01 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 116.061 -0.518 . . . . 74.31 112.137 174.331 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 67.4 m170 -106.66 -50.95 3.02 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-O 120.983 0.421 . . . . 61.52 110.807 174.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 32.0 m -84.81 27.53 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.491 0 N-CA-C 113.504 0.927 . . . . 63.42 113.504 -168.114 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 122' ' ' CYS . . . . . . . . . . . . . 84.7 m -144.26 139.79 16.15 Favored Pre-proline 0 CA--C 1.534 0.362 0 O-C-N 122.221 -0.3 . . . . 74.53 110.776 179.272 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 123' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_endo -61.22 -43.3 29.78 Favored 'Trans proline' 0 C--N 1.352 0.76 0 C-N-CA 122.752 2.301 . . . . 65.25 111.886 -179.487 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 124' ' ' TYR . . . . . . . . . . . . . 55.7 m-85 . . . . . 0 N--CA 1.464 0.256 0 CA-C-O 121.27 0.557 . . . . 65.35 110.395 178.517 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 128' ' ' THR . . . . . 0.449 ' OG1' HG21 ' B' ' 134' ' ' VAL . 1.4 t . . . . . 0 C--O 1.223 -0.33 0 N-CA-C 109.149 -0.685 . . . . 55.14 109.149 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 129' ' ' ARG . . . . . . . . . . . . . 14.8 ptm180 -112.14 -46.62 3.18 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 115.594 -0.73 . . . . 75.21 110.603 -176.007 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 130' ' ' ASN . . . . . . . . . . . . . 53.3 m-80 -78.82 -39.84 34.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.149 0.5 . . . . 74.14 111.322 179.072 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 131' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -94.68 -38.77 10.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.775 -0.648 . . . . 75.43 111.148 -172.371 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 132' ' ' VAL . . . . . . . . . . . . . 47.4 t -112.4 153.84 13.97 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.426 0 CA-C-O 120.723 0.297 . . . . 52.13 111.235 -172.363 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 133' ' ' ALA . . . . . . . . . . . . . . . -84.96 95.2 8.98 Favored 'General case' 0 C--O 1.239 0.5 0 CA-C-O 121.57 0.7 . . . . 72.23 110.937 -179.756 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 134' ' ' VAL . . . . . 0.833 HG22 ' HB ' ' B' ' 97' ' ' VAL . 77.2 t -125.33 113.53 35.73 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.469 0 CA-C-N 115.182 -0.917 . . . . 61.1 111.196 -177.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 135' ' ' ARG . . . . . 0.567 ' HB3' ' HG2' ' B' ' 98' ' ' GLU . 17.4 tpt180 -74.33 110.95 9.04 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.389 -0.823 . . . . 74.32 109.862 175.383 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 40.5 mt -81.62 109.44 16.06 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.05 0.452 . . . . 72.41 110.193 175.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 137' ' ' VAL . . . . . 0.546 ' O ' ' HA ' ' B' ' 100' ' ' ARG . 0.2 OUTLIER -119.53 116.36 50.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.626 -0.715 . . . . 72.22 110.04 -179.006 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 138' ' ' VAL . . . . . . . . . . . . . 4.2 m -99.17 138.62 23.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.999 -0.546 . . . . 70.52 109.635 179.314 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 139' ' ' ALA . . . . . 0.524 ' HB3' ' HA ' ' B' ' 102' ' ' ALA . . . . . . . . 0 C--O 1.251 1.158 0 CA-C-N 115.775 -0.648 . . . . 71.35 110.419 -175.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.406 ' HE3' HD13 ' A' ' 3' ' ' ILE . 19.0 ptt? . . . . . 0 N--CA 1.481 1.105 0 N-CA-C 110.337 -0.246 . . . . 71.43 110.337 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 41.4 t30 -76.36 74.36 3.13 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-O 121.335 0.588 . . . . 75.52 110.436 177.373 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.53 HG21 ' HB2' ' A' ' 6' ' ' LYS . 30.8 mm -70.74 131.7 34.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.48 -0.782 . . . . 51.02 111.114 174.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.709 ' HG ' ' HD3' ' B' ' 87' ' ' PRO . 88.9 mt -86.62 -43.45 12.64 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.931 -0.577 . . . . 74.21 110.122 176.068 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 43.6 t80 -138.31 130.06 28.07 Favored 'General case' 0 C--O 1.222 -0.366 0 CA-C-N 115.934 -0.576 . . . . 54.43 110.112 -177.366 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.53 ' HB2' HG21 ' A' ' 3' ' ' ILE . 28.4 ttmt -143.6 130.7 20.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.772 0.32 . . . . 62.42 111.108 177.456 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 9.3 t -125.46 148.8 48.7 Favored 'General case' 0 C--O 1.238 0.453 0 CA-C-N 115.843 -0.617 . . . . 73.02 109.89 179.281 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.476 ' HA ' ' HA ' ' B' ' 82' ' ' GLU . . . -110.9 155.59 22.41 Favored 'General case' 0 C--O 1.238 0.455 0 CA-C-O 121.237 0.541 . . . . 64.34 112.076 -176.182 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.563 ' HA ' ' HA ' ' A' ' 21' ' ' SER . . . -153.5 116.97 4.65 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.226 -0.897 . . . . 65.14 109.662 176.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.541 ' HA ' ' HA ' ' B' ' 80' ' ' THR . 14.4 t -102.63 142.89 33.04 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.833 -0.432 . . . . 73.43 109.833 -179.249 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.449 ' HA ' ' O ' ' A' ' 18' ' ' ARG . 23.3 p -127.84 113.78 16.37 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.157 0.504 . . . . 71.32 111.057 -177.627 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.432 ' HB ' ' HB3' ' A' ' 18' ' ' ARG . 3.0 m -81.32 157.45 25.08 Favored 'General case' 0 C--O 1.248 0.99 0 CA-C-N 115.927 -0.579 . . . . 72.12 110.717 177.213 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -72.94 73.34 1.03 Allowed Glycine 0 N--CA 1.444 -0.817 0 CA-C-N 115.542 -0.754 . . . . 62.44 112.367 175.57 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -67.64 -169.19 4.38 Favored Glycine 0 C--N 1.332 0.319 0 C-N-CA 120.949 -0.643 . . . . 62.02 111.698 171.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 10.6 mpt_? -51.48 -46.68 63.21 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 116.991 0.395 . . . . 73.04 110.397 178.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.566 ' HB3' ' HA ' ' A' ' 31' ' ' SER . 19.5 t70 -125.8 -43.05 1.87 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.985 -0.552 . . . . 74.22 109.6 173.852 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -163.85 144.89 9.86 Favored Glycine 0 C--N 1.345 1.082 0 C-N-CA 120.136 -1.03 . . . . 73.12 111.957 165.307 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.449 ' O ' ' HA ' ' A' ' 11' ' ' SER . 4.0 tmt_? -123.84 100.65 6.86 Favored 'General case' 0 C--O 1.221 -0.42 0 CA-C-N 117.448 0.624 . . . . 73.24 109.343 179.196 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.44 ' HB1' ' HB1' ' B' ' 52' ' ' ALA . . . -104.33 139.75 38.86 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 121.172 0.51 . . . . 71.12 111.236 -170.271 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.419 ' OG1' ' NH1' ' A' ' 18' ' ' ARG . 24.3 m -149.75 113.23 4.98 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 116.026 -0.534 . . . . 63.53 110.84 -177.869 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.563 ' HA ' ' HA ' ' A' ' 9' ' ' ALA . 47.9 t -69.83 111.31 5.48 Favored 'General case' 0 C--O 1.246 0.889 0 N-CA-C 107.951 -1.129 . . . . 62.3 107.951 177.834 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.41 ' C ' ' H ' ' A' ' 24' ' ' GLN . 57.2 t-80 -55.51 -24.44 31.71 Favored 'General case' 0 C--N 1.347 0.466 0 O-C-N 126.207 2.192 . . . . 71.44 112.835 -166.457 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.413 ' HB2' ' HZ3' ' A' ' 25' ' ' LYS . 14.7 m-20 -80.47 16.92 1.19 Allowed 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.646 -0.501 . . . . 73.43 109.646 178.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.41 ' H ' ' C ' ' A' ' 22' ' ' HIS . 28.2 mm-40 69.27 20.35 7.48 Favored 'General case' 0 CA--C 1.521 -0.155 0 CA-C-N 115.432 -0.804 . . . . 72.53 109.989 177.387 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.413 ' HZ3' ' HB2' ' A' ' 23' ' ' ASP . 26.9 mtmm -86.21 -25.49 25.6 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 115.428 -0.806 . . . . 73.44 111.106 -179.787 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.543 ' N ' ' HB3' ' A' ' 21' ' ' SER . 55.9 tp -145.98 148.16 32.45 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 119.848 -0.741 . . . . 74.42 111.202 -178.422 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -161.32 91.44 0.85 Allowed 'General case' 0 CA--C 1.534 0.338 0 O-C-N 123.734 0.646 . . . . 74.13 109.849 179.702 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.417 HG22 HD11 ' A' ' 26' ' ' LEU . 4.2 m -148.88 178.09 0.79 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.464 0 CA-C-O 121.778 0.799 . . . . 62.12 111.838 178.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -121.7 148.12 45.02 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 114.752 -1.113 . . . . 62.42 109.163 176.136 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.732 ' HA ' ' H ' ' A' ' 44' ' ' THR . 0.0 OUTLIER -127.96 156.07 43.25 Favored 'General case' 0 C--O 1.254 1.333 0 N-CA-C 110.064 -0.347 . . . . 64.12 110.064 173.366 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.566 ' HA ' ' HB3' ' A' ' 16' ' ' ASP . 49.0 m -160.07 140.42 11.76 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 115.227 -0.897 . . . . 75.34 111.257 -175.333 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.33 146.46 88.97 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 115.665 -0.698 . . . . 52.21 109.495 173.555 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_endo -67.04 14.69 0.13 Allowed 'Trans proline' 0 CA--C 1.537 0.673 0 C-N-CA 123.192 2.595 . . . . 73.33 114.712 -169.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.484 ' HA ' ' H ' ' A' ' 38' ' ' GLY . 0.0 OUTLIER 71.8 -37.12 0.38 Allowed 'General case' 0 CA--C 1.539 0.541 0 N-CA-C 112.988 0.736 . . . . 50.12 112.988 177.011 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -48.31 -31.76 6.46 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-O 121.556 0.693 . . . . 75.14 111.495 179.085 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 13.4 mt -108.79 17.71 21.55 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.161 -0.927 . . . . 63.44 110.958 -171.225 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 80.94 54.25 3.68 Favored Glycine 0 CA--C 1.52 0.345 0 C-N-CA 121.03 -0.605 . . . . 72.22 111.606 -176.239 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.484 ' H ' ' HA ' ' A' ' 34' ' ' ARG . . . -83.42 -88.22 0.77 Allowed Glycine 0 C--N 1.332 0.322 0 C-N-CA 121.357 -0.449 . . . . 73.44 112.973 -176.403 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -167.41 -42.93 0.02 OUTLIER 'General case' 0 C--O 1.233 0.219 0 CA-C-O 120.869 0.366 . . . . 63.22 111.2 179.099 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 96.5 64.09 0.93 Allowed Glycine 0 C--O 1.235 0.179 0 N-CA-C 110.614 -0.995 . . . . 45.53 110.614 -176.034 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.458 ' HB3' ' OG ' ' A' ' 31' ' ' SER . . . -136.01 176.65 8.5 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.247 0.546 . . . . 44.21 111.833 -174.669 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -103.04 80.23 1.84 Allowed 'General case' 0 CA--C 1.514 -0.418 0 CA-C-N 115.021 -0.991 . . . . 71.23 109.642 -178.053 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -144.59 -164.93 10.8 Favored Glycine 0 C--N 1.31 -0.908 0 CA-C-N 114.478 -1.237 . . . . 55.55 112.603 -179.722 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.732 ' H ' ' HA ' ' A' ' 30' ' ' LEU . 12.2 t -111.58 150.56 29.86 Favored 'General case' 0 C--O 1.234 0.262 0 N-CA-C 109.057 -0.72 . . . . 74.01 109.057 178.875 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.58 ' HB2' ' HB3' ' A' ' 48' ' ' GLN . 1.5 m-20 -65.92 138.89 96.54 Favored Pre-proline 0 C--N 1.325 -0.492 0 N-CA-C 110.339 -0.245 . . . . 72.33 110.339 -176.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 45' ' ' ASN . 31.4 Cg_exo -59.65 -58.16 0.67 Allowed 'Trans proline' 0 C--N 1.349 0.572 0 C-N-CA 123.039 2.493 . . . . 63.04 112.941 -175.351 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.11 -31.28 72.06 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-O 120.913 0.387 . . . . 62.13 110.299 -177.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.58 ' HB3' ' HB2' ' A' ' 45' ' ' ASN . 34.0 tt0 -63.13 -44.42 95.63 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 115.843 -0.617 . . . . 72.35 110.308 174.289 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.435 HD12 ' HA3' ' B' ' 53' ' ' GLY . 3.4 tm? -61.22 -50.31 73.61 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.308 -0.86 . . . . 71.11 109.805 -179.31 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 39.8 t80 -59.2 -49.4 77.99 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 115.97 -0.559 . . . . 64.45 110.544 178.31 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.452 ' HB2' ' CG1' ' A' ' 83' ' ' VAL . . . -53.41 -53.15 55.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.277 -0.419 . . . . 52.03 111.827 177.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.58 -45.76 90.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 51.43 110.998 -178.452 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.562 ' HA3' HD12 ' B' ' 49' ' ' LEU . . . -65.77 -40.57 95.74 Favored Glycine 0 C--N 1.333 0.399 0 CA-C-N 115.917 -0.583 . . . . 45.35 112.33 -179.576 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -69.73 -39.07 77.03 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 110.111 -0.329 . . . . 71.4 110.111 179.622 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 31.2 t -63.52 -47.71 80.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.072 0.463 . . . . 50.31 109.834 178.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.515 ' HB1' HD21 ' B' ' 30' ' ' LEU . . . -64.27 -44.6 91.22 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.84 -0.618 . . . . 72.41 110.515 178.327 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 42.0 t -60.19 -36.67 78.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.899 -0.591 . . . . 74.4 110.006 177.298 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 33.5 t80 -62.66 -50.13 72.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.529 -0.76 . . . . 64.12 110.747 -177.017 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.53 HD12 ' N ' ' A' ' 60' ' ' SER . 4.5 pp -69.23 -37.65 78.13 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 116.462 -0.335 . . . . 74.12 111.024 -177.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.53 ' N ' HD12 ' A' ' 59' ' ' LEU . 50.1 m -68.58 -38.61 80.81 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-O 120.803 0.335 . . . . 74.4 110.55 177.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.24 -42.28 84.23 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.005 0.431 . . . . 64.15 110.04 178.164 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 4.7 tpt -61.26 -40.83 95.54 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 115.688 -0.687 . . . . 61.32 109.847 177.028 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 48.8 tptt -63.38 -42.67 98.85 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 115.626 -0.716 . . . . 62.32 109.895 177.477 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.408 ' CZ ' ' HE1' ' B' ' 93' ' ' PHE . 87.1 t80 -61.08 -49.18 78.36 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 115.811 -0.631 . . . . 70.35 110.467 177.655 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 54.0 t -53.43 -48.68 57.0 Favored 'Isoleucine or valine' 0 C--O 1.235 0.319 0 CA-C-N 115.946 -0.57 . . . . 51.41 110.433 177.628 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -53.56 -34.79 59.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.908 -0.587 . . . . 55.45 110.493 178.591 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -69.28 -31.66 71.79 Favored Glycine 0 N--CA 1.45 -0.394 0 CA-C-N 115.43 -0.805 . . . . 65.01 112.267 -177.204 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.42 ' HG3' HD22 ' A' ' 69' ' ' ASN . 12.6 pt20 -98.75 -7.32 27.81 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.34 0.591 . . . . 73.33 109.549 -179.126 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.42 HD22 ' HG3' ' A' ' 68' ' ' GLN . 1.1 m-80 -100.95 3.75 41.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.245 -0.888 . . . . 73.35 110.5 176.511 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 33.4 mmtt 65.47 23.6 11.9 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 115.131 -0.94 . . . . 70.5 111.129 170.51 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -119.45 166.87 12.53 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.58 -0.736 . . . . 65.11 110.329 -179.089 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 19.9 p -122.23 128.88 51.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.478 -0.328 . . . . 71.13 111.421 -178.296 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 89.8 mt -109.79 137.97 20.56 Favored Pre-proline 0 C--N 1.326 -0.453 0 CA-C-N 115.945 -0.57 . . . . 63.13 110.526 177.158 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.4 ' O ' HG22 ' A' ' 77' ' ' THR . 45.9 Cg_exo -59.22 142.01 98.65 Favored 'Trans proline' 0 C--N 1.35 0.627 0 C-N-CA 123.276 2.651 . . . . 75.32 113.224 -176.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -77.45 -9.24 58.77 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.522 0.677 . . . . 74.43 110.603 174.438 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -85.21 16.65 3.45 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.127 -0.942 . . . . 72.44 111.255 -176.433 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.435 ' HB ' HD23 ' A' ' 103' ' ' LEU . 7.5 t -95.25 161.0 14.28 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.118 0.485 . . . . 73.42 111.512 -176.472 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 26.3 m -150.68 149.38 29.75 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.808 -0.633 . . . . 65.01 109.819 179.567 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 97.5 t -129.59 121.12 52.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 N-CA-C 109.446 -0.576 . . . . 73.54 109.446 176.252 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 38.8 m -105.38 115.5 30.36 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.659 -0.7 . . . . 61.0 110.787 -177.355 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -102.56 105.22 15.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.757 -0.656 . . . . 75.0 109.7 178.06 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.482 ' HA ' ' HA ' ' B' ' 8' ' ' ALA . 44.0 tt0 -104.79 113.02 26.35 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 110.075 -0.343 . . . . 74.0 110.075 -179.668 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.712 HG12 ' HB ' ' A' ' 97' ' ' VAL . 11.0 m -104.46 137.27 34.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 121.205 0.526 . . . . 74.25 111.695 -176.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.423 ' HA2' ' HA ' ' B' ' 6' ' ' LYS . . . -133.16 160.04 23.78 Favored Glycine 0 N--CA 1.442 -0.947 0 CA-C-N 115.363 -0.835 . . . . 64.22 111.497 174.418 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -143.8 136.64 23.94 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.761 0 N-CA-C 109.178 -0.675 . . . . 71.32 109.178 179.088 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . 0.402 ' HA2' ' HG ' ' B' ' 4' ' ' LEU . . . -153.41 170.01 32.23 Favored Glycine 0 C--O 1.228 -0.22 0 N-CA-C 111.472 -0.651 . . . . 64.2 111.472 -177.723 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.728 ' HD3' ' HG ' ' B' ' 4' ' ' LEU . 3.1 Cg_exo -73.62 135.0 21.18 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.489 2.126 . . . . 75.13 111.385 -178.65 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . 0.525 ' HB2' ' HB2' ' A' ' 94' ' ' ALA . 19.2 t-20 -88.3 149.14 23.95 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.644 -0.502 . . . . 63.43 109.644 178.448 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -63.02 -13.49 36.06 Favored 'General case' 0 N--CA 1.466 0.372 0 O-C-N 123.194 0.309 . . . . 74.31 111.45 -178.167 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -67.16 -24.29 65.87 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-O 121.149 0.5 . . . . 62.35 110.589 174.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.13 34.97 3.53 Favored Glycine 0 CA--C 1.516 0.146 0 CA-C-N 115.822 -0.626 . . . . 52.42 111.799 -175.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -148.31 -144.53 3.99 Favored Glycine 0 C--N 1.33 0.233 0 N-CA-C 111.202 -0.759 . . . . 74.12 111.202 -179.476 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 31.5 m-85 -105.99 164.68 11.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 117.124 0.462 . . . . 72.25 111.045 178.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.525 ' HB2' ' HB2' ' A' ' 88' ' ' ASN . . . -149.29 131.56 15.53 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 108.88 -0.785 . . . . 73.43 108.88 177.548 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -100.17 146.8 26.41 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.128 0.49 . . . . 75.45 111.16 -177.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -137.09 132.03 33.52 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 114.567 -1.197 . . . . 62.1 108.603 -177.356 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.741 HG13 HG22 ' A' ' 134' ' ' VAL . 0.6 OUTLIER -146.77 122.06 2.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 121.475 0.655 . . . . 41.42 111.642 174.883 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -100.06 123.04 43.85 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.212 -0.904 . . . . 51.52 110.023 -179.117 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 73.1 mt -105.46 106.48 17.0 Favored 'General case' 0 C--O 1.233 0.225 0 N-CA-C 109.765 -0.457 . . . . 73.33 109.765 175.452 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.474 ' HA ' HG13 ' A' ' 137' ' ' VAL . 12.5 ttt85 -103.62 107.8 18.81 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.254 -0.885 . . . . 73.43 109.388 -175.822 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 53.3 t -102.5 97.47 5.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 120.627 0.251 . . . . 72.23 110.612 -172.158 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -91.91 101.25 13.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.908 0.385 . . . . 73.1 110.337 -179.322 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.435 HD23 ' HB ' ' A' ' 77' ' ' THR . 3.4 mt -116.42 116.95 38.91 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 115.924 -0.58 . . . . 73.31 110.023 -179.389 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -74.47 149.37 39.28 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.439 2.093 . . . . 73.52 112.38 -179.419 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 68.92 15.11 68.87 Favored Glycine 0 CA--C 1.523 0.59 0 CA-C-N 115.644 -0.707 . . . . 54.45 113.122 -179.635 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.436 HD21 ' HA ' ' A' ' 111' ' ' ALA . 37.3 tp -121.7 141.96 50.64 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 120.75 0.309 . . . . 65.03 111.018 -176.641 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -76.42 164.3 26.12 Favored 'General case' 0 CA--C 1.513 -0.471 0 CA-C-N 116.126 -0.488 . . . . 72.42 110.793 178.777 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.448 ' O ' ' HG3' ' A' ' 112' ' ' LYS . . . -68.63 -45.61 71.41 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.27 -0.877 . . . . 74.35 109.908 170.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -64.36 -42.21 96.32 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 115.4 -0.818 . . . . 64.13 110.906 -175.42 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 0.505 ' O ' HG22 ' A' ' 113' ' ' THR . . . -72.77 -44.12 61.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.725 -0.67 . . . . 73.25 110.009 178.066 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . 0.436 ' HA ' HD21 ' A' ' 106' ' ' LEU . . . -54.76 -40.94 69.88 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.018 -0.537 . . . . 54.13 111.139 179.684 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . 0.448 ' HG3' ' O ' ' A' ' 108' ' ' ALA . 9.9 mtpm? -54.25 -49.35 69.71 Favored 'General case' 0 CA--C 1.529 0.171 0 CA-C-O 120.577 0.227 . . . . 74.23 110.963 178.288 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . 0.505 HG22 ' O ' ' A' ' 110' ' ' ALA . 0.9 OUTLIER -70.08 -34.98 73.85 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 116.556 -0.293 . . . . 74.22 110.306 -176.417 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.47 ' HG ' ' O ' ' A' ' 110' ' ' ALA . 42.3 mt -64.73 -50.08 68.31 Favored 'General case' 0 N--CA 1.46 0.032 0 CA-C-N 116.32 -0.4 . . . . 61.01 110.254 179.33 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.508 HG21 HG12 ' A' ' 138' ' ' VAL . 87.6 t -63.9 -35.14 72.29 Favored 'Isoleucine or valine' 0 C--O 1.238 0.476 0 CA-C-N 116.322 -0.399 . . . . 72.22 110.53 178.304 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -58.66 -61.23 2.76 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 116.148 -0.478 . . . . 63.5 109.949 178.612 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . 0.431 ' HG2' ' O ' ' A' ' 113' ' ' THR . 10.8 ptm180 -64.97 -36.12 83.37 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.144 -0.48 . . . . 65.24 110.637 -177.382 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -57.0 -51.82 67.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.006 -0.543 . . . . 63.41 111.257 179.706 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 10.5 p-80 -77.79 1.4 20.34 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 121.176 -0.209 . . . . 74.13 110.628 -179.288 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 47.7 t-80 -101.25 -35.17 9.36 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.555 -0.293 . . . . 75.14 110.791 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 34.5 m -82.51 -20.81 9.74 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.289 0 CA-C-N 116.389 -0.369 . . . . 74.54 111.01 -178.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 74.0 m -83.98 146.08 48.01 Favored Pre-proline 0 CA--C 1.532 0.282 0 CA-C-N 116.234 -0.439 . . . . 72.12 110.183 178.34 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -53.08 -30.61 50.45 Favored 'Trans proline' 0 C--N 1.353 0.807 0 C-N-CA 122.787 2.325 . . . . 74.45 112.192 179.243 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -81.82 69.66 8.55 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 108.387 -0.968 . . . . 65.44 108.387 177.823 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . 0.556 ' O ' HG22 ' A' ' 128' ' ' THR . 30.8 t -118.53 -81.01 0.62 Allowed 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 116.014 -0.539 . . . . 62.44 111.466 -174.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 33.5 t30 -60.33 -41.85 94.43 Favored 'General case' 0 C--O 1.237 0.434 0 CA-C-O 121.614 0.721 . . . . 73.42 109.941 -177.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -68.38 -13.32 62.2 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 114.953 -1.021 . . . . 54.1 111.756 -179.158 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' THR . . . . . 0.556 HG22 ' O ' ' A' ' 125' ' ' SER . 0.6 OUTLIER -107.95 3.29 24.0 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.243 0.544 . . . . 73.21 110.009 -171.643 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . 0.407 ' HG3' ' N ' ' A' ' 130' ' ' ASN . 14.2 ptm180 -128.22 -59.52 1.17 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.135 -0.484 . . . . 72.04 110.862 179.651 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 130' ' ' ASN . . . . . 0.407 ' N ' ' HG3' ' A' ' 129' ' ' ARG . 88.3 m-20 -79.4 -34.28 41.95 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.86 0.362 . . . . 71.52 111.195 -177.365 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 131' ' ' ASN . . . . . 0.443 HD22 HG23 ' A' ' 132' ' ' VAL . 12.2 t30 -89.64 -37.94 14.27 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 116.193 -0.458 . . . . 72.12 111.36 -176.379 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . 0.443 HG23 HD22 ' A' ' 131' ' ' ASN . 99.3 t -121.29 138.19 52.48 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.42 0 N-CA-C 110.4 -0.222 . . . . 70.22 110.4 -179.275 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -78.52 92.91 4.71 Favored 'General case' 0 C--O 1.24 0.565 0 CA-C-O 121.424 0.631 . . . . 45.42 111.333 -178.176 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . 0.741 HG22 HG13 ' A' ' 97' ' ' VAL . 90.1 t -106.59 130.05 59.06 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.536 0 CA-C-N 115.239 -0.891 . . . . 75.02 110.738 176.816 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 13.8 mmt180 -95.26 102.57 14.39 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 108.596 -0.89 . . . . 72.41 108.596 176.407 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' A' ' 136' ' ' LEU . 40.1 mt -77.81 110.95 13.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.409 0.623 . . . . 50.04 110.547 178.688 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . 0.474 HG13 ' HA ' ' A' ' 100' ' ' ARG . 0.2 OUTLIER -126.37 115.6 42.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 115.079 -0.964 . . . . 74.42 110.086 -178.648 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . 0.508 HG12 HG21 ' A' ' 115' ' ' VAL . 3.4 m -93.3 138.96 19.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.772 -0.649 . . . . 53.11 109.816 179.485 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.315 -0.894 0 CA-C-N 115.971 -0.558 . . . . 73.13 110.807 -175.242 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 27.4 ptm . . . . . 0 C--O 1.235 0.317 0 CA-C-O 121.257 0.551 . . . . 72.42 110.358 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 36.9 t30 -100.48 86.24 3.12 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.264 -0.88 . . . . 61.35 109.527 177.731 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . 0.59 HG21 ' HB2' ' B' ' 6' ' ' LYS . 25.8 mm -66.24 118.67 9.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 115.83 -0.623 . . . . 72.42 111.029 178.711 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.728 ' HG ' ' HD3' ' A' ' 87' ' ' PRO . 90.1 mt -70.61 -44.26 67.63 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.424 -0.807 . . . . 75.25 109.842 177.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 5' ' ' TYR . . . . . . . . . . . . . 29.8 t80 -139.89 129.83 24.82 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.957 -0.565 . . . . 75.45 110.898 -178.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . 0.59 ' HB2' HG21 ' B' ' 3' ' ' ILE . 28.4 ttmt -137.85 130.06 29.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.985 0.421 . . . . 65.01 110.814 174.683 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . 0.439 HG21 ' HB2' ' A' ' 48' ' ' GLN . 9.5 t -128.12 141.36 51.51 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.689 -0.687 . . . . 72.52 109.535 177.201 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . 0.482 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . . . -109.81 135.88 50.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.043 0.449 . . . . 64.22 110.879 -177.459 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -122.62 136.42 54.88 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.33 -0.619 . . . . 31.45 109.33 175.39 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 9.3 t -120.99 121.28 37.64 Favored 'General case' 0 N--CA 1.443 -0.81 0 N-CA-C 108.117 -1.068 . . . . 64.31 108.117 -177.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 70.4 m -119.13 113.47 20.96 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-N 115.559 -0.746 . . . . 74.14 110.661 -171.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 4.4 m -95.86 157.12 16.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 53.42 110.714 -177.535 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -93.09 65.71 1.91 Allowed Glycine 0 N--CA 1.452 -0.29 0 N-CA-C 110.826 -0.91 . . . . 71.12 110.826 174.624 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -56.49 -100.94 0.01 OUTLIER Glycine 0 C--N 1.339 0.702 0 C-N-CA 121.33 -0.462 . . . . 73.4 113.26 -176.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 4.4 mpt_? -88.82 -52.8 4.93 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 122.534 -0.392 . . . . 65.14 110.76 178.504 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 16' ' ' ASP . . . . . 0.491 ' HB2' ' HB3' ' B' ' 41' ' ' ALA . 10.0 t0 -125.84 -43.42 1.85 Allowed 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 121.407 0.623 . . . . 65.33 109.38 178.103 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 17' ' ' GLY . . . . . 0.52 ' O ' ' HG3' ' B' ' 29' ' ' LYS . . . -171.17 159.09 30.86 Favored Glycine 0 C--N 1.335 0.488 0 N-CA-C 110.479 -1.048 . . . . 74.22 110.479 160.337 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 18' ' ' ARG . . . . . 0.491 ' HA ' ' HA ' ' B' ' 29' ' ' LYS . 71.0 ttt180 -141.35 152.62 44.54 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 117.762 0.781 . . . . 74.4 110.524 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -145.82 124.03 12.22 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 116.259 -0.428 . . . . 64.21 110.325 179.509 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 27.9 m -132.73 112.43 11.98 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.329 -0.396 . . . . 75.11 110.433 -177.629 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 21' ' ' SER . . . . . 0.494 ' HB3' ' N ' ' B' ' 26' ' ' LEU . 31.3 t -68.42 108.0 3.09 Favored 'General case' 0 C--O 1.246 0.875 0 N-CA-C 107.47 -1.307 . . . . 74.21 107.47 175.38 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 22' ' ' HIS . . . . . . . . . . . . . 84.7 t60 -61.26 -14.88 29.53 Favored 'General case' 0 N--CA 1.468 0.431 0 O-C-N 125.626 1.829 . . . . 73.12 112.363 -166.493 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . 0.498 ' HB2' ' HG2' ' B' ' 25' ' ' LYS . 2.2 m-20 -80.19 12.38 2.91 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.465 -0.569 . . . . 63.54 109.465 176.559 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 29.5 mm-40 67.9 24.13 8.14 Favored 'General case' 0 CA--C 1.519 -0.247 0 CA-C-N 115.137 -0.938 . . . . 71.43 109.734 -179.08 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . 0.547 ' HG3' HE22 ' A' ' 48' ' ' GLN . 75.4 mmtt -82.68 -35.07 27.14 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 114.813 -1.085 . . . . 41.25 110.026 178.084 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . 0.494 ' N ' ' HB3' ' B' ' 21' ' ' SER . 58.5 tp -147.78 146.66 29.26 Favored 'General case' 0 C--N 1.345 0.406 0 C-N-CA 120.017 -0.673 . . . . 71.52 111.759 -174.777 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -153.47 97.76 2.17 Favored 'General case' 0 C--N 1.331 -0.21 0 O-C-N 123.701 0.626 . . . . 53.33 109.421 173.366 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 4.4 m -141.07 177.87 3.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 121.277 0.561 . . . . 74.12 111.46 179.687 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.52 ' HG3' ' O ' ' B' ' 17' ' ' GLY . 35.6 tttm -131.72 143.43 50.25 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 114.902 -1.045 . . . . 64.31 110.108 -177.724 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . 0.806 ' HA ' ' H ' ' B' ' 44' ' ' THR . 0.0 OUTLIER -127.98 176.98 7.19 Favored 'General case' 0 C--O 1.253 1.285 0 CA-C-O 121.116 0.484 . . . . 72.32 110.695 176.043 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 12.0 p -145.71 153.62 41.17 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.058 -0.974 . . . . 62.35 111.677 -174.745 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -93.32 129.18 39.83 Favored Pre-proline 0 C--O 1.236 0.387 0 CA-C-N 115.969 -0.56 . . . . 75.13 109.681 174.027 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 33' ' ' PRO . . . . . 0.454 ' HG3' ' ND2' ' B' ' 45' ' ' ASN . 74.0 Cg_exo -49.33 107.88 0.17 Allowed 'Trans proline' 0 C--N 1.352 0.757 0 C-N-CA 122.874 2.383 . . . . 71.3 112.495 -177.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 34' ' ' ARG . . . . . 0.537 ' HB2' ' HA3' ' B' ' 40' ' ' GLY . 62.6 ttt180 -64.84 -20.16 66.26 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 120.909 0.385 . . . . 71.43 110.872 -178.09 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 42.4 mm-40 -50.29 -27.87 6.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.579 -0.737 . . . . 72.42 111.482 175.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 41.7 mt -110.47 13.52 22.72 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.969 -0.559 . . . . 63.52 111.008 -173.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 94.75 59.73 1.12 Allowed Glycine 0 C--N 1.333 0.414 0 CA-C-N 115.925 -0.579 . . . . 51.22 112.774 178.773 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . 0.453 ' H ' ' HA ' ' B' ' 34' ' ' ARG . . . -128.72 -134.83 3.88 Favored Glycine 0 C--N 1.333 0.378 0 N-CA-C 111.705 -0.558 . . . . 64.12 111.705 179.149 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 39' ' ' ALA . . . . . 0.412 ' O ' ' HD2' ' B' ' 34' ' ' ARG . . . -118.34 -29.0 5.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.635 0.255 . . . . 71.25 110.831 179.742 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 40' ' ' GLY . . . . . 0.537 ' HA3' ' HB2' ' B' ' 34' ' ' ARG . . . 52.39 47.74 55.87 Favored Glycine 0 C--N 1.334 0.451 0 CA-C-N 116.164 -0.471 . . . . 53.13 113.487 177.734 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . 0.491 ' HB3' ' HB2' ' B' ' 16' ' ' ASP . . . -79.44 174.81 11.19 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.684 0.278 . . . . 45.11 110.796 178.024 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . 0.421 ' O ' ' HG3' ' B' ' 42' ' ' GLU . 10.7 pt-20 -68.41 80.56 0.25 Allowed 'General case' 0 CA--C 1.534 0.358 0 CA-C-O 121.662 0.744 . . . . 74.14 110.355 176.676 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -145.74 -170.62 14.66 Favored Glycine 0 C--N 1.316 -0.558 0 CA-C-N 115.607 -0.724 . . . . 72.12 112.449 175.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 44' ' ' THR . . . . . 0.806 ' H ' ' HA ' ' B' ' 30' ' ' LEU . 31.2 p -102.08 179.32 4.36 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.864 0.364 . . . . 35.03 111.029 179.069 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 45' ' ' ASN . . . . . 0.492 ' HB3' ' OE2' ' B' ' 47' ' ' GLU . 11.4 m120 -97.99 126.7 39.43 Favored Pre-proline 0 C--N 1.326 -0.448 0 CA-C-N 115.869 -0.605 . . . . 71.14 110.228 178.841 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 46' ' ' PRO . . . . . . . . . . . . . 29.0 Cg_endo -63.68 -50.13 3.57 Favored 'Trans proline' 0 C--O 1.241 0.648 0 C-N-CA 122.63 2.22 . . . . 54.41 112.539 -178.604 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 47' ' ' GLU . . . . . 0.492 ' OE2' ' HB3' ' B' ' 45' ' ' ASN . 4.1 pm0 -62.22 -32.91 73.64 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 120.951 0.405 . . . . 73.03 110.133 179.228 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -64.93 -45.69 84.77 Favored 'General case' 0 C--O 1.225 -0.193 0 CA-C-N 115.927 -0.578 . . . . 65.22 109.564 174.01 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 49' ' ' LEU . . . . . 0.562 HD12 ' HA3' ' A' ' 53' ' ' GLY . 2.5 tm? -55.35 -49.73 71.51 Favored 'General case' 0 C--O 1.237 0.444 0 CA-C-N 115.847 -0.615 . . . . 73.15 109.856 -178.422 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 43.9 t80 -63.24 -42.76 99.24 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 116.258 -0.428 . . . . 74.53 110.681 176.789 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . 0.403 ' HB2' HG11 ' B' ' 83' ' ' VAL . . . -56.29 -53.19 60.18 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-O 120.821 0.343 . . . . 63.22 111.691 179.762 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 52' ' ' ALA . . . . . 0.44 ' HB1' ' HB1' ' A' ' 19' ' ' ALA . . . -62.66 -51.98 65.11 Favored 'General case' 0 C--O 1.239 0.512 0 CA-C-O 121.004 0.43 . . . . 74.31 110.79 -179.66 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . 0.435 ' HA3' HD12 ' A' ' 49' ' ' LEU . . . -57.52 -41.95 93.71 Favored Glycine 0 C--O 1.226 -0.394 0 CA-C-N 115.668 -0.696 . . . . 73.22 112.207 -179.843 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -67.15 -50.22 62.04 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 122.854 0.461 . . . . 73.14 111.067 -179.734 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 34.5 p -57.95 -43.48 86.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.684 0.278 . . . . 71.55 110.5 -177.736 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -68.68 -44.33 74.26 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 116.104 -0.498 . . . . 72.32 110.527 176.339 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 57' ' ' CYS . . . . . . . . . . . . . 52.2 t -57.98 -35.91 71.87 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 115.878 -0.601 . . . . 72.4 110.92 -179.259 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 37.7 t80 -57.41 -33.94 68.39 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-O 121.109 0.481 . . . . 52.32 109.921 -178.03 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 7.4 tt -70.71 -44.39 66.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.618 -0.719 . . . . 64.41 109.449 177.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 60' ' ' SER . . . . . 0.407 ' O ' ' HB3' ' B' ' 63' ' ' LYS . 1.8 m -55.69 -46.26 77.65 Favored 'General case' 0 C--O 1.241 0.626 0 CA-C-O 121.432 0.634 . . . . 73.23 110.275 177.475 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -60.93 -49.5 77.19 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 115.436 -0.802 . . . . 44.1 110.045 177.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 62' ' ' MET . . . . . 0.406 ' HB3' HD11 ' B' ' 73' ' ' LEU . 71.3 mmm -64.11 -22.61 67.0 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.895 -0.593 . . . . 71.0 111.005 177.656 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . 0.407 ' HB3' ' O ' ' B' ' 60' ' ' SER . 27.0 ttpp -71.63 -44.69 63.92 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.676 -0.49 . . . . 72.03 109.676 176.475 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 39.9 t80 -63.37 -41.86 98.84 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-O 121.115 0.483 . . . . 73.11 110.044 174.045 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 41.7 t -59.36 -49.05 84.94 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.156 0 CA-C-N 115.671 -0.695 . . . . 75.05 110.645 177.025 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -56.61 -32.79 65.63 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.002 -0.545 . . . . 74.13 110.612 -178.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -67.12 -32.48 80.51 Favored Glycine 0 CA--C 1.518 0.245 0 CA-C-N 115.426 -0.806 . . . . 75.04 112.57 -178.686 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -97.87 -12.58 21.96 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 121.508 0.67 . . . . 64.5 109.637 -179.373 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -95.12 -0.11 53.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.237 -0.892 . . . . 65.21 110.733 177.689 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 2.4 mptp? 63.1 24.25 14.35 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 115.756 -0.656 . . . . 73.12 111.816 175.681 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -118.56 169.57 9.68 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.16 -0.473 . . . . 74.24 110.516 -178.667 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 17.3 p -126.42 141.08 52.02 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.986 -0.552 . . . . 74.12 109.985 176.551 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 73' ' ' LEU . . . . . 0.406 HD11 ' HB3' ' B' ' 62' ' ' MET . 95.9 mt -96.35 137.93 21.57 Favored Pre-proline 0 C--N 1.327 -0.403 0 CA-C-N 116.533 -0.303 . . . . 75.15 110.429 -179.1 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 74' ' ' PRO . . . . . 0.48 ' HD2' HD11 ' B' ' 103' ' ' LEU . 31.9 Cg_exo -60.38 131.62 39.42 Favored 'Trans proline' 0 C--N 1.349 0.56 0 C-N-CA 122.644 2.229 . . . . 62.01 112.064 177.359 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -77.21 -15.6 59.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.837 0.351 . . . . 71.53 111.888 -176.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -84.9 5.09 30.38 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-O 121.08 0.467 . . . . 60.22 111.295 -178.141 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 77' ' ' THR . . . . . 0.516 ' HA ' ' HD3' ' B' ' 104' ' ' PRO . 13.5 t -75.19 158.54 32.84 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-O 121.0 0.429 . . . . 73.25 111.469 -176.371 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 7.4 m -149.9 149.16 30.03 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 115.76 -0.655 . . . . 71.23 110.133 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 76.6 t -130.85 122.89 53.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 N-CA-C 109.801 -0.444 . . . . 54.24 109.801 175.01 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 80' ' ' THR . . . . . 0.541 ' HA ' ' HA ' ' A' ' 10' ' ' THR . 23.4 m -106.91 110.23 22.33 Favored 'General case' 0 C--N 1.32 -0.678 0 C-N-CA 120.87 -0.332 . . . . 72.42 110.845 -179.044 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -96.84 118.12 32.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.987 -0.551 . . . . 73.43 110.153 178.27 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 82' ' ' GLU . . . . . 0.476 ' HA ' ' HA ' ' A' ' 8' ' ' ALA . 32.8 tt0 -120.98 107.72 13.0 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.217 -0.66 . . . . 71.23 109.217 179.27 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . 0.418 ' O ' ' HG3' ' A' ' 6' ' ' LYS . 19.8 m -102.37 146.21 10.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.053 -0.521 . . . . 71.44 111.175 -172.68 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 84' ' ' GLY . . . . . 0.423 ' HA2' ' HA ' ' A' ' 6' ' ' LYS . . . -144.15 166.96 27.01 Favored Glycine 0 N--CA 1.445 -0.761 0 CA-C-N 115.827 -0.624 . . . . 52.45 112.269 -178.549 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -142.46 135.99 27.68 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 N-CA-C 109.047 -0.723 . . . . 73.1 109.047 -179.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -148.99 169.86 29.4 Favored Glycine 0 CA--C 1.519 0.332 0 O-C-N 123.867 0.73 . . . . 52.3 111.535 -179.061 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 87' ' ' PRO . . . . . 0.709 ' HD3' ' HG ' ' A' ' 4' ' ' LEU . 15.2 Cg_exo -68.4 132.66 26.17 Favored 'Trans proline' 0 C--O 1.237 0.472 0 C-N-CA 122.674 2.25 . . . . 61.3 111.985 -177.875 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 88' ' ' ASN . . . . . . . . . . . . . 53.3 t-20 -93.14 140.59 29.34 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.078 -0.712 . . . . 72.3 109.078 176.493 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -64.12 -15.5 59.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.092 0.472 . . . . 65.22 111.075 -178.653 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -67.31 -19.31 65.46 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 115.644 -0.707 . . . . 74.05 110.36 175.626 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.06 27.52 6.22 Favored Glycine 0 N--CA 1.454 -0.157 0 CA-C-N 115.741 -0.663 . . . . 72.2 112.194 -179.58 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . -142.66 -141.62 3.9 Favored Glycine 0 C--N 1.331 0.284 0 N-CA-C 111.404 -0.678 . . . . 70.13 111.404 178.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 93' ' ' PHE . . . . . 0.408 ' HE1' ' CZ ' ' A' ' 64' ' ' PHE . 17.7 m-85 -111.39 159.26 18.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.902 0.382 . . . . 73.12 110.595 177.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -140.68 135.56 31.76 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.721 -0.672 . . . . 62.21 109.458 177.494 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -97.2 148.92 22.59 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.125 0.488 . . . . 74.21 110.918 -177.707 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 96' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -134.8 110.48 9.22 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.106 -0.952 . . . . 73.53 109.054 179.784 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 97' ' ' VAL . . . . . 0.731 ' HB ' HG22 ' B' ' 134' ' ' VAL . 58.5 t -111.29 110.8 33.52 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.937 0 CA-C-O 120.716 0.293 . . . . 65.34 110.694 -178.783 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -96.68 117.25 30.6 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.418 -0.355 . . . . 74.42 110.152 178.384 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 81.5 mt -107.56 110.79 22.78 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.786 -0.45 . . . . 61.12 109.786 178.051 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 100' ' ' ARG . . . . . 0.479 ' HA ' ' O ' ' B' ' 137' ' ' VAL . 90.9 mtt180 -99.4 119.77 38.51 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.781 -0.452 . . . . 64.11 109.781 -177.701 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 101' ' ' VAL . . . . . . . . . . . . . 93.7 t -102.23 109.28 25.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 116.028 -0.533 . . . . 60.12 111.073 -175.058 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -108.89 101.4 10.5 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.958 -0.386 . . . . 53.32 109.958 175.535 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 103' ' ' LEU . . . . . 0.762 HD23 HD22 ' B' ' 106' ' ' LEU . 25.6 tp -112.79 117.23 46.8 Favored Pre-proline 0 C--N 1.326 -0.432 0 N-CA-C 108.862 -0.792 . . . . 72.24 108.862 177.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 104' ' ' PRO . . . . . 0.556 ' HD2' HD12 ' B' ' 103' ' ' LEU . 33.8 Cg_endo -63.78 141.41 78.51 Favored 'Trans proline' 0 C--O 1.237 0.455 0 C-N-CA 122.799 2.333 . . . . 74.24 112.685 -174.394 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 105' ' ' GLY . . . . . . . . . . . . . . . 69.58 8.47 60.06 Favored Glycine 0 N--CA 1.45 -0.427 0 CA-C-N 114.757 -1.11 . . . . 72.34 113.118 179.561 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 106' ' ' LEU . . . . . 0.762 HD22 HD23 ' B' ' 103' ' ' LEU . 25.5 tp -102.65 136.42 42.51 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-O 121.304 0.573 . . . . 60.53 111.129 -178.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 41.6 m-20 -75.29 142.81 43.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.216 -0.902 . . . . 63.12 110.578 176.172 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 108' ' ' ALA . . . . . 0.402 ' O ' ' HG2' ' B' ' 112' ' ' LYS . . . -61.1 -40.56 94.2 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.721 0.296 . . . . 34.32 110.942 177.671 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -56.57 -48.74 76.7 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.19 -0.459 . . . . 64.51 110.641 -179.739 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 110' ' ' ALA . . . . . 0.535 ' O ' ' HG ' ' B' ' 114' ' ' LEU . . . -70.97 -38.62 72.78 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.924 -0.58 . . . . 72.03 109.976 178.102 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 111' ' ' ALA . . . . . 0.431 ' O ' HG23 ' B' ' 115' ' ' VAL . . . -55.03 -39.67 69.39 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.58 -0.736 . . . . 64.14 110.981 -178.319 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 112' ' ' LYS . . . . . 0.402 ' HG2' ' O ' ' B' ' 108' ' ' ALA . 33.9 mmtp -51.94 -47.53 64.7 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 116.103 -0.499 . . . . 74.45 111.077 179.798 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 113' ' ' THR . . . . . . . . . . . . . 1.3 t -82.09 -34.11 29.49 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 116.376 -0.374 . . . . 72.03 110.94 -175.262 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 114' ' ' LEU . . . . . 0.535 ' HG ' ' O ' ' B' ' 110' ' ' ALA . 38.0 mt -62.99 -44.51 95.83 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-O 121.19 0.519 . . . . 70.23 109.994 179.198 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 115' ' ' VAL . . . . . 0.607 HG21 HG12 ' B' ' 138' ' ' VAL . 73.6 t -62.32 -35.1 67.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 115.444 -0.798 . . . . 63.55 110.293 177.427 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -64.01 -61.25 2.39 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 116.155 -0.475 . . . . 75.43 110.897 179.778 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 117' ' ' ARG . . . . . . . . . . . . . 7.5 ptm85 -60.18 -40.35 89.7 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.29 -0.413 . . . . 70.2 111.007 -177.02 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -59.15 -46.45 88.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.243 0.545 . . . . 61.11 110.285 175.726 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 47.3 m80 -80.16 4.12 18.42 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.911 -0.586 . . . . 74.31 111.592 179.517 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 16.3 t-80 -101.86 -20.24 14.97 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.544 -0.298 . . . . 61.52 110.724 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 35.2 m -106.44 -29.92 2.66 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.417 0 N-CA-C 112.383 0.512 . . . . 63.42 112.383 -176.475 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 122' ' ' CYS . . . . . 0.489 ' HA ' ' HD3' ' B' ' 123' ' ' PRO . 75.6 m -67.45 129.93 93.49 Favored Pre-proline 0 CA--C 1.539 0.553 0 N-CA-C 111.665 0.246 . . . . 74.53 111.665 -175.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 123' ' ' PRO . . . . . 0.489 ' HD3' ' HA ' ' B' ' 122' ' ' CYS . 36.7 Cg_exo -62.11 -26.06 77.8 Favored 'Trans proline' 0 C--N 1.356 0.944 0 C-N-CA 123.569 2.846 . . . . 65.25 113.541 -176.659 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 124' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 . . . . . 0 N--CA 1.469 0.513 0 CA-C-O 120.656 0.265 . . . . 65.35 110.312 176.498 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 128' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.225 -0.213 0 N-CA-C 109.344 -0.614 . . . . 55.14 109.344 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 129' ' ' ARG . . . . . 0.429 ' HG3' ' N ' ' B' ' 130' ' ' ASN . 16.9 ptm180 -99.87 -47.26 5.1 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-O 121.607 0.718 . . . . 75.21 109.21 -178.011 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 130' ' ' ASN . . . . . 0.429 ' N ' ' HG3' ' B' ' 129' ' ' ARG . 85.3 m-20 -79.54 -26.59 41.4 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 114.788 -1.096 . . . . 74.14 111.761 -175.433 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 131' ' ' ASN . . . . . 0.715 HD22 HG13 ' B' ' 132' ' ' VAL . 7.5 t30 -100.57 -37.28 8.85 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 116.129 -0.487 . . . . 75.43 111.695 -173.377 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 132' ' ' VAL . . . . . 0.715 HG13 HD22 ' B' ' 131' ' ' ASN . 15.5 m -131.4 177.85 6.4 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.656 0 CA-C-O 120.549 0.214 . . . . 52.13 111.061 -177.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 133' ' ' ALA . . . . . . . . . . . . . . . -92.0 99.9 12.65 Favored 'General case' 0 C--O 1.24 0.589 0 CA-C-O 121.488 0.661 . . . . 72.23 111.877 -173.464 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 134' ' ' VAL . . . . . 0.731 HG22 ' HB ' ' B' ' 97' ' ' VAL . 83.1 t -124.25 108.48 20.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.063 -0.971 . . . . 61.1 110.465 176.58 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 2.7 ttt85 -77.77 108.57 11.09 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.356 -0.838 . . . . 74.32 110.391 178.165 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 78.9 mt -81.76 119.41 23.84 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.033 -0.53 . . . . 72.41 110.3 176.195 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 137' ' ' VAL . . . . . 0.479 ' O ' ' HA ' ' B' ' 100' ' ' ARG . 0.1 OUTLIER -127.71 121.88 57.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.64 -0.709 . . . . 72.22 109.656 -178.95 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 138' ' ' VAL . . . . . 0.607 HG12 HG21 ' B' ' 115' ' ' VAL . 2.4 m -97.01 138.21 22.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 N-CA-C 109.383 -0.599 . . . . 70.52 109.383 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 139' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.162 0 CA-C-O 118.599 -0.715 . . . . 71.35 110.878 -175.566 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.6 ptm . . . . . 0 N--CA 1.484 1.231 0 CA-C-O 120.874 0.369 . . . . 71.43 110.071 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 47.5 t30 -98.62 86.72 3.63 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.045 -0.525 . . . . 75.52 109.871 178.535 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.526 HG21 ' HB2' ' A' ' 6' ' ' LYS . 28.8 mm -64.32 116.4 3.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.978 -0.556 . . . . 51.02 110.927 177.527 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.675 ' HG ' ' HD3' ' B' ' 87' ' ' PRO . 88.5 mt -75.74 -43.62 45.85 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.453 -0.794 . . . . 74.21 110.069 178.866 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 46.9 t80 -138.85 130.7 27.78 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.979 -0.555 . . . . 54.43 110.063 -176.491 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.526 ' HB2' HG21 ' A' ' 3' ' ' ILE . 28.4 ttmt -143.78 131.22 21.01 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.137 0.494 . . . . 62.42 111.064 176.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 5.8 t -121.36 166.3 14.27 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 114.995 -1.002 . . . . 73.02 109.27 175.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.404 ' HB2' ' HG3' ' B' ' 82' ' ' GLU . . . -136.96 147.68 46.48 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.707 0.289 . . . . 64.34 110.78 -175.006 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -139.85 124.06 17.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.247 -0.433 . . . . 65.14 110.585 179.488 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 7.8 t -96.79 130.82 43.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.321 -0.4 . . . . 73.43 110.029 179.185 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 10.9 p -123.14 138.05 54.75 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.238 0.542 . . . . 71.32 111.626 -176.669 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.421 HG22 ' N ' ' A' ' 13' ' ' GLY . 6.7 m -109.59 167.28 10.25 Favored 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 123.317 0.647 . . . . 72.12 109.911 177.288 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.421 ' N ' HG22 ' A' ' 12' ' ' THR . . . -78.32 5.73 54.21 Favored Glycine 0 CA--C 1.526 0.731 0 C-N-CA 120.923 -0.656 . . . . 62.44 113.553 176.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 30.05 -129.6 0.13 Allowed Glycine 0 C--N 1.344 0.98 0 O-C-N 123.646 0.262 . . . . 62.02 113.364 -174.646 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 31.8 mmt180 -88.8 -38.23 14.8 Favored 'General case' 0 C--O 1.236 0.368 0 N-CA-C 107.88 -1.156 . . . . 73.04 107.88 164.769 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.531 ' HB3' ' HA ' ' A' ' 31' ' ' SER . 24.9 t0 -125.42 -42.66 1.95 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 114.991 -1.004 . . . . 74.22 109.608 173.544 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.446 ' O ' ' HG3' ' A' ' 29' ' ' LYS . . . -165.97 163.65 36.91 Favored Glycine 0 C--N 1.342 0.892 0 C-N-CA 120.62 -0.8 . . . . 73.12 111.352 169.32 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.635 ' HA ' ' HA ' ' A' ' 29' ' ' LYS . 51.9 ttt180 -149.49 148.18 29.1 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.379 -0.6 . . . . 73.24 109.379 177.585 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -142.1 124.0 15.27 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.871 0.367 . . . . 71.12 110.267 -175.756 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 25.6 m -130.68 111.31 12.07 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.945 -0.571 . . . . 63.53 110.026 179.512 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.493 ' HB2' ' HB3' ' A' ' 26' ' ' LEU . 11.4 t -74.05 114.45 12.39 Favored 'General case' 0 C--O 1.246 0.887 0 N-CA-C 107.709 -1.219 . . . . 62.3 107.709 177.853 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.415 ' C ' ' H ' ' A' ' 24' ' ' GLN . 9.7 t60 -53.37 -33.99 55.82 Favored 'General case' 0 N--CA 1.474 0.773 0 O-C-N 126.155 2.159 . . . . 71.44 112.868 -164.789 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 26.6 p-10 -80.48 18.67 0.88 Allowed 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 121.512 0.672 . . . . 73.43 110.07 -178.14 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.415 ' H ' ' C ' ' A' ' 22' ' ' HIS . 29.9 mm-40 70.65 23.89 4.53 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 114.734 -1.121 . . . . 72.53 110.645 173.186 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.45 ' HA ' ' HD3' ' A' ' 25' ' ' LYS . 69.6 mmtt -84.7 -26.78 27.48 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.673 -0.694 . . . . 73.44 110.447 175.545 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.493 ' HB3' ' HB2' ' A' ' 21' ' ' SER . 58.3 tp -144.54 145.63 31.93 Favored 'General case' 0 C--O 1.224 -0.253 0 C-N-CA 119.37 -0.932 . . . . 74.42 111.882 -178.685 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -160.46 92.77 0.99 Allowed 'General case' 0 N--CA 1.466 0.328 0 O-C-N 123.806 0.691 . . . . 74.13 109.859 173.031 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.578 ' O ' ' HG3' ' A' ' 18' ' ' ARG . 4.1 m -148.78 177.04 0.92 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.535 0 CA-C-O 121.117 0.484 . . . . 62.12 111.626 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.635 ' HA ' ' HA ' ' A' ' 18' ' ' ARG . 22.4 ttpt -125.43 141.62 51.96 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.086 -0.961 . . . . 62.42 109.669 178.242 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.803 ' HA ' ' H ' ' A' ' 44' ' ' THR . 0.0 OUTLIER -122.87 154.64 38.02 Favored 'General case' 0 C--O 1.253 1.263 0 CA-C-O 121.283 0.563 . . . . 64.12 110.607 176.253 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.531 ' HA ' ' HB3' ' A' ' 16' ' ' ASP . 50.0 m -163.05 126.69 2.85 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 114.779 -1.1 . . . . 75.34 109.85 -173.738 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.41 132.72 95.23 Favored Pre-proline 0 C--O 1.237 0.419 0 N-CA-C 109.774 -0.454 . . . . 52.21 109.774 175.134 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_endo -75.54 34.55 0.41 Allowed 'Trans proline' 0 CA--C 1.533 0.444 0 C-N-CA 123.182 2.588 . . . . 73.33 112.467 -176.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.488 ' HA ' ' H ' ' A' ' 38' ' ' GLY . 5.7 ttt180 52.35 -92.17 0.03 OUTLIER 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 123.308 0.643 . . . . 50.12 111.492 -174.259 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.419 ' HB2' HD22 ' A' ' 36' ' ' LEU . 33.4 mm-40 56.34 -73.26 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.604 0 O-C-N 123.728 0.643 . . . . 75.14 112.348 178.513 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.475 ' N ' ' O ' ' A' ' 34' ' ' ARG . 1.2 mm? -85.32 -15.62 42.72 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.867 0.365 . . . . 63.44 110.022 -176.012 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 128.26 43.84 0.22 Allowed Glycine 0 C--N 1.333 0.376 0 CA-C-N 115.788 -0.642 . . . . 72.22 112.438 179.58 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.488 ' H ' ' HA ' ' A' ' 34' ' ' ARG . . . -94.6 -131.27 6.24 Favored Glycine 0 CA--C 1.522 0.516 0 C-N-CA 121.329 -0.463 . . . . 73.44 112.359 -179.176 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -99.04 -49.6 4.46 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-O 120.976 0.417 . . . . 63.22 110.771 -178.444 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 82.98 88.85 0.72 Allowed Glycine 0 N--CA 1.451 -0.335 0 CA-C-N 115.831 -0.622 . . . . 45.53 112.707 177.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -156.81 170.88 21.46 Favored 'General case' 0 C--O 1.234 0.277 0 N-CA-C 110.304 -0.258 . . . . 44.21 110.304 179.007 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -83.09 72.95 10.1 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-O 121.872 0.844 . . . . 71.23 110.853 179.601 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -132.57 -170.4 12.5 Favored Glycine 0 C--N 1.318 -0.437 0 CA-C-N 114.856 -1.065 . . . . 55.55 111.081 175.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.803 ' H ' ' HA ' ' A' ' 30' ' ' LEU . 38.8 m -93.05 140.71 29.2 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 110.056 -0.35 . . . . 74.01 110.056 177.791 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.661 ' HB2' ' HB3' ' A' ' 48' ' ' GLN . 1.2 m-20 -68.25 144.51 96.78 Favored Pre-proline 0 C--N 1.326 -0.428 0 CA-C-N 116.213 -0.449 . . . . 72.33 109.974 177.463 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_exo -60.63 -60.53 0.25 Allowed 'Trans proline' 0 CA--C 1.535 0.572 0 C-N-CA 122.964 2.442 . . . . 63.04 112.838 -177.374 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -65.97 -30.65 71.24 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 120.988 0.423 . . . . 62.13 110.499 -177.121 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.661 ' HB3' ' HB2' ' A' ' 45' ' ' ASN . 27.7 tt0 -65.63 -38.63 89.94 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-N 115.777 -0.647 . . . . 72.35 110.352 175.25 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -64.99 -51.06 63.76 Favored 'General case' 0 C--O 1.234 0.285 0 N-CA-C 109.144 -0.687 . . . . 71.11 109.144 178.277 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 36.4 t80 -58.21 -43.26 87.57 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-N 116.039 -0.528 . . . . 64.45 110.581 177.656 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.471 ' HB2' HG11 ' A' ' 83' ' ' VAL . . . -53.09 -53.15 54.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.114 -0.494 . . . . 52.03 110.888 177.199 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.64 -43.91 97.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.751 -0.659 . . . . 51.43 111.102 179.635 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -65.05 -42.94 96.42 Favored Glycine 0 C--N 1.332 0.309 0 CA-C-N 116.129 -0.487 . . . . 45.35 112.642 -178.448 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.494 ' CE2' HD11 ' A' ' 99' ' ' LEU . 1.9 t80 -69.32 -46.93 65.93 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.962 -0.384 . . . . 71.4 109.962 -179.726 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.5 t -57.19 -47.17 81.92 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.413 -0.588 . . . . 50.31 109.413 179.547 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.567 ' HB2' ' HB2' ' B' ' 19' ' ' ALA . . . -64.75 -40.22 94.94 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-N 115.846 -0.616 . . . . 72.41 110.946 177.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 44.5 t -57.04 -37.3 71.58 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 116.073 -0.512 . . . . 74.4 110.115 177.752 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -60.84 -35.1 75.69 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 115.748 -0.66 . . . . 64.12 109.977 179.677 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.421 ' O ' ' HD3' ' A' ' 63' ' ' LYS . 4.4 mm? -75.29 -0.44 19.64 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 115.974 -0.557 . . . . 74.12 111.903 -179.752 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 21.7 t -114.16 -46.08 3.02 Favored 'General case' 0 C--O 1.243 0.72 0 N-CA-C 109.282 -0.636 . . . . 74.4 109.282 175.419 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.453 ' O ' HG23 ' A' ' 65' ' ' VAL . . . -53.24 -45.96 68.95 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 115.505 -0.771 . . . . 64.15 110.204 175.393 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . 0.479 ' SD ' ' HB1' ' A' ' 118' ' ' ALA . 80.8 mmm -61.32 -32.27 72.13 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.312 -0.404 . . . . 61.32 111.347 178.628 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.421 ' HD3' ' O ' ' A' ' 59' ' ' LEU . 1.4 mptm? -64.67 -51.78 60.75 Favored 'General case' 0 C--O 1.234 0.25 0 N-CA-C 109.82 -0.437 . . . . 62.32 109.82 176.687 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 41.2 t80 -62.44 -41.89 99.07 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 116.293 -0.412 . . . . 70.35 110.384 179.357 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.453 HG23 ' O ' ' A' ' 61' ' ' ALA . 55.8 t -58.39 -47.43 87.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 51.41 110.422 177.222 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -61.14 -29.27 69.68 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.094 0.474 . . . . 55.45 110.129 178.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -70.93 -34.43 65.4 Favored Glycine 0 N--CA 1.45 -0.373 0 CA-C-N 115.356 -0.838 . . . . 65.01 112.33 -179.162 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -91.56 -20.54 21.57 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 121.408 0.623 . . . . 73.33 109.629 -178.026 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 10.2 m-80 -90.72 1.42 56.87 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 114.939 -1.028 . . . . 73.35 110.275 178.32 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.0 mptp? 53.63 40.62 31.68 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 115.596 -0.729 . . . . 70.5 110.866 175.749 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -129.81 169.12 15.56 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 114.878 -1.055 . . . . 65.11 110.367 178.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 14.7 p -126.13 134.09 51.43 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.202 -0.454 . . . . 71.13 110.225 177.024 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.405 ' HA ' ' HD3' ' A' ' 74' ' ' PRO . 0.2 OUTLIER -109.48 142.0 24.77 Favored Pre-proline 0 N--CA 1.465 0.305 0 CA-C-N 116.714 -0.221 . . . . 63.13 110.971 178.225 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 73' ' ' LEU . 54.3 Cg_exo -54.59 139.21 75.97 Favored 'Trans proline' 0 C--N 1.351 0.673 0 C-N-CA 123.194 2.596 . . . . 75.32 112.876 -179.548 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -77.35 -6.16 52.27 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 121.221 0.534 . . . . 74.43 111.167 179.386 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -88.51 4.14 47.75 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.626 -0.715 . . . . 72.44 111.22 -177.352 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.402 HG22 ' O ' ' A' ' 74' ' ' PRO . 10.3 t -76.53 154.24 34.74 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.841 -0.618 . . . . 73.42 111.576 -176.676 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 53.6 m -149.09 150.12 32.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.635 -0.711 . . . . 65.01 110.145 -179.573 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 72.8 t -130.1 130.96 66.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 N-CA-C 108.943 -0.762 . . . . 73.54 108.943 177.743 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.53 ' HA ' ' HA ' ' B' ' 10' ' ' THR . 11.8 m -114.85 115.77 27.5 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.754 0.312 . . . . 61.0 111.023 -178.122 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -93.34 105.73 17.77 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 116.03 -0.532 . . . . 75.0 110.626 177.654 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.491 ' HG2' ' HD3' ' B' ' 6' ' ' LYS . 36.9 tt0 -101.86 108.7 20.26 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.485 -0.561 . . . . 74.0 109.485 178.271 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.471 HG11 ' HB2' ' A' ' 51' ' ' ALA . 19.2 m -112.4 146.75 16.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.97 0.414 . . . . 74.25 111.335 -173.601 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.422 ' HA2' ' HA ' ' B' ' 6' ' ' LYS . . . -143.41 167.15 26.62 Favored Glycine 0 N--CA 1.445 -0.72 0 CA-C-N 115.813 -0.631 . . . . 64.22 112.088 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.519 HD11 ' CD2' ' A' ' 93' ' ' PHE . 0.0 OUTLIER -138.2 132.85 43.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 N-CA-C 109.111 -0.7 . . . . 71.32 109.111 -177.952 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -141.68 169.98 24.98 Favored Glycine 0 CA--C 1.516 0.123 0 O-C-N 124.079 0.862 . . . . 64.2 110.955 179.602 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.706 ' HD3' ' HG ' ' B' ' 4' ' ' LEU . 60.0 Cg_endo -80.82 134.31 9.56 Favored 'Trans proline' 0 N--CA 1.455 -0.747 0 C-N-CA 122.174 1.916 . . . . 75.13 112.169 -177.457 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . 0.45 ' HB2' ' HB2' ' A' ' 94' ' ' ALA . 51.4 t30 -86.08 150.61 24.32 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.586 -0.734 . . . . 63.43 110.014 -179.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -62.31 -19.87 63.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.113 -0.494 . . . . 74.31 111.548 -177.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -67.28 -23.2 65.65 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 116.174 -0.467 . . . . 62.35 111.044 177.251 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 103.99 35.06 3.54 Favored Glycine 0 N--CA 1.455 -0.095 0 N-CA-C 111.272 -0.731 . . . . 52.42 111.272 -175.335 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -144.27 -144.35 4.18 Favored Glycine 0 N--CA 1.45 -0.397 0 N-CA-C 111.17 -0.772 . . . . 74.12 111.17 -179.756 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.519 ' CD2' HD11 ' A' ' 85' ' ' ILE . 42.1 m-85 -109.79 160.99 15.87 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 117.116 0.458 . . . . 72.25 110.772 179.465 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.45 ' HB2' ' HB2' ' A' ' 88' ' ' ASN . . . -145.06 138.01 26.4 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.264 -0.88 . . . . 73.43 108.929 177.539 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -103.71 140.95 36.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.14 0.495 . . . . 75.45 111.406 -176.609 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.423 ' HB3' HD11 ' B' ' 3' ' ' ILE . 15.3 t70 -130.26 126.09 36.43 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 114.806 -1.088 . . . . 62.1 108.763 -179.484 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.793 HG13 HG22 ' A' ' 134' ' ' VAL . 0.7 OUTLIER -132.54 119.29 38.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-O 121.621 0.724 . . . . 41.42 111.499 -178.883 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.446 ' CD ' HH21 ' A' ' 135' ' ' ARG . 29.9 tt0 -108.89 130.46 55.43 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.491 -0.777 . . . . 51.52 110.128 -179.536 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.494 HD11 ' CE2' ' A' ' 54' ' ' TYR . 94.9 mt -114.19 117.47 31.29 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.421 -0.354 . . . . 73.33 110.794 -176.125 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.547 ' HA ' ' O ' ' A' ' 137' ' ' VAL . 35.7 ttt180 -99.53 117.53 34.13 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.303 -0.628 . . . . 73.43 109.303 177.216 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 46.8 t -105.71 98.37 6.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 N-CA-C 110.284 -0.265 . . . . 72.23 110.284 -174.623 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -92.0 101.52 14.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.902 0.382 . . . . 73.1 110.798 -178.104 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 6.1 mt -111.64 117.5 48.7 Favored Pre-proline 0 C--N 1.326 -0.428 0 CA-C-N 115.928 -0.578 . . . . 73.31 109.662 176.226 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 68.0 Cg_endo -73.84 150.04 43.54 Favored 'Trans proline' 0 N--CA 1.462 -0.36 0 C-N-CA 122.764 2.309 . . . . 73.52 112.702 -177.159 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 68.97 15.16 69.05 Favored Glycine 0 CA--C 1.522 0.485 0 CA-C-N 115.391 -0.822 . . . . 54.45 112.955 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.472 HD21 ' HA ' ' A' ' 111' ' ' ALA . 40.1 tp -116.47 143.15 45.94 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-O 120.823 0.344 . . . . 65.03 111.222 -174.074 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -77.57 163.48 26.23 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 116.057 -0.519 . . . . 72.42 110.448 176.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.5 ' O ' ' HG3' ' A' ' 112' ' ' LYS . . . -68.29 -44.75 74.81 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.65 -0.705 . . . . 74.35 109.834 169.812 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -59.87 -48.13 82.95 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 115.562 -0.744 . . . . 64.13 110.939 -177.203 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 0.554 ' O ' HG22 ' A' ' 113' ' ' THR . . . -70.74 -42.57 70.32 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.897 -0.592 . . . . 73.25 110.114 178.702 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . 0.472 ' HA ' HD21 ' A' ' 106' ' ' LEU . . . -54.46 -39.87 67.88 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.157 -0.474 . . . . 54.13 111.613 179.761 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . 0.5 ' HG3' ' O ' ' A' ' 108' ' ' ALA . 68.5 mttm -53.33 -42.78 67.09 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 116.699 -0.228 . . . . 74.23 111.345 -179.849 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . 0.554 HG22 ' O ' ' A' ' 110' ' ' ALA . 2.8 t -81.13 -38.63 26.89 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 120.923 0.392 . . . . 74.22 110.659 -177.6 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.414 ' HG ' ' O ' ' A' ' 110' ' ' ALA . 49.0 mt -64.58 -43.74 92.88 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.301 -0.409 . . . . 61.01 110.756 -177.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 92.1 t -66.84 -32.64 58.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.123 -0.49 . . . . 72.22 110.225 177.415 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . 0.416 ' O ' ' HB2' ' A' ' 120' ' ' HIS . 21.2 t70 -62.33 -61.5 2.41 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 116.395 -0.366 . . . . 63.5 110.11 178.233 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 14.6 ptm180 -59.14 -42.02 89.69 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-N 115.748 -0.66 . . . . 65.24 110.983 -178.034 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . 0.479 ' HB1' ' SD ' ' A' ' 62' ' ' MET . . . -60.4 -46.64 89.27 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 121.307 0.575 . . . . 63.41 110.425 177.49 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . 0.482 ' HE1' ' HB3' ' A' ' 129' ' ' ARG . 48.4 t-80 -85.13 9.87 13.74 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 115.706 -0.679 . . . . 74.13 110.414 -179.034 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . 0.416 ' HB2' ' O ' ' A' ' 116' ' ' ASP . 4.9 t60 -108.63 -36.12 6.26 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 116.119 -0.491 . . . . 75.14 110.439 178.28 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 33.3 m -82.2 -34.84 12.61 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.397 0 N-CA-C 112.23 0.455 . . . . 74.54 112.23 -176.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 76.6 m -69.13 131.27 90.7 Favored Pre-proline 0 CA--C 1.536 0.416 0 CA-C-N 116.799 -0.182 . . . . 72.12 111.055 -176.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 13.0 Cg_endo -55.19 -51.33 10.4 Favored 'Trans proline' 0 C--N 1.355 0.901 0 C-N-CA 123.065 2.51 . . . . 74.45 112.37 -177.469 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 22.7 m-85 -54.03 -43.53 70.23 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 121.181 0.515 . . . . 65.44 109.722 178.008 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . 0.514 ' O ' HG22 ' A' ' 128' ' ' THR . 70.3 m -59.24 -40.76 86.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.213 -0.903 . . . . 62.44 112.183 -174.398 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 93.6 m-20 -72.25 -48.65 41.06 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.299 0.571 . . . . 73.42 110.094 179.266 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . 0.411 ' O ' ' HB3' ' A' ' 131' ' ' ASN . . . -70.16 -1.74 11.03 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.689 -0.687 . . . . 54.1 111.927 -179.154 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' THR . . . . . 0.578 HG23 HG21 ' A' ' 134' ' ' VAL . 2.6 t -112.99 -21.01 11.32 Favored 'General case' 0 N--CA 1.452 -0.33 0 N-CA-C 109.978 -0.378 . . . . 73.21 109.978 -178.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . 0.482 ' HB3' ' HE1' ' A' ' 119' ' ' HIS . 17.7 ptt180 -101.64 -47.7 4.55 Favored 'General case' 0 CA--C 1.517 -0.315 0 N-CA-C 109.183 -0.673 . . . . 72.04 109.183 -176.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 130' ' ' ASN . . . . . 0.408 ' N ' ' HG3' ' A' ' 129' ' ' ARG . 15.8 m120 -78.61 -36.57 43.99 Favored 'General case' 0 N--CA 1.446 -0.669 0 CA-C-N 115.284 -0.871 . . . . 71.52 110.192 -177.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 131' ' ' ASN . . . . . 0.411 ' HB3' ' O ' ' A' ' 127' ' ' ALA . 2.3 t-20 -96.84 -22.91 16.64 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 115.878 -0.601 . . . . 72.12 111.718 -175.733 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . 0.629 HG12 ' H ' ' A' ' 133' ' ' ALA . 11.5 t -132.77 175.2 11.93 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.646 0 N-CA-C 109.938 -0.393 . . . . 70.22 109.938 -174.057 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . 0.629 ' H ' HG12 ' A' ' 132' ' ' VAL . . . -99.17 95.85 7.37 Favored 'General case' 0 C--O 1.243 0.756 0 CA-C-O 121.572 0.701 . . . . 45.42 112.202 -175.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . 0.793 HG22 HG13 ' A' ' 97' ' ' VAL . 95.1 t -116.35 129.35 72.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 114.888 -1.051 . . . . 75.02 111.025 176.117 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . 0.446 HH21 ' CD ' ' A' ' 98' ' ' GLU . 1.9 tmm_? -105.55 123.38 47.81 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 108.668 -0.864 . . . . 72.41 108.668 175.591 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.447 HD23 ' HB2' ' A' ' 99' ' ' LEU . 39.0 mt -94.57 133.82 37.79 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.265 0.555 . . . . 50.04 111.211 -177.282 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . 0.547 ' O ' ' HA ' ' A' ' 100' ' ' ARG . 0.1 OUTLIER -133.46 115.23 22.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.326 -0.852 . . . . 74.42 109.242 175.291 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 2.5 m -88.38 138.71 18.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 N-CA-C 109.834 -0.432 . . . . 53.11 109.834 -177.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.321 -0.673 0 CA-C-N 116.264 -0.425 . . . . 73.13 110.885 -176.124 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . 0.456 ' HE3' HD13 ' B' ' 3' ' ' ILE . 15.9 ptt? . . . . . 0 C--O 1.234 0.262 0 CA-C-O 120.927 0.394 . . . . 72.42 111.0 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 41.8 t30 -72.94 76.0 1.18 Allowed 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 115.889 -0.596 . . . . 61.35 110.604 176.145 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . 0.543 HG21 ' HB2' ' B' ' 6' ' ' LYS . 33.9 mm -73.42 132.7 33.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.901 -0.59 . . . . 72.42 111.82 175.753 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.706 ' HG ' ' HD3' ' A' ' 87' ' ' PRO . 87.6 mt -91.39 -44.27 9.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.465 -0.789 . . . . 75.25 110.039 174.768 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 5' ' ' TYR . . . . . . . . . . . . . 35.0 t80 -136.05 129.52 32.08 Favored 'General case' 0 C--O 1.224 -0.282 0 CA-C-N 116.026 -0.534 . . . . 75.45 110.24 -178.662 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . 0.543 ' HB2' HG21 ' B' ' 3' ' ' ILE . 30.4 ttmt -137.52 141.23 41.45 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.087 0.47 . . . . 65.01 111.148 177.676 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 10.1 t -137.64 170.55 15.88 Favored 'General case' 0 C--O 1.237 0.439 0 CA-C-N 115.453 -0.794 . . . . 72.52 109.279 177.441 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -133.46 145.5 50.29 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.155 0.502 . . . . 64.22 111.178 -176.054 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . 0.432 ' HA ' ' H ' ' B' ' 22' ' ' HIS . . . -141.37 118.29 11.16 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.771 -0.65 . . . . 31.45 109.481 176.225 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . 0.53 ' HA ' ' HA ' ' A' ' 80' ' ' THR . 12.5 t -101.13 156.21 17.55 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.32 -0.4 . . . . 64.31 110.083 -175.42 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 58.9 p -137.74 113.43 9.63 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.774 0.321 . . . . 74.14 110.819 -177.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 4.9 m -102.84 160.54 14.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.043 -0.526 . . . . 53.42 110.607 -177.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -77.64 72.8 2.15 Favored Glycine 0 CA--C 1.521 0.436 0 C-N-CA 120.976 -0.631 . . . . 71.12 111.917 173.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -57.52 -92.74 0.01 OUTLIER Glycine 0 C--N 1.34 0.771 0 C-N-CA 121.74 -0.267 . . . . 73.4 112.642 179.595 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 12.3 tpt180 -88.62 -55.56 3.66 Favored 'General case' 0 N--CA 1.462 0.15 0 N-CA-C 108.28 -1.007 . . . . 65.14 108.28 172.635 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 16' ' ' ASP . . . . . 0.401 ' O ' ' NZ ' ' A' ' 63' ' ' LYS . 24.1 t0 -126.2 -41.95 1.88 Allowed 'General case' 0 C--O 1.236 0.349 0 CA-C-N 114.639 -1.164 . . . . 65.33 108.23 167.383 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -150.79 151.38 23.39 Favored Glycine 0 N--CA 1.446 -0.648 0 CA-C-N 115.623 -0.717 . . . . 74.22 111.769 171.642 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 18' ' ' ARG . . . . . 0.51 ' HG3' ' O ' ' B' ' 28' ' ' VAL . 16.3 ttp180 -134.5 145.72 49.05 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 108.71 -0.848 . . . . 74.4 108.71 175.029 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 19' ' ' ALA . . . . . 0.567 ' HB2' ' HB2' ' A' ' 56' ' ' ALA . . . -127.65 123.62 36.01 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 108.808 -0.812 . . . . 64.21 108.808 177.367 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 23.8 m -137.52 113.01 9.4 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 116.274 -0.421 . . . . 75.11 110.649 -172.706 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 21' ' ' SER . . . . . 0.525 ' HB3' ' N ' ' B' ' 26' ' ' LEU . 43.7 t -69.82 111.38 5.52 Favored 'General case' 0 C--O 1.246 0.9 0 N-CA-C 107.458 -1.312 . . . . 74.21 107.458 175.007 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 22' ' ' HIS . . . . . 0.432 ' H ' ' HA ' ' B' ' 9' ' ' ALA . 10.4 t-80 -48.34 -37.45 16.66 Favored 'General case' 0 N--CA 1.469 0.515 0 O-C-N 126.106 2.129 . . . . 73.12 113.178 -165.204 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . 0.406 ' HB3' ' HE2' ' B' ' 25' ' ' LYS . 1.4 m-20 -80.66 26.08 0.41 Allowed 'General case' 0 C--N 1.317 -0.833 0 CA-C-O 120.94 0.4 . . . . 63.54 110.895 -175.456 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 24' ' ' GLN . . . . . 0.408 ' H ' ' C ' ' B' ' 22' ' ' HIS . 28.0 mm-40 68.4 15.72 9.23 Favored 'General case' 0 CA--C 1.518 -0.279 0 CA-C-N 115.455 -0.793 . . . . 71.43 110.512 176.59 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . 0.406 ' HE2' ' HB3' ' B' ' 23' ' ' ASP . 72.5 mmtt -74.92 -34.35 62.11 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 115.67 -0.695 . . . . 41.25 109.837 -179.809 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . 0.525 ' N ' ' HB3' ' B' ' 21' ' ' SER . 50.7 tp -148.68 147.67 29.17 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 120.312 -0.555 . . . . 71.52 111.784 -176.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -156.66 101.19 1.98 Allowed 'General case' 0 N--CA 1.464 0.27 0 O-C-N 123.803 0.69 . . . . 53.33 109.589 174.25 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 28' ' ' VAL . . . . . 0.51 ' O ' ' HG3' ' B' ' 18' ' ' ARG . 3.3 m -139.29 177.94 4.26 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.448 0 CA-C-N 116.011 -0.54 . . . . 74.12 110.767 179.501 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.505 ' HA ' ' HA ' ' B' ' 18' ' ' ARG . 16.8 ttmt -140.02 144.47 36.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.006 0.432 . . . . 64.31 111.221 -174.733 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . 0.621 ' N ' HD13 ' B' ' 30' ' ' LEU . 0.0 OUTLIER -134.08 175.25 9.65 Favored 'General case' 0 C--O 1.249 1.038 0 CA-C-N 115.485 -0.78 . . . . 72.32 110.701 176.107 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 41.0 p -170.91 144.39 2.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.714 -0.676 . . . . 62.35 110.433 -176.553 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -74.65 114.09 30.73 Favored Pre-proline 0 C--O 1.24 0.585 0 O-C-N 123.46 0.475 . . . . 75.13 111.488 -179.486 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 33' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -59.83 144.26 99.48 Favored 'Trans proline' 0 C--N 1.354 0.829 0 C-N-CA 122.588 2.192 . . . . 71.3 110.737 174.362 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 34' ' ' ARG . . . . . 0.594 ' HB2' ' N ' ' B' ' 40' ' ' GLY . 36.1 ttt85 -84.82 3.74 36.35 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.818 -0.353 . . . . 71.43 111.846 -171.641 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -53.72 -24.75 15.8 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-O 120.791 0.329 . . . . 72.42 111.774 177.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 72.6 mt -113.94 23.1 13.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.411 -0.359 . . . . 63.52 111.023 -177.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 81.65 31.77 32.18 Favored Glycine 0 C--N 1.332 0.323 0 C-N-CA 120.98 -0.628 . . . . 51.22 111.616 -176.317 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . 0.498 ' H ' ' HA ' ' B' ' 34' ' ' ARG . . . -86.8 -131.54 3.13 Favored Glycine 0 CA--C 1.519 0.307 0 CA-C-N 115.208 -0.496 . . . . 64.12 112.631 -177.595 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -105.67 -39.53 6.05 Favored 'General case' 0 N--CA 1.462 0.159 0 N-CA-C 112.084 0.402 . . . . 71.25 112.084 -173.376 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 40' ' ' GLY . . . . . 0.594 ' N ' ' HB2' ' B' ' 34' ' ' ARG . . . 102.35 31.59 5.21 Favored Glycine 0 C--N 1.328 0.136 0 C-N-CA 120.694 -0.765 . . . . 53.13 113.689 177.626 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -96.24 175.69 6.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.799 0.333 . . . . 45.11 110.708 177.634 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -109.34 9.54 25.69 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-O 121.049 0.452 . . . . 74.14 111.153 -173.593 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -71.78 -156.2 2.53 Favored Glycine 0 CA--C 1.522 0.518 0 CA-C-N 115.168 -0.924 . . . . 72.12 113.506 -177.687 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 44' ' ' THR . . . . . 0.597 ' H ' ' HA ' ' B' ' 30' ' ' LEU . 22.8 m -106.56 156.93 18.07 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 122.52 0.328 . . . . 35.03 110.95 -173.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 45' ' ' ASN . . . . . 0.521 ' HB2' ' HB2' ' B' ' 48' ' ' GLN . 40.4 m-80 -86.38 144.33 37.91 Favored Pre-proline 0 CA--C 1.534 0.359 0 N-CA-C 109.814 -0.439 . . . . 71.14 109.814 176.376 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 46' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' B' ' 45' ' ' ASN . 26.7 Cg_exo -63.29 -49.72 4.37 Favored 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 122.677 2.251 . . . . 54.41 112.272 179.616 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -63.88 -32.12 73.54 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 121.709 0.766 . . . . 73.03 109.681 -178.075 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . 0.521 ' HB2' ' HB2' ' B' ' 45' ' ' ASN . 64.9 tt0 -62.74 -42.5 99.7 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 114.25 -1.341 . . . . 65.22 110.213 177.746 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -68.7 -48.64 63.36 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 115.709 -0.678 . . . . 73.15 109.904 179.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -56.3 -46.7 79.67 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 116.303 -0.408 . . . . 74.53 110.723 178.642 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . 0.533 ' HB1' ' HB1' ' B' ' 81' ' ' ALA . . . -63.66 -52.23 61.61 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.284 -0.416 . . . . 63.22 111.597 -178.791 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.93 -54.16 48.14 Favored 'General case' 0 C--O 1.239 0.511 0 CA-C-O 121.222 0.534 . . . . 74.31 110.528 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -59.55 -50.61 65.91 Favored Glycine 0 N--CA 1.449 -0.482 0 CA-C-N 115.433 -0.803 . . . . 73.22 112.351 -179.538 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 6.2 t80 -59.73 -48.43 81.72 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.505 0.152 . . . . 73.14 110.939 -178.108 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 77.3 p -57.55 -51.59 68.85 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 109.895 -0.409 . . . . 71.55 109.895 -179.277 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.06 -43.26 91.71 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-O 121.072 0.463 . . . . 72.32 111.21 178.524 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 57' ' ' CYS . . . . . . . . . . . . . 97.3 m -64.75 -36.03 82.98 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.818 -0.628 . . . . 72.4 110.9 -178.051 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 30.3 t80 -60.92 -23.21 65.08 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 116.453 -0.34 . . . . 52.32 110.768 -174.361 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . 0.457 ' O ' ' HG3' ' B' ' 63' ' ' LYS . 8.7 mp -65.82 -45.81 80.9 Favored 'General case' 0 N--CA 1.463 0.202 0 N-CA-C 109.743 -0.466 . . . . 64.41 109.743 175.298 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 60' ' ' SER . . . . . 0.546 ' HA ' ' HD3' ' B' ' 63' ' ' LYS . 35.6 t -59.89 -43.54 94.72 Favored 'General case' 0 C--O 1.239 0.538 0 CA-C-O 121.332 0.587 . . . . 73.23 109.5 176.025 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 61' ' ' ALA . . . . . 0.426 ' O ' HG23 ' B' ' 65' ' ' VAL . . . -57.92 -41.54 82.91 Favored 'General case' 0 N--CA 1.457 -0.101 0 CA-C-N 115.484 -0.78 . . . . 44.1 110.123 176.408 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 62' ' ' MET . . . . . 0.482 ' SD ' ' HB1' ' B' ' 118' ' ' ALA . 81.9 mmm -67.75 -31.84 72.03 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-N 116.107 -0.497 . . . . 71.0 110.968 178.364 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . 0.546 ' HD3' ' HA ' ' B' ' 60' ' ' SER . 62.0 mtpt -65.96 -41.17 91.57 Favored 'General case' 0 C--O 1.234 0.242 0 N-CA-C 109.803 -0.443 . . . . 72.03 109.803 177.393 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 61.1 t80 -68.93 -46.83 67.23 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 116.227 -0.442 . . . . 73.11 110.276 175.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 65' ' ' VAL . . . . . 0.426 HG23 ' O ' ' B' ' 61' ' ' ALA . 42.0 t -54.86 -48.55 74.05 Favored 'Isoleucine or valine' 0 C--O 1.233 0.205 0 CA-C-N 116.193 -0.458 . . . . 75.05 110.54 178.38 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -58.53 -32.16 68.6 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.939 -0.573 . . . . 74.13 110.214 178.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -67.33 -31.57 77.4 Favored Glycine 0 N--CA 1.449 -0.473 0 CA-C-N 115.34 -0.845 . . . . 75.04 112.214 -178.5 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 68' ' ' GLN . . . . . 0.41 ' HG3' HD22 ' B' ' 69' ' ' ASN . 13.2 pt20 -98.99 -13.04 20.07 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 121.382 0.61 . . . . 64.5 109.827 -179.555 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 69' ' ' ASN . . . . . 0.41 HD22 ' HG3' ' B' ' 68' ' ' GLN . 1.0 OUTLIER -92.82 1.48 57.26 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.353 -0.84 . . . . 65.21 110.508 176.524 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 63.34 29.55 15.68 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 115.503 -0.771 . . . . 73.12 111.297 175.102 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -127.12 166.06 18.37 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.969 -0.56 . . . . 74.24 110.657 179.565 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 11.1 p -124.93 134.62 52.58 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.308 -0.405 . . . . 74.12 110.715 179.451 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 73' ' ' LEU . . . . . 0.482 HD22 HD21 ' B' ' 103' ' ' LEU . 95.2 mt -109.59 144.26 29.5 Favored Pre-proline 0 C--N 1.33 -0.242 0 CA-C-N 116.33 -0.395 . . . . 75.15 110.894 -179.466 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 74' ' ' PRO . . . . . 0.566 ' HD2' HD11 ' B' ' 103' ' ' LEU . 23.5 Cg_exo -66.07 144.09 74.45 Favored 'Trans proline' 0 C--N 1.35 0.649 0 C-N-CA 123.053 2.502 . . . . 62.01 112.909 179.849 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -76.74 -22.08 54.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.603 0.716 . . . . 71.53 111.009 178.732 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -80.72 22.84 0.56 Allowed 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.161 -0.927 . . . . 60.22 111.493 -172.5 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 77' ' ' THR . . . . . 0.524 ' HA ' ' HD3' ' B' ' 104' ' ' PRO . 9.9 t -87.94 162.09 17.08 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-N 115.997 -0.547 . . . . 73.25 112.118 -175.296 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 1.2 p -150.92 152.37 33.52 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 115.238 -0.892 . . . . 71.23 110.697 -177.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 79' ' ' VAL . . . . . 0.428 ' CG2' HD11 ' B' ' 59' ' ' LEU . 59.8 t -136.78 157.86 36.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 N-CA-C 108.781 -0.822 . . . . 54.24 108.781 178.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 85.6 m -135.73 122.04 20.46 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 122.021 -0.424 . . . . 72.42 110.64 174.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 81' ' ' ALA . . . . . 0.533 ' HB1' ' HB1' ' B' ' 51' ' ' ALA . . . -104.05 111.08 23.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.681 -0.691 . . . . 73.43 109.894 178.249 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 82' ' ' GLU . . . . . 0.404 ' HG3' ' HB2' ' A' ' 8' ' ' ALA . 27.7 tt0 -113.99 110.85 20.7 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.647 -0.501 . . . . 71.23 109.647 -177.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . 0.416 ' O ' ' HG3' ' A' ' 6' ' ' LYS . 93.6 t -103.32 136.61 35.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.198 -0.455 . . . . 71.44 111.24 -174.089 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 84' ' ' GLY . . . . . . . . . . . . . . . -136.32 162.65 25.11 Favored Glycine 0 N--CA 1.441 -0.981 0 N-CA-C 111.522 -0.631 . . . . 52.45 111.522 177.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -145.23 134.84 18.3 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.827 0 N-CA-C 109.155 -0.683 . . . . 73.1 109.155 178.695 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 86' ' ' GLY . . . . . 0.41 ' HA2' ' HG ' ' A' ' 4' ' ' LEU . . . -147.4 170.02 28.26 Favored Glycine 0 C--O 1.23 -0.128 0 N-CA-C 111.078 -0.809 . . . . 52.3 111.078 -179.477 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 87' ' ' PRO . . . . . 0.675 ' HD3' ' HG ' ' A' ' 4' ' ' LEU . 23.6 Cg_exo -61.93 129.99 29.42 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.379 2.053 . . . . 61.3 111.714 -177.724 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 88' ' ' ASN . . . . . 0.477 ' HB2' ' C ' ' B' ' 93' ' ' PHE . 47.9 t-20 -81.96 147.45 29.23 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.786 -0.643 . . . . 72.3 109.936 -178.798 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -61.34 -23.47 65.77 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.181 0.515 . . . . 65.22 110.162 177.404 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -67.07 -22.78 65.83 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 115.208 -0.906 . . . . 74.05 110.889 175.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.29 10.11 34.71 Favored Glycine 0 CA--C 1.52 0.36 0 CA-C-N 115.971 -0.559 . . . . 72.2 112.238 -175.544 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . -117.11 -126.55 3.8 Favored Glycine 0 CA--C 1.52 0.351 0 N-CA-C 111.545 -0.622 . . . . 70.13 111.545 177.262 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 93' ' ' PHE . . . . . 0.477 ' C ' ' HB2' ' B' ' 88' ' ' ASN . 18.4 m-85 -123.04 148.36 45.66 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.024 0.44 . . . . 73.12 110.617 179.148 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -128.59 127.73 42.85 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.714 -0.676 . . . . 62.21 109.361 179.767 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -96.28 143.02 27.73 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.044 0.45 . . . . 74.21 110.989 -177.202 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 96' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -128.6 110.3 12.12 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 114.958 -1.019 . . . . 73.53 109.264 -178.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 97' ' ' VAL . . . . . . . . . . . . . 51.7 t -114.23 110.73 33.16 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.041 0 CA-C-O 120.732 0.301 . . . . 65.34 110.245 -178.279 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -101.35 111.55 23.8 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.377 -0.374 . . . . 74.42 110.256 -177.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 88.9 mt -103.86 107.1 17.83 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-N 116.238 -0.437 . . . . 61.12 110.205 179.277 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 100' ' ' ARG . . . . . 0.511 ' HA ' HG13 ' B' ' 137' ' ' VAL . 53.2 ttt180 -99.42 119.8 38.57 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.015 -0.539 . . . . 64.11 109.933 -179.122 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 101' ' ' VAL . . . . . . . . . . . . . 93.7 t -103.68 106.41 20.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.351 -0.386 . . . . 60.12 111.322 -174.695 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -104.1 101.19 10.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.902 0.382 . . . . 53.32 110.264 176.55 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 103' ' ' LEU . . . . . 0.851 HD23 HD22 ' B' ' 106' ' ' LEU . 32.0 tp -110.84 122.66 37.5 Favored Pre-proline 0 C--N 1.329 -0.309 0 N-CA-C 108.783 -0.821 . . . . 72.24 108.783 178.823 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 104' ' ' PRO . . . . . 0.535 ' HD2' HD12 ' B' ' 103' ' ' LEU . 70.7 Cg_endo -73.01 150.96 49.52 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.224 1.949 . . . . 74.24 112.348 -176.389 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 105' ' ' GLY . . . . . . . . . . . . . . . 66.72 14.78 63.37 Favored Glycine 0 CA--C 1.521 0.423 0 CA-C-N 115.539 -0.755 . . . . 72.34 112.886 -179.014 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 106' ' ' LEU . . . . . 0.851 HD22 HD23 ' B' ' 103' ' ' LEU . 26.6 tp -113.79 136.91 52.34 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-O 121.209 0.528 . . . . 60.53 111.133 -177.201 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -75.48 148.23 39.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.231 -0.895 . . . . 63.12 110.176 175.478 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 108' ' ' ALA . . . . . 0.405 ' O ' ' HG3' ' B' ' 112' ' ' LYS . . . -66.11 -41.52 90.46 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.878 0.371 . . . . 34.32 110.891 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -59.38 -46.82 87.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.027 -0.533 . . . . 64.51 110.295 178.727 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 110' ' ' ALA . . . . . 0.576 ' O ' HG22 ' B' ' 113' ' ' THR . . . -67.78 -39.91 84.04 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.692 -0.686 . . . . 72.03 110.24 178.126 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 111' ' ' ALA . . . . . 0.476 ' HA ' HD21 ' B' ' 106' ' ' LEU . . . -55.07 -43.94 74.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.851 -0.613 . . . . 64.14 110.829 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 112' ' ' LYS . . . . . 0.405 ' HG3' ' O ' ' B' ' 108' ' ' ALA . 53.9 mtpt -53.35 -42.31 66.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.687 -0.688 . . . . 74.45 111.663 178.732 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 113' ' ' THR . . . . . 0.576 HG22 ' O ' ' B' ' 110' ' ' ALA . 1.3 t -79.69 -35.22 39.44 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-O 120.709 0.29 . . . . 72.03 110.663 -176.326 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 114' ' ' LEU . . . . . 0.513 ' HG ' ' O ' ' B' ' 110' ' ' ALA . 51.4 mt -66.08 -49.18 68.51 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-O 120.935 0.398 . . . . 70.23 110.201 -179.257 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 115' ' ' VAL . . . . . 0.576 HG21 HG12 ' B' ' 138' ' ' VAL . 73.5 t -58.75 -40.38 79.49 Favored 'Isoleucine or valine' 0 C--O 1.239 0.534 0 CA-C-N 115.806 -0.634 . . . . 63.55 110.25 176.477 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -58.93 -61.44 2.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.405 -0.816 . . . . 75.43 111.053 -178.733 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 117' ' ' ARG . . . . . 0.434 ' HG2' ' O ' ' B' ' 113' ' ' THR . 15.9 ptm180 -61.38 -44.12 97.7 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 115.869 -0.605 . . . . 70.2 110.984 -177.141 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 118' ' ' ALA . . . . . 0.482 ' HB1' ' SD ' ' B' ' 62' ' ' MET . . . -58.6 -49.76 76.31 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-O 120.978 0.418 . . . . 61.11 111.363 -177.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 119' ' ' HIS . . . . . 0.476 ' CE1' HG13 ' B' ' 115' ' ' VAL . 65.6 m80 -74.83 -5.2 42.23 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.218 -0.446 . . . . 74.31 111.934 -175.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 13.6 t-80 -103.77 -34.73 8.46 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-O 120.61 0.243 . . . . 61.52 110.699 179.676 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 32.9 m -81.5 -30.33 10.85 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.26 0 CA-C-O 120.952 0.406 . . . . 63.42 110.416 178.08 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 122' ' ' CYS . . . . . . . . . . . . . 53.0 t -123.26 77.57 52.82 Favored Pre-proline 0 C--N 1.331 -0.234 0 N-CA-C 109.615 -0.513 . . . . 74.53 109.615 176.043 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 123' ' ' PRO . . . . . . . . . . . . . 87.2 Cg_endo -101.26 107.56 0.04 OUTLIER 'Trans proline' 0 N--CA 1.45 -1.046 0 C-N-CA 123.392 2.728 . . . . 65.25 113.198 -177.565 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 124' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.282 0 N-CA-C 108.938 -0.764 . . . . 65.35 108.938 170.792 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 128' ' ' THR . . . . . 0.409 ' O ' ' HB ' ' B' ' 132' ' ' VAL . 0.6 OUTLIER . . . . . 0 CA--C 1.534 0.338 0 CA-C-O 120.754 0.311 . . . . 55.14 110.608 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 129' ' ' ARG . . . . . . . . . . . . . 10.6 ptp180 -125.57 -40.51 2.08 Favored 'General case' 0 N--CA 1.463 0.193 0 N-CA-C 111.741 0.274 . . . . 75.21 111.741 -176.151 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 130' ' ' ASN . . . . . . . . . . . . . 55.7 m-80 -78.67 -36.84 43.14 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 121.145 0.498 . . . . 74.14 109.71 174.502 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 131' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -81.95 -43.84 17.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.679 -0.691 . . . . 75.43 110.832 -179.474 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 132' ' ' VAL . . . . . 0.409 ' HB ' ' O ' ' B' ' 128' ' ' THR . 21.6 t -98.07 155.67 3.72 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.301 0 CA-C-N 116.082 -0.508 . . . . 52.13 110.49 -177.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 133' ' ' ALA . . . . . . . . . . . . . . . -79.68 103.1 9.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.308 0.575 . . . . 72.23 111.279 -177.481 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 134' ' ' VAL . . . . . . . . . . . . . 46.8 t -123.73 110.46 25.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.483 -0.78 . . . . 61.1 110.039 177.202 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 82.1 mtt180 -76.62 114.43 15.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.97 -0.559 . . . . 74.32 110.407 -179.231 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 33.7 mt -91.46 109.1 20.39 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.335 -0.617 . . . . 72.41 109.335 170.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 137' ' ' VAL . . . . . 0.511 HG13 ' HA ' ' B' ' 100' ' ' ARG . 0.2 OUTLIER -125.95 128.88 72.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.731 -0.668 . . . . 72.22 110.441 -175.216 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 138' ' ' VAL . . . . . 0.576 HG12 HG21 ' B' ' 115' ' ' VAL . 3.1 m -98.71 138.35 23.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 115.937 -0.574 . . . . 70.52 110.076 -179.292 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 139' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.045 0 CA-C-N 115.704 -0.68 . . . . 71.35 110.511 -176.631 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.519 ' SD ' ' HB2' ' B' ' 96' ' ' ASP . 25.7 ptm . . . . . 0 N--CA 1.487 1.42 0 CA-C-O 121.03 0.443 . . . . 71.43 110.791 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . 0.429 ' O ' ' HA3' ' B' ' 86' ' ' GLY . 49.7 t30 -91.11 84.15 5.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.807 -0.633 . . . . 75.52 109.631 -178.868 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.544 HG21 ' HB2' ' A' ' 6' ' ' LYS . 27.0 mm -76.67 131.49 34.75 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-N 115.838 -0.619 . . . . 51.02 112.367 -178.429 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.666 ' HG ' ' HD3' ' B' ' 87' ' ' PRO . 81.7 mt -90.93 -44.06 9.6 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-N 115.216 -0.902 . . . . 74.21 109.723 172.307 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 23.6 t80 -136.04 129.63 32.27 Favored 'General case' 0 C--O 1.221 -0.403 0 CA-C-N 115.582 -0.735 . . . . 54.43 109.911 -177.537 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.544 ' HB2' HG21 ' A' ' 3' ' ' ILE . 28.1 ttmt -142.28 132.65 24.99 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.026 0.441 . . . . 62.42 110.125 174.698 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 12.3 t -134.53 149.8 50.7 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.389 -0.823 . . . . 73.02 109.865 -178.309 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.471 ' HA ' ' HA ' ' B' ' 82' ' ' GLU . . . -112.57 151.3 30.21 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-O 121.128 0.49 . . . . 64.34 111.685 -174.02 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.483 ' HA ' ' H ' ' A' ' 22' ' ' HIS . . . -143.66 126.88 16.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.847 -0.615 . . . . 65.14 110.08 176.287 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.493 HG23 ' HB ' ' A' ' 20' ' ' THR . 4.8 t -99.41 137.06 38.45 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.465 -0.334 . . . . 73.43 110.114 178.68 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 58.7 p -126.06 113.52 17.2 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.122 0.487 . . . . 71.32 110.495 179.138 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 4.9 m -106.4 161.91 14.16 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.169 -0.469 . . . . 72.12 110.746 -178.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -79.52 72.93 2.46 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 121.017 -0.611 . . . . 62.44 111.727 174.463 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -60.08 -101.78 0.01 OUTLIER Glycine 0 C--N 1.338 0.667 0 C-N-CA 121.455 -0.402 . . . . 62.02 112.368 178.258 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.419 ' HG2' ' HB2' ' A' ' 41' ' ' ALA . 10.3 tpt180 -82.72 -54.6 5.01 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 108.985 -0.746 . . . . 73.04 108.985 174.504 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.524 ' HB3' ' HA ' ' A' ' 31' ' ' SER . 22.0 t70 -125.62 -41.8 1.98 Allowed 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 107.764 -1.199 . . . . 74.22 107.764 169.176 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -154.56 159.33 28.86 Favored Glycine 0 N--CA 1.445 -0.733 0 CA-C-N 115.273 -0.876 . . . . 73.12 110.912 170.38 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.611 ' HA ' ' HA ' ' A' ' 29' ' ' LYS . 56.4 ttp180 -137.6 147.69 45.24 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 109.346 -0.612 . . . . 73.24 109.346 176.799 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.449 ' HB2' ' HB2' ' B' ' 56' ' ' ALA . . . -130.44 123.55 30.03 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.855 -0.424 . . . . 71.12 109.855 177.104 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.493 ' HB ' HG23 ' A' ' 10' ' ' THR . 27.9 m -133.27 111.01 10.49 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.69 -0.686 . . . . 63.53 110.039 -179.221 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.479 ' HB3' ' N ' ' A' ' 26' ' ' LEU . 44.8 t -68.47 108.73 3.39 Favored 'General case' 0 C--O 1.246 0.875 0 N-CA-C 107.49 -1.3 . . . . 62.3 107.49 177.53 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.483 ' H ' ' HA ' ' A' ' 9' ' ' ALA . 31.8 t60 -56.16 -23.52 35.44 Favored 'General case' 0 N--CA 1.47 0.528 0 O-C-N 125.783 1.927 . . . . 71.44 112.563 -165.19 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.434 ' CB ' ' HE3' ' A' ' 25' ' ' LYS . 4.2 m-20 -80.3 19.46 0.76 Allowed 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 109.708 -0.479 . . . . 73.43 109.708 179.578 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.44 ' H ' ' C ' ' A' ' 22' ' ' HIS . 29.7 mm-40 69.87 16.59 7.72 Favored 'General case' 0 CA--C 1.519 -0.229 0 CA-C-N 115.192 -0.913 . . . . 72.53 110.03 176.66 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.434 ' HE3' ' CB ' ' A' ' 23' ' ' ASP . 95.1 mttt -78.62 -35.33 45.71 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-N 115.113 -0.949 . . . . 73.44 111.003 -178.646 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.479 ' N ' ' HB3' ' A' ' 21' ' ' SER . 56.0 tp -145.69 147.85 32.4 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 120.141 -0.624 . . . . 74.42 111.634 -175.541 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -156.96 94.89 1.47 Allowed 'General case' 0 N--CA 1.463 0.219 0 O-C-N 123.558 0.536 . . . . 74.13 110.413 177.026 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.4 ' O ' ' HG3' ' A' ' 18' ' ' ARG . 4.3 m -145.01 177.3 1.78 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.422 0 CA-C-N 116.264 -0.425 . . . . 62.12 110.685 177.181 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.611 ' HA ' ' HA ' ' A' ' 18' ' ' ARG . 0.0 OUTLIER -131.42 147.32 52.55 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.249 -0.432 . . . . 62.42 110.733 -176.904 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.69 ' HA ' ' H ' ' A' ' 44' ' ' THR . 0.0 OUTLIER -130.32 165.78 21.78 Favored 'General case' 0 C--O 1.244 0.773 0 CA-C-N 116.205 -0.452 . . . . 64.12 110.802 178.8 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.524 ' HA ' ' HB3' ' A' ' 16' ' ' ASP . 47.2 m -161.09 177.44 10.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.874 -0.603 . . . . 75.34 110.278 -175.304 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.456 ' O ' ' HA3' ' A' ' 38' ' ' GLY . . . -88.79 149.05 42.96 Favored Pre-proline 0 C--N 1.326 -0.454 0 CA-C-N 115.885 -0.598 . . . . 52.21 110.139 179.857 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.519 ' HG3' ' ND2' ' A' ' 45' ' ' ASN . 31.3 Cg_exo -61.35 125.12 16.12 Favored 'Trans proline' 0 C--O 1.234 0.306 0 C-N-CA 122.584 2.189 . . . . 73.33 112.38 -179.316 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.433 ' HG2' ' HA2' ' A' ' 40' ' ' GLY . 0.5 OUTLIER -52.2 -27.75 15.8 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 120.847 0.356 . . . . 50.12 110.834 173.586 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 17.3 mp0 -56.78 -34.76 67.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.567 -0.742 . . . . 75.14 110.569 176.657 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 72.4 mt -107.53 14.97 25.27 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.846 -0.615 . . . . 63.44 110.809 -176.616 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.32 36.44 8.83 Favored Glycine 0 CA--C 1.519 0.309 0 C-N-CA 121.06 -0.59 . . . . 72.22 112.576 179.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.456 ' HA3' ' O ' ' A' ' 32' ' ' ALA . . . -66.7 -7.63 42.61 Favored Glycine 0 C--N 1.334 0.451 0 C-N-CA 121.559 -0.353 . . . . 73.44 113.559 -179.823 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . 77.07 -0.65 2.92 Favored 'General case' 0 N--CA 1.448 -0.572 0 C-N-CA 123.737 0.815 . . . . 63.22 111.352 172.367 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.433 ' HA2' ' HG2' ' A' ' 34' ' ' ARG . . . 102.76 102.23 2.67 Favored Glycine 0 N--CA 1.433 -1.5 0 CA-C-N 115.107 -0.951 . . . . 45.53 113.787 163.795 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.419 ' HB2' ' HG2' ' A' ' 15' ' ' ARG . . . -164.55 146.14 8.28 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.85 -0.426 . . . . 44.21 109.85 173.411 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -101.24 35.82 2.15 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.867 -0.606 . . . . 71.23 110.517 -177.626 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -82.64 -123.9 0.82 Allowed Glycine 0 CA--C 1.521 0.428 0 CA-C-N 115.703 -0.68 . . . . 55.55 112.559 -179.372 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.69 ' H ' ' HA ' ' A' ' 30' ' ' LEU . 92.5 m -140.87 151.31 44.19 Favored 'General case' 0 N--CA 1.45 -0.46 0 N-CA-C 109.964 -0.384 . . . . 74.01 109.964 -178.566 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.519 ' ND2' ' HG3' ' A' ' 33' ' ' PRO . 1.1 m-20 -84.73 139.5 37.74 Favored Pre-proline 0 CA--C 1.534 0.332 0 N-CA-C 110.044 -0.354 . . . . 72.33 110.044 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.586 ' HB3' ' SG ' ' B' ' 57' ' ' CYS . 38.4 Cg_exo -58.86 -59.75 0.43 Allowed 'Trans proline' 0 CA--C 1.536 0.596 0 C-N-CA 123.204 2.603 . . . . 63.04 113.176 -177.044 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.513 ' CD ' ' H ' ' A' ' 47' ' ' GLU . 2.8 mp0 -56.16 -39.7 72.71 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-O 121.733 0.778 . . . . 62.13 109.48 -179.052 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.478 HE21 HG23 ' A' ' 44' ' ' THR . 25.5 tt0 -61.76 -41.11 97.27 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 114.426 -1.261 . . . . 72.35 110.813 178.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.508 HD12 ' HA3' ' B' ' 53' ' ' GLY . 2.5 tm? -65.27 -49.35 69.88 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 115.74 -0.664 . . . . 71.11 109.701 -178.702 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 61.2 t80 -60.61 -44.2 96.58 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 116.346 -0.388 . . . . 64.45 110.369 177.69 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.508 ' HB2' HG11 ' A' ' 83' ' ' VAL . . . -54.08 -53.01 58.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 52.03 111.436 177.855 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.39 -45.59 93.0 Favored 'General case' 0 C--O 1.236 0.342 0 CA-C-N 116.083 -0.508 . . . . 51.43 110.613 -179.514 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.553 ' HA3' HD12 ' B' ' 49' ' ' LEU . . . -65.13 -37.4 94.08 Favored Glycine 0 N--CA 1.449 -0.463 0 CA-C-N 115.784 -0.644 . . . . 45.35 112.46 -179.812 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.425 ' HE1' ' SG ' ' A' ' 122' ' ' CYS . 4.7 t80 -75.24 -37.78 60.87 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 122.25 0.22 . . . . 71.4 110.739 -177.446 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.494 ' HB3' ' HB2' ' A' ' 81' ' ' ALA . 17.0 p -66.3 -44.02 84.67 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.012 0.434 . . . . 50.31 109.845 177.273 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.523 ' HB1' HD21 ' B' ' 30' ' ' LEU . . . -64.24 -40.2 95.54 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 115.857 -0.61 . . . . 72.41 110.301 175.283 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.751 ' SG ' ' HB3' ' B' ' 46' ' ' PRO . 44.0 t -62.7 -36.65 83.64 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.606 -0.724 . . . . 74.4 110.274 176.625 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -64.0 -40.7 96.95 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.988 -0.551 . . . . 64.12 109.623 -178.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 85.6 mt -65.01 -43.34 92.81 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.569 -0.742 . . . . 74.12 110.285 176.542 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 34.7 m -62.24 -44.67 96.02 Favored 'General case' 0 C--O 1.239 0.544 0 CA-C-N 115.841 -0.618 . . . . 74.4 110.198 178.214 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.428 ' O ' HG23 ' A' ' 65' ' ' VAL . . . -60.76 -47.2 87.37 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-N 115.315 -0.857 . . . . 64.15 110.05 178.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 85.2 mmm -62.23 -34.61 76.83 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.253 -0.43 . . . . 61.32 110.954 178.701 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 8.3 ttpm? -65.42 -43.41 90.64 Favored 'General case' 0 C--O 1.233 0.214 0 N-CA-C 109.969 -0.382 . . . . 62.32 109.969 178.559 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 77.4 t80 -67.04 -49.09 66.3 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 116.18 -0.464 . . . . 70.35 110.602 177.332 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.428 HG23 ' O ' ' A' ' 61' ' ' ALA . 53.4 t -55.65 -48.34 77.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.041 -0.527 . . . . 51.41 110.892 -179.431 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -56.39 -31.2 63.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.092 0.473 . . . . 55.45 110.488 178.364 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -71.51 -31.71 65.32 Favored Glycine 0 CA--C 1.518 0.243 0 CA-C-N 115.424 -0.807 . . . . 65.01 112.448 -178.344 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.403 ' HG3' HD22 ' A' ' 69' ' ' ASN . 12.4 pt20 -96.2 -12.89 23.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.424 0.631 . . . . 73.33 109.365 179.705 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.427 ' HB3' ' HG2' ' A' ' 71' ' ' GLN . 0.9 OUTLIER -90.47 -5.2 56.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.143 -0.935 . . . . 73.35 110.274 175.88 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 58.33 26.55 14.15 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 115.724 -0.671 . . . . 70.5 110.904 178.155 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.563 HE22 HD21 ' A' ' 73' ' ' LEU . 2.3 pt20 -117.38 161.36 19.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.772 -0.649 . . . . 65.11 109.978 179.296 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 3.4 p -115.83 139.28 50.34 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.909 0.385 . . . . 71.13 110.982 -179.661 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.563 HD21 HE22 ' A' ' 71' ' ' GLN . 94.0 mt -109.4 137.86 20.38 Favored Pre-proline 0 C--N 1.326 -0.415 0 CA-C-N 115.957 -0.565 . . . . 63.13 109.575 178.152 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.646 ' HB2' ' HG2' ' A' ' 104' ' ' PRO . 32.2 Cg_exo -59.78 138.81 85.19 Favored 'Trans proline' 0 C--N 1.349 0.569 0 C-N-CA 122.722 2.281 . . . . 75.32 112.44 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -77.16 2.18 16.12 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.205 0.446 . . . . 74.43 112.205 -176.685 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.431 ' HB3' ' HG3' ' A' ' 104' ' ' PRO . 27.8 t70 -95.06 1.51 55.07 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.371 0.605 . . . . 72.44 110.707 -178.844 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.403 HG22 ' O ' ' A' ' 74' ' ' PRO . 9.6 t -72.36 152.72 41.89 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.722 -0.672 . . . . 73.42 111.685 -175.431 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 29.5 m -154.2 150.67 28.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.792 -0.64 . . . . 65.01 110.049 -178.564 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 79.2 t -129.49 121.33 52.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 N-CA-C 110.008 -0.367 . . . . 73.54 110.008 177.273 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 21.0 m -102.74 111.07 23.22 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.096 -0.502 . . . . 61.0 110.316 179.207 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.494 ' HB2' ' HB3' ' A' ' 55' ' ' SER . . . -93.69 106.49 18.46 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.052 -0.522 . . . . 75.0 109.975 178.078 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.43 ' HA ' ' HA ' ' B' ' 8' ' ' ALA . 34.8 tt0 -110.15 108.59 18.8 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.491 -0.559 . . . . 74.0 109.491 -178.823 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.508 HG11 ' HB2' ' A' ' 51' ' ' ALA . 21.8 m -108.9 144.96 16.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.978 0.418 . . . . 74.25 111.049 -173.725 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.456 ' HA2' ' HA ' ' B' ' 6' ' ' LYS . . . -142.3 165.93 26.55 Favored Glycine 0 N--CA 1.446 -0.689 0 CA-C-N 115.722 -0.672 . . . . 64.22 111.868 -179.346 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -145.45 131.65 14.21 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 N-CA-C 109.773 -0.454 . . . . 71.32 109.773 -178.384 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . 0.411 ' HA2' ' HG ' ' B' ' 4' ' ' LEU . . . -148.47 169.9 29.02 Favored Glycine 0 N--CA 1.453 -0.193 0 CA-C-N 115.251 -0.886 . . . . 64.2 111.422 177.329 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.711 ' HD3' ' HG ' ' B' ' 4' ' ' LEU . 2.8 Cg_endo -79.29 123.01 5.37 Favored 'Trans proline' 0 N--CA 1.458 -0.577 0 C-N-CA 122.89 2.393 . . . . 75.13 111.75 -179.3 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . 0.493 ' HB2' ' HB2' ' A' ' 94' ' ' ALA . 47.7 t30 -70.95 149.24 46.89 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.126 -0.488 . . . . 63.43 110.092 177.26 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -62.05 -19.01 62.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.294 -0.412 . . . . 74.31 111.357 -177.19 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -67.19 -21.8 65.77 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.041 -0.527 . . . . 62.35 111.135 178.05 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.24 35.17 3.45 Favored Glycine 0 C--N 1.328 0.109 0 N-CA-C 111.49 -0.644 . . . . 52.42 111.49 -176.254 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -144.41 -154.66 6.2 Favored Glycine 0 N--CA 1.451 -0.343 0 N-CA-C 111.082 -0.807 . . . . 74.12 111.082 179.457 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 37.4 m-85 -100.38 166.25 11.05 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 117.097 0.448 . . . . 72.25 110.485 178.19 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.493 ' HB2' ' HB2' ' A' ' 88' ' ' ASN . . . -152.22 126.26 9.14 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.755 -0.657 . . . . 73.43 109.462 175.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -99.91 122.46 42.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.739 -0.664 . . . . 75.45 110.307 -178.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -110.09 112.02 23.75 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.344 -0.844 . . . . 62.1 109.686 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.436 ' HB ' HG22 ' A' ' 134' ' ' VAL . 60.1 t -111.46 110.83 33.63 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.795 0 CA-C-N 116.133 -0.485 . . . . 41.42 110.363 -178.769 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -101.15 109.28 21.13 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.594 -0.521 . . . . 51.52 109.594 179.767 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 74.8 mt -100.41 112.57 24.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.489 -0.323 . . . . 73.33 110.429 -177.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.545 ' HA ' ' O ' ' A' ' 137' ' ' VAL . 98.1 mtt180 -99.27 113.76 26.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.486 . . . . 73.43 109.992 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 44.1 t -107.36 97.8 6.13 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-N 116.304 -0.407 . . . . 72.23 110.316 -175.482 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -91.83 101.35 13.93 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.843 0.354 . . . . 73.1 110.1 179.722 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.766 HD23 HD22 ' A' ' 106' ' ' LEU . 25.8 tp -115.07 107.32 50.11 Favored Pre-proline 0 C--N 1.328 -0.364 0 N-CA-C 108.567 -0.901 . . . . 73.31 108.567 177.304 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . 0.646 ' HG2' ' HB2' ' A' ' 74' ' ' PRO . 55.7 Cg_endo -70.73 148.97 59.96 Favored 'Trans proline' 0 C--O 1.233 0.265 0 C-N-CA 122.881 2.387 . . . . 73.52 112.788 -171.667 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 77.57 4.19 84.34 Favored Glycine 0 CA--C 1.518 0.277 0 CA-C-N 115.463 -0.79 . . . . 54.45 112.245 -179.074 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.766 HD22 HD23 ' A' ' 103' ' ' LEU . 18.2 tp -113.96 141.34 47.52 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 122.784 0.434 . . . . 65.03 111.045 -175.81 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -78.29 143.38 37.04 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 115.808 -0.633 . . . . 72.42 110.62 176.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -58.88 -37.77 77.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.322 -0.399 . . . . 74.35 111.021 178.406 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -57.28 -47.68 80.84 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 115.958 -0.565 . . . . 64.13 111.32 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 0.544 ' O ' HG22 ' A' ' 113' ' ' THR . . . -75.94 -37.21 58.93 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-O 121.299 0.571 . . . . 73.25 110.172 179.243 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . 0.421 ' HA ' HD21 ' A' ' 106' ' ' LEU . . . -55.5 -39.62 70.68 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.439 -0.801 . . . . 54.13 110.717 179.768 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 57.0 mmtt -54.73 -42.25 71.35 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.99 -0.55 . . . . 74.23 111.35 177.379 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . 0.544 HG22 ' O ' ' A' ' 110' ' ' ALA . 0.8 OUTLIER -77.21 -34.89 56.01 Favored 'General case' 0 CA--C 1.529 0.17 0 CA-C-O 120.711 0.291 . . . . 74.22 110.527 -177.695 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 56.2 mt -65.77 -49.8 67.05 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-O 120.878 0.371 . . . . 61.01 110.52 179.751 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.456 HG21 HG12 ' A' ' 138' ' ' VAL . 57.4 t -65.46 -33.12 61.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.142 -0.481 . . . . 72.22 110.352 178.481 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -60.68 -61.05 2.87 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.885 -0.598 . . . . 63.5 110.031 178.72 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 6.4 ptm180 -61.15 -39.12 88.89 Favored 'General case' 0 CA--C 1.527 0.092 0 CA-C-N 115.953 -0.567 . . . . 65.24 110.488 -177.708 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -60.22 -52.62 64.54 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-O 120.899 0.38 . . . . 63.41 111.1 179.556 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 82.8 t60 -73.03 -14.1 61.35 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-O 120.965 0.412 . . . . 74.13 110.406 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 19.7 t60 -84.63 -31.42 24.24 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 115.855 -0.611 . . . . 75.14 110.689 178.331 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 32.8 m -96.5 -4.97 9.98 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.385 0 CA-C-N 116.711 -0.222 . . . . 74.54 111.303 -179.645 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' CYS . . . . . 0.425 ' SG ' ' HE1' ' A' ' 54' ' ' TYR . 50.9 t -65.12 114.74 16.31 Favored Pre-proline 0 CA--C 1.533 0.325 0 CA-C-N 116.273 -0.421 . . . . 72.12 110.094 178.461 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_endo -85.95 24.13 0.78 Allowed 'Trans proline' 0 C--N 1.35 0.634 0 C-N-CA 123.101 2.534 . . . . 74.45 113.938 -171.621 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' TYR . . . . . 0.536 ' O ' ' HB2' ' A' ' 125' ' ' SER . 7.4 m-85 -69.08 -35.58 76.66 Favored 'General case' 0 N--CA 1.464 0.245 0 C-N-CA 120.932 -0.307 . . . . 65.44 110.278 175.135 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . 0.536 ' HB2' ' O ' ' A' ' 124' ' ' TYR . 22.6 t 166.37 148.96 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.15 0 O-C-N 124.129 0.893 . . . . 62.44 109.41 175.49 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' ASN . . . . . 0.571 ' O ' ' HG2' ' A' ' 129' ' ' ARG . 96.4 m-20 -63.83 -31.35 72.49 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 108.473 -0.936 . . . . 73.42 108.473 170.009 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . 0.459 ' O ' HG23 ' A' ' 132' ' ' VAL . . . -61.59 -3.1 0.92 Allowed 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.038 -0.983 . . . . 54.1 112.209 179.594 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' THR . . . . . 0.454 HG22 ' O ' ' A' ' 125' ' ' SER . 4.3 t -87.39 -7.56 57.59 Favored 'General case' 0 CA--C 1.519 -0.237 0 N-CA-C 108.212 -1.032 . . . . 73.21 108.212 -174.08 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . 0.571 ' HG2' ' O ' ' A' ' 126' ' ' ASN . 8.6 ptp85 -132.98 -46.66 0.85 Allowed 'General case' 0 N--CA 1.438 -1.044 0 CA-C-N 114.498 -1.228 . . . . 72.04 111.074 -177.511 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 6.5 m120 -78.97 -35.7 42.65 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-O 120.817 0.341 . . . . 71.52 111.751 -176.02 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -99.01 -38.18 9.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 72.12 110.79 -173.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . 0.459 HG23 ' O ' ' A' ' 127' ' ' ALA . 95.6 t -100.12 134.17 40.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.79 0.329 . . . . 70.22 110.34 -174.759 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -77.0 94.71 4.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.226 0.536 . . . . 45.42 110.446 -179.581 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . 0.436 HG22 ' HB ' ' A' ' 97' ' ' VAL . 52.8 t -111.74 109.61 29.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.623 -0.717 . . . . 75.02 110.35 178.191 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 17.2 mtm180 -83.66 111.57 19.25 Favored 'General case' 0 C--O 1.236 0.391 0 N-CA-C 109.529 -0.545 . . . . 72.41 109.529 178.413 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 70.3 mt -87.86 102.57 14.82 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-O 121.575 0.702 . . . . 50.04 111.318 -177.66 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . 0.545 ' O ' ' HA ' ' A' ' 100' ' ' ARG . 0.2 OUTLIER -105.97 115.33 47.44 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-N 114.803 -1.09 . . . . 74.42 109.705 179.168 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . 0.456 HG12 HG21 ' A' ' 115' ' ' VAL . 5.7 m -94.21 138.84 19.64 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 CA-C-N 115.798 -0.637 . . . . 53.11 109.874 -178.416 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.312 -1.056 0 CA-C-N 115.331 -0.85 . . . . 73.13 110.862 -175.057 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 27.8 ptm . . . . . 0 C--O 1.236 0.361 0 CA-C-O 120.974 0.416 . . . . 72.42 110.924 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 36.3 t30 -99.26 83.82 2.91 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.734 -0.666 . . . . 61.35 109.797 179.525 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . 0.522 HG21 ' HB2' ' B' ' 6' ' ' LYS . 25.8 mm -71.5 125.39 29.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-O 121.241 0.543 . . . . 72.42 111.516 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.711 ' HG ' ' HD3' ' A' ' 87' ' ' PRO . 87.1 mt -83.17 -45.43 13.92 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.317 -0.856 . . . . 75.25 109.534 174.43 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 5' ' ' TYR . . . . . . . . . . . . . 45.2 t80 -141.23 129.84 22.74 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.006 -0.543 . . . . 75.45 110.752 -179.351 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . 0.522 ' HB2' HG21 ' B' ' 3' ' ' ILE . 30.8 ttmt -138.04 136.94 37.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.283 -0.417 . . . . 65.01 110.349 175.611 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 10.3 t -133.63 162.39 32.05 Favored 'General case' 0 C--O 1.239 0.505 0 CA-C-N 115.798 -0.637 . . . . 72.52 109.922 178.451 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . 0.43 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . . . -124.19 148.44 47.26 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 121.454 0.645 . . . . 64.22 111.784 -173.617 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . 0.632 ' HA ' ' H ' ' B' ' 22' ' ' HIS . . . -133.89 136.0 44.03 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.565 -0.743 . . . . 31.45 109.689 175.79 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 31.9 m -117.68 108.54 15.54 Favored 'General case' 0 N--CA 1.443 -0.819 0 N-CA-C 109.118 -0.697 . . . . 64.31 109.118 -174.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 70.8 m -112.58 117.35 32.07 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 115.963 -0.562 . . . . 74.14 110.528 -176.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 2.9 m -98.92 156.5 16.86 Favored 'General case' 0 C--O 1.242 0.682 0 CA-C-N 115.904 -0.589 . . . . 53.42 111.349 -175.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -73.75 72.77 1.26 Allowed Glycine 0 N--CA 1.446 -0.691 0 CA-C-N 115.728 -0.669 . . . . 71.12 111.714 174.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -63.67 -175.68 3.63 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 121.308 -0.472 . . . . 73.4 112.345 176.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -49.77 -38.87 35.86 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 120.879 0.371 . . . . 65.14 110.449 -177.859 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -125.7 -43.32 1.87 Allowed 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 108.348 -0.982 . . . . 65.33 108.348 171.261 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -169.71 161.84 35.22 Favored Glycine 0 C--N 1.341 0.824 0 N-CA-C 111.034 -0.827 . . . . 74.22 111.034 160.033 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 18' ' ' ARG . . . . . 0.477 ' HD3' ' O ' ' B' ' 28' ' ' VAL . 15.2 tpp85 -137.75 130.2 29.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 117.391 0.595 . . . . 74.4 110.203 176.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 19' ' ' ALA . . . . . 0.465 ' HB2' ' HB2' ' A' ' 56' ' ' ALA . . . -127.63 129.96 48.14 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.21 0.529 . . . . 64.21 110.274 177.253 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 85.4 m -139.24 110.06 6.74 Favored 'General case' 0 C--N 1.317 -0.813 0 N-CA-C 109.575 -0.528 . . . . 75.11 109.575 176.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 21' ' ' SER . . . . . 0.498 ' HB3' ' N ' ' B' ' 26' ' ' LEU . 32.5 t -65.88 108.64 2.22 Favored 'General case' 0 C--O 1.248 1.002 0 N-CA-C 107.158 -1.423 . . . . 74.21 107.158 178.005 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 22' ' ' HIS . . . . . 0.632 ' H ' ' HA ' ' B' ' 9' ' ' ALA . 4.9 t-80 -48.44 -38.16 19.05 Favored 'General case' 0 N--CA 1.468 0.451 0 O-C-N 125.98 2.05 . . . . 73.12 113.202 -163.864 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -79.97 25.82 0.36 Allowed 'General case' 0 C--N 1.315 -0.924 0 CA-C-O 121.02 0.438 . . . . 63.54 110.903 -174.259 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 24' ' ' GLN . . . . . 0.407 ' H ' ' C ' ' B' ' 22' ' ' HIS . 31.6 mm-40 67.83 26.98 7.51 Favored 'General case' 0 C--N 1.342 0.264 0 CA-C-N 115.299 -0.864 . . . . 71.43 110.028 175.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . 0.531 ' HE2' ' HA ' ' B' ' 25' ' ' LYS . 12.0 mmpt? -87.76 -32.15 19.26 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-N 115.069 -0.968 . . . . 41.25 110.409 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . 0.498 ' N ' ' HB3' ' B' ' 21' ' ' SER . 39.7 tp -152.68 149.55 28.53 Favored 'General case' 0 CA--C 1.509 -0.604 0 C-N-CA 120.549 -0.46 . . . . 71.52 111.164 -178.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -157.59 90.75 1.11 Allowed 'General case' 0 N--CA 1.448 -0.555 0 CA-C-O 121.388 0.613 . . . . 53.33 111.067 -178.037 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 28' ' ' VAL . . . . . 0.477 ' O ' ' HD3' ' B' ' 18' ' ' ARG . 3.1 m -146.4 157.99 11.25 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.363 0 CA-C-O 121.737 0.779 . . . . 74.12 112.15 178.239 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.461 ' HA ' ' HA ' ' B' ' 18' ' ' ARG . 15.0 tttp -95.5 139.06 32.31 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 114.641 -1.163 . . . . 64.31 108.888 169.224 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . 0.633 ' HB2' ' O ' ' B' ' 44' ' ' THR . 0.0 OUTLIER -122.44 172.19 8.52 Favored 'General case' 0 C--O 1.254 1.3 0 CA-C-O 120.941 0.4 . . . . 72.32 110.052 176.799 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 31' ' ' SER . . . . . 0.452 ' OG ' ' HB3' ' B' ' 41' ' ' ALA . 11.8 m -154.01 135.51 14.26 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-N 115.618 -0.719 . . . . 62.35 111.371 -171.287 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 32' ' ' ALA . . . . . 0.716 ' O ' ' HD3' ' B' ' 34' ' ' ARG . . . -58.0 157.58 15.56 Favored Pre-proline 0 C--O 1.224 -0.279 0 N-CA-C 109.276 -0.639 . . . . 75.13 109.276 175.262 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 33' ' ' PRO . . . . . 0.411 ' O ' ' N ' ' B' ' 35' ' ' GLU . 49.0 Cg_exo -58.24 4.93 0.09 OUTLIER 'Trans proline' 0 CA--C 1.543 0.936 0 C-N-CA 123.087 2.524 . . . . 71.3 116.014 -170.174 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 34' ' ' ARG . . . . . 0.716 ' HD3' ' O ' ' B' ' 32' ' ' ALA . 1.3 mpp_? 60.74 -69.25 0.04 OUTLIER 'General case' 0 N--CA 1.475 0.825 0 CA-C-N 118.625 0.648 . . . . 71.43 112.384 -175.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . 0.411 ' N ' ' O ' ' B' ' 33' ' ' PRO . 11.6 mm-40 -36.73 -37.82 0.15 Allowed 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 124.009 0.924 . . . . 72.42 112.541 179.119 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.463 HD23 HD12 ' B' ' 85' ' ' ILE . 2.8 mp -101.34 -27.94 12.89 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.95 -0.568 . . . . 63.52 111.125 -173.152 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 154.39 56.5 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.659 -0.781 . . . . 51.22 113.097 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . 0.467 ' H ' ' HA ' ' B' ' 34' ' ' ARG . . . -104.8 -140.39 10.37 Favored Glycine 0 N--CA 1.438 -1.23 0 N-CA-C 110.022 -1.231 . . . . 64.12 110.022 170.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -134.5 -23.89 1.61 Allowed 'General case' 0 C--N 1.311 -1.078 0 N-CA-C 112.029 0.381 . . . . 71.25 112.029 -177.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 40' ' ' GLY . . . . . 0.508 ' HA2' ' HG2' ' B' ' 34' ' ' ARG . . . 113.04 101.12 2.49 Favored Glycine 0 CA--C 1.51 -0.273 0 C-N-CA 120.092 -1.051 . . . . 53.13 111.956 -176.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . 0.452 ' HB3' ' OG ' ' B' ' 31' ' ' SER . . . -173.26 171.23 4.1 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-O 120.833 0.349 . . . . 45.11 110.988 -179.006 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -103.81 20.09 18.73 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.884 -0.598 . . . . 74.14 110.135 -178.73 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -77.94 -168.16 31.52 Favored Glycine 0 N--CA 1.451 -0.311 0 CA-C-N 115.207 -0.906 . . . . 72.12 112.699 -179.191 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 44' ' ' THR . . . . . 0.633 ' O ' ' HB2' ' B' ' 30' ' ' LEU . 14.5 p -104.41 140.47 37.87 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 110.161 -0.311 . . . . 35.03 110.161 -177.294 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 45' ' ' ASN . . . . . 0.474 HD22 ' HB2' ' B' ' 48' ' ' GLN . 0.0 OUTLIER -92.13 152.99 43.15 Favored Pre-proline 0 C--N 1.324 -0.524 0 N-CA-C 109.886 -0.413 . . . . 71.14 109.886 178.741 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 46' ' ' PRO . . . . . 0.751 ' HB3' ' SG ' ' A' ' 57' ' ' CYS . 97.0 Cg_exo -45.62 -60.72 0.75 Allowed 'Trans proline' 0 C--N 1.352 0.731 0 C-N-CA 123.757 2.971 . . . . 54.41 114.252 -172.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 47' ' ' GLU . . . . . 0.451 ' HB2' HG21 ' B' ' 83' ' ' VAL . 0.0 OUTLIER -63.95 -31.34 72.49 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.163 -0.472 . . . . 73.03 110.683 -174.475 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . 0.474 ' HB2' HD22 ' B' ' 45' ' ' ASN . 30.1 tt0 -65.64 -46.6 78.58 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.629 -0.714 . . . . 65.22 110.482 179.018 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 49' ' ' LEU . . . . . 0.553 HD12 ' HA3' ' A' ' 53' ' ' GLY . 1.6 tm? -66.12 -44.59 83.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.565 -0.743 . . . . 73.15 109.513 -178.442 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 31.3 t80 -63.92 -42.26 97.44 Favored 'General case' 0 C--O 1.223 -0.303 0 CA-C-N 115.904 -0.589 . . . . 74.53 111.247 179.108 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.1 -51.28 70.27 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 120.842 0.353 . . . . 63.22 110.905 178.013 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -58.27 -50.54 73.21 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 115.996 -0.547 . . . . 74.31 110.909 178.745 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . 0.508 ' HA3' HD12 ' A' ' 49' ' ' LEU . . . -61.21 -45.61 96.16 Favored Glycine 0 N--CA 1.447 -0.574 0 CA-C-N 115.723 -0.671 . . . . 73.22 112.296 179.775 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 54' ' ' TYR . . . . . 0.474 ' OH ' HG21 ' B' ' 128' ' ' THR . 1.8 t80 -59.81 -47.43 85.75 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 122.464 0.306 . . . . 73.14 110.62 -178.687 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 55' ' ' SER . . . . . 0.648 ' HB3' ' HB2' ' B' ' 81' ' ' ALA . 23.1 p -62.57 -50.31 71.79 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-O 120.753 0.311 . . . . 71.55 110.464 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 56' ' ' ALA . . . . . 0.466 ' HB1' HD21 ' A' ' 30' ' ' LEU . . . -58.96 -39.86 82.96 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 116.098 -0.501 . . . . 72.32 111.182 179.057 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 57' ' ' CYS . . . . . 0.586 ' SG ' ' HB3' ' A' ' 46' ' ' PRO . 74.2 m -70.6 -36.48 73.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.938 -0.574 . . . . 72.4 110.099 178.778 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 59.8 t80 -64.7 -34.24 77.84 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.0 -0.545 . . . . 52.32 110.055 -177.567 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -56.52 -46.13 80.74 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.162 -0.681 . . . . 64.41 109.162 176.495 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 60' ' ' SER . . . . . 0.516 ' HA ' ' HE3' ' B' ' 63' ' ' LYS . 7.6 t -78.29 -33.42 49.48 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 115.923 -0.581 . . . . 73.23 110.63 -178.682 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -64.0 -50.75 67.28 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.287 -0.415 . . . . 44.1 110.365 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 62' ' ' MET . . . . . 0.713 ' HG3' HD11 ' B' ' 73' ' ' LEU . 16.5 tpt -66.26 -27.42 67.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.88 -0.6 . . . . 71.0 109.913 177.504 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . 0.516 ' HE3' ' HA ' ' B' ' 60' ' ' SER . 21.3 ttpp -65.85 -35.12 79.77 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 115.87 -0.605 . . . . 72.03 110.186 174.304 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 52.0 t80 -73.5 -40.21 64.25 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 121.002 0.429 . . . . 73.11 109.857 173.159 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 48.0 t -55.9 -43.92 76.23 Favored 'Isoleucine or valine' 0 C--O 1.232 0.154 0 CA-C-N 115.88 -0.6 . . . . 75.05 110.333 177.206 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 66' ' ' ALA . . . . . 0.404 ' HA ' ' HG3' ' B' ' 71' ' ' GLN . . . -55.77 -30.68 61.68 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.844 -0.617 . . . . 74.13 110.518 178.802 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -68.82 -36.64 82.61 Favored Glycine 0 N--CA 1.451 -0.339 0 CA-C-N 115.657 -0.701 . . . . 75.04 112.224 -179.015 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 68' ' ' GLN . . . . . 0.415 ' HG3' HD22 ' B' ' 69' ' ' ASN . 11.0 pt20 -92.25 -16.32 26.31 Favored 'General case' 0 CA--C 1.52 -0.176 0 CA-C-O 121.713 0.768 . . . . 64.5 109.303 -178.84 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 69' ' ' ASN . . . . . 0.415 HD22 ' HG3' ' B' ' 68' ' ' GLN . 0.9 OUTLIER -91.39 -3.16 57.0 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 114.916 -1.038 . . . . 65.21 110.552 178.219 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 61.35 30.19 18.92 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 115.905 -0.589 . . . . 73.12 111.488 176.473 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . 0.404 ' HG3' ' HA ' ' B' ' 66' ' ' ALA . 3.4 pt20 -122.81 169.46 11.08 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.792 -0.64 . . . . 74.24 110.234 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 36.8 p -123.5 143.36 50.22 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.254 -0.43 . . . . 74.12 110.155 177.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 73' ' ' LEU . . . . . 0.713 HD11 ' HG3' ' B' ' 62' ' ' MET . 96.3 mt -109.27 137.97 20.36 Favored Pre-proline 0 C--N 1.326 -0.431 0 CA-C-N 116.481 -0.327 . . . . 75.15 110.202 179.133 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 74' ' ' PRO . . . . . 0.669 ' HD2' HD11 ' B' ' 103' ' ' LEU . 27.5 Cg_exo -64.14 146.92 91.35 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.879 2.386 . . . . 62.01 112.573 178.651 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -73.55 -16.62 61.26 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.664 0.745 . . . . 71.53 111.202 178.372 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -89.66 15.24 9.9 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 114.813 -1.085 . . . . 60.22 111.302 -170.094 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 77' ' ' THR . . . . . 0.48 ' HB ' HD12 ' B' ' 103' ' ' LEU . 10.2 t -90.51 165.5 13.76 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-O 121.087 0.47 . . . . 73.25 112.139 -174.147 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 15.9 m -155.71 149.29 25.02 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 115.65 -0.705 . . . . 71.23 109.913 178.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 69.1 t -125.56 127.05 71.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 N-CA-C 109.383 -0.599 . . . . 54.24 109.383 174.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 5.9 m -108.06 108.24 19.25 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 120.915 0.388 . . . . 72.42 110.364 179.627 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 81' ' ' ALA . . . . . 0.648 ' HB2' ' HB3' ' B' ' 55' ' ' SER . . . -93.32 106.7 18.63 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.937 -0.574 . . . . 73.43 109.593 178.123 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 82' ' ' GLU . . . . . 0.471 ' HA ' ' HA ' ' A' ' 8' ' ' ALA . 30.4 tt0 -109.18 107.58 17.9 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 109.001 -0.741 . . . . 71.23 109.001 178.203 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . 0.632 HG23 HG22 ' B' ' 97' ' ' VAL . 9.4 p -103.45 142.72 16.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.921 -0.581 . . . . 71.44 110.654 -173.38 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 84' ' ' GLY . . . . . 0.434 ' HA2' ' HA ' ' A' ' 6' ' ' LYS . . . -137.26 166.8 24.9 Favored Glycine 0 N--CA 1.438 -1.23 0 N-CA-C 111.489 -0.644 . . . . 52.45 111.489 178.687 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 85' ' ' ILE . . . . . 0.463 HD12 HD23 ' B' ' 36' ' ' LEU . 0.0 OUTLIER -147.95 137.98 16.68 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.935 0 N-CA-C 109.338 -0.616 . . . . 73.1 109.338 -179.436 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 86' ' ' GLY . . . . . 0.455 ' HA2' ' HG ' ' A' ' 4' ' ' LEU . . . -151.0 169.84 30.74 Favored Glycine 0 CA--C 1.517 0.208 0 O-C-N 123.899 0.75 . . . . 52.3 111.376 -178.858 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 87' ' ' PRO . . . . . 0.666 ' HD3' ' HG ' ' A' ' 4' ' ' LEU . 1.1 Cg_endo -80.27 126.17 6.11 Favored 'Trans proline' 0 N--CA 1.457 -0.654 0 C-N-CA 122.642 2.228 . . . . 61.3 111.748 -176.535 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 88' ' ' ASN . . . . . 0.402 ' HB2' ' HB2' ' B' ' 94' ' ' ALA . 24.0 t-20 -83.29 144.98 29.35 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.186 -0.672 . . . . 72.3 109.186 173.833 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -62.03 -16.16 49.76 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.486 -0.325 . . . . 65.22 111.837 -175.596 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -67.76 -22.5 65.21 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-O 121.374 0.607 . . . . 74.05 110.775 177.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.49 35.49 3.31 Favored Glycine 0 N--CA 1.452 -0.273 0 CA-C-N 115.718 -0.673 . . . . 72.2 112.03 -177.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . -143.51 -171.09 13.57 Favored Glycine 0 N--CA 1.45 -0.392 0 N-CA-C 111.026 -0.83 . . . . 70.13 111.026 177.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 93' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -100.86 144.14 30.17 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 117.206 0.503 . . . . 73.12 110.49 177.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 94' ' ' ALA . . . . . 0.402 ' HB2' ' HB2' ' B' ' 88' ' ' ASN . . . -126.7 132.09 51.23 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.929 -0.578 . . . . 62.21 109.659 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 95' ' ' LEU . . . . . 0.409 HD13 ' HB ' ' B' ' 85' ' ' ILE . 4.1 mm? -96.81 132.82 42.15 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.165 -0.47 . . . . 74.21 110.692 -177.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 96' ' ' ASP . . . . . 0.519 ' HB2' ' SD ' ' A' ' 1' ' ' MET . 35.4 t70 -121.19 110.05 15.71 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.16 -0.927 . . . . 73.53 109.273 178.35 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 97' ' ' VAL . . . . . 0.692 ' HB ' HG22 ' B' ' 134' ' ' VAL . 45.3 t -108.65 110.53 32.39 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.962 0 C-N-CA 120.688 -0.405 . . . . 65.34 110.895 -176.613 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 98' ' ' GLU . . . . . 0.449 ' HG2' ' HD3' ' B' ' 135' ' ' ARG . 46.3 mt-10 -88.28 102.7 15.1 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.465 -0.568 . . . . 74.42 109.465 175.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 13.5 tp -97.75 106.76 19.11 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.329 -0.619 . . . . 61.12 109.329 -179.09 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 100' ' ' ARG . . . . . 0.625 ' HA ' ' O ' ' B' ' 137' ' ' VAL . 74.3 mtt180 -101.47 117.54 35.15 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.451 -0.795 . . . . 64.11 111.024 -173.205 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 101' ' ' VAL . . . . . . . . . . . . . 88.5 t -102.58 107.56 22.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.886 -0.597 . . . . 60.12 110.867 -176.422 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 102' ' ' ALA . . . . . 0.435 ' HA ' ' HB3' ' B' ' 139' ' ' ALA . . . -103.59 101.52 11.39 Favored 'General case' 0 C--O 1.236 0.343 0 N-CA-C 109.756 -0.461 . . . . 53.32 109.756 176.377 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 103' ' ' LEU . . . . . 0.811 HD23 HD22 ' B' ' 106' ' ' LEU . 27.3 tp -119.34 118.19 32.64 Favored Pre-proline 0 C--N 1.327 -0.39 0 N-CA-C 109.634 -0.506 . . . . 72.24 109.634 -177.664 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 104' ' ' PRO . . . . . 0.523 ' HD2' HD12 ' B' ' 103' ' ' LEU . 60.6 Cg_endo -72.07 151.53 55.81 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.597 2.198 . . . . 74.24 112.043 -177.525 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 105' ' ' GLY . . . . . . . . . . . . . . . 72.11 15.04 76.48 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.863 -0.684 . . . . 72.34 111.971 -178.308 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 106' ' ' LEU . . . . . 0.811 HD22 HD23 ' B' ' 103' ' ' LEU . 34.2 tp -129.92 139.1 51.19 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.081 0.467 . . . . 60.53 111.33 -176.58 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -86.75 147.04 26.02 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.484 -0.78 . . . . 63.12 110.587 175.127 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -59.64 -37.56 79.01 Favored 'General case' 0 C--O 1.237 0.428 0 CA-C-N 116.29 -0.414 . . . . 34.32 111.111 -179.539 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -55.95 -51.68 66.82 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 115.896 -0.593 . . . . 64.51 110.934 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 110' ' ' ALA . . . . . 0.579 ' O ' HG22 ' B' ' 113' ' ' THR . . . -71.46 -35.76 70.96 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 115.949 -0.569 . . . . 72.03 110.477 177.678 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 111' ' ' ALA . . . . . 0.423 ' O ' HG23 ' B' ' 115' ' ' VAL . . . -54.73 -40.05 68.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.977 -0.556 . . . . 64.14 110.664 -179.875 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 112' ' ' LYS . . . . . . . . . . . . . 62.1 mttp -55.32 -39.61 70.18 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.156 -0.475 . . . . 74.45 111.46 178.567 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 113' ' ' THR . . . . . 0.579 HG22 ' O ' ' B' ' 110' ' ' ALA . 1.0 OUTLIER -79.77 -34.04 40.12 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 110.285 -0.265 . . . . 72.03 110.285 -178.67 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 114' ' ' LEU . . . . . 0.481 ' HA ' ' HD3' ' B' ' 117' ' ' ARG . 40.5 mt -65.93 -40.27 91.27 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-O 120.99 0.424 . . . . 70.23 110.494 179.059 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 115' ' ' VAL . . . . . 0.654 HG21 HG12 ' B' ' 138' ' ' VAL . 95.4 t -68.62 -32.64 55.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.868 -0.606 . . . . 63.55 110.416 177.808 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -65.04 -59.78 3.76 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 116.112 -0.495 . . . . 75.43 110.41 177.515 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 117' ' ' ARG . . . . . 0.481 ' HD3' ' HA ' ' B' ' 114' ' ' LEU . 8.8 ptm180 -58.06 -38.8 77.01 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 115.893 -0.594 . . . . 70.2 110.507 -179.275 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -59.71 -45.74 91.2 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.827 -0.624 . . . . 61.11 110.388 174.779 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 49.8 m80 -80.94 13.81 2.52 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 116.009 -0.542 . . . . 74.31 111.686 177.111 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 45.4 t-80 -104.37 -38.72 6.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.812 0.339 . . . . 61.52 110.973 176.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 29.5 m -88.03 -42.4 14.94 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.479 0 N-CA-C 112.792 0.664 . . . . 63.42 112.792 -173.736 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 122' ' ' CYS . . . . . . . . . . . . . 58.5 m -82.44 134.95 47.33 Favored Pre-proline 0 CA--C 1.537 0.45 0 O-C-N 122.279 -0.263 . . . . 74.53 111.31 -174.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 123' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_exo -53.44 -58.05 1.63 Allowed 'Trans proline' 0 C--N 1.355 0.896 0 C-N-CA 123.257 2.638 . . . . 65.25 113.147 -179.22 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 124' ' ' TYR . . . . . 0.478 ' O ' ' HB ' ' B' ' 128' ' ' THR . 6.7 m-85 . . . . . 0 N--CA 1.471 0.586 0 CA-C-O 120.956 0.408 . . . . 65.35 110.898 -178.481 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 128' ' ' THR . . . . . 0.478 ' HB ' ' O ' ' B' ' 124' ' ' TYR . 1.9 t . . . . . 0 C--O 1.226 -0.181 0 N-CA-C 109.21 -0.663 . . . . 55.14 109.21 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 129' ' ' ARG . . . . . 0.447 ' HG3' ' N ' ' B' ' 130' ' ' ASN . 23.5 ptt180 -106.58 -47.93 3.65 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 115.758 -0.656 . . . . 75.21 109.981 -177.577 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 130' ' ' ASN . . . . . 0.447 ' N ' ' HG3' ' B' ' 129' ' ' ARG . 86.2 m-20 -78.87 -18.93 53.12 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.287 -0.87 . . . . 74.14 111.742 -177.515 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 131' ' ' ASN . . . . . 0.451 HD21 ' HB2' ' A' ' 126' ' ' ASN . 13.7 t-20 -113.92 -38.49 4.2 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.15 -0.477 . . . . 75.43 110.812 -177.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 132' ' ' VAL . . . . . 0.51 HG12 ' H ' ' B' ' 133' ' ' ALA . 14.5 t -114.91 170.8 4.86 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.341 0 CA-C-N 115.929 -0.578 . . . . 52.13 109.74 -175.354 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 133' ' ' ALA . . . . . 0.51 ' H ' HG12 ' B' ' 132' ' ' VAL . . . -97.61 88.92 4.48 Favored 'General case' 0 C--O 1.243 0.717 0 CA-C-O 121.828 0.823 . . . . 72.23 111.613 -177.21 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 134' ' ' VAL . . . . . 0.692 HG22 ' HB ' ' B' ' 97' ' ' VAL . 77.7 t -117.56 114.51 45.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 114.979 -1.01 . . . . 61.1 110.871 177.818 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 135' ' ' ARG . . . . . 0.449 ' HD3' ' HG2' ' B' ' 98' ' ' GLU . 74.8 ttt180 -72.49 100.0 2.62 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.136 -0.938 . . . . 74.32 109.163 173.707 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 78.8 mt -76.65 107.24 8.8 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.15 -0.477 . . . . 72.41 109.922 176.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 137' ' ' VAL . . . . . 0.625 ' O ' ' HA ' ' B' ' 100' ' ' ARG . 0.2 OUTLIER -122.83 118.24 54.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.455 -0.793 . . . . 72.22 110.343 -174.713 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 138' ' ' VAL . . . . . 0.654 HG12 HG21 ' B' ' 115' ' ' VAL . 3.1 m -99.62 138.54 23.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 115.533 -0.758 . . . . 70.52 110.747 -176.398 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 139' ' ' ALA . . . . . 0.435 ' HB3' ' HA ' ' B' ' 102' ' ' ALA . . . . . . . . 0 C--O 1.253 1.288 0 CA-C-O 118.551 -0.738 . . . . 71.35 110.45 -177.087 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.511 ' HE3' HD13 ' A' ' 3' ' ' ILE . 20.1 ptt? . . . . . 0 N--CA 1.486 1.344 0 N-CA-C 110.547 -0.168 . . . . 71.43 110.547 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 45.6 t30 -71.73 77.65 0.85 Allowed 'General case' 0 C--O 1.234 0.244 0 CA-C-O 121.298 0.571 . . . . 75.52 110.384 175.566 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.618 HG21 ' HB2' ' A' ' 6' ' ' LYS . 26.6 mm -71.29 136.37 25.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 115.339 -0.846 . . . . 51.02 111.103 174.473 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.69 ' HG ' ' HD3' ' B' ' 87' ' ' PRO . 86.5 mt -84.08 -46.78 11.61 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.044 -0.526 . . . . 74.21 109.799 175.526 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 34.1 t80 -137.34 128.22 27.32 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 116.059 -0.519 . . . . 54.43 110.296 -178.553 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.618 ' HB2' HG21 ' A' ' 3' ' ' ILE . 29.4 ttmt -136.02 142.09 44.41 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.222 0.534 . . . . 62.42 111.075 179.289 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.441 HG21 ' HB2' ' B' ' 48' ' ' GLN . 9.5 t -142.79 139.72 31.08 Favored 'General case' 0 C--O 1.238 0.458 0 CA-C-N 115.639 -0.709 . . . . 73.02 109.524 -178.471 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.536 ' HA ' ' HA ' ' B' ' 82' ' ' GLU . . . -110.63 147.76 33.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.925 0.393 . . . . 64.34 111.554 -174.58 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.709 ' HA ' ' HA ' ' A' ' 21' ' ' SER . . . -143.84 121.16 11.59 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 115.89 -0.596 . . . . 65.14 110.375 177.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.494 ' HA ' ' HA ' ' B' ' 80' ' ' THR . 13.5 t -99.92 130.07 46.06 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 116.091 -0.504 . . . . 73.43 109.927 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 52.6 p -117.47 113.45 22.06 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.955 -0.566 . . . . 71.32 110.006 179.443 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.6 m -97.11 163.47 12.92 Favored 'General case' 0 C--O 1.239 0.518 0 CA-C-N 115.998 -0.546 . . . . 72.12 111.377 -175.376 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.513 ' HA2' HD21 ' B' ' 59' ' ' LEU . . . -78.79 74.02 2.2 Favored Glycine 0 N--CA 1.449 -0.488 0 CA-C-N 115.893 -0.594 . . . . 62.44 112.065 175.114 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -68.47 -147.0 0.16 Allowed Glycine 0 CA--C 1.524 0.622 0 C-N-CA 121.153 -0.546 . . . . 62.02 112.089 172.744 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 17.7 tpp180 -62.06 -52.08 65.37 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 117.085 0.442 . . . . 73.04 110.289 177.692 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.535 ' HB3' ' HA ' ' A' ' 31' ' ' SER . 10.1 t0 -124.8 -42.86 2.03 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 108.62 -0.881 . . . . 74.22 108.62 177.877 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -164.81 152.76 22.58 Favored Glycine 0 C--N 1.339 0.744 0 C-N-CA 120.389 -0.91 . . . . 73.12 112.485 163.202 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.458 ' HD3' ' HB2' ' A' ' 29' ' ' LYS . 22.8 tpp180 -116.52 149.94 38.75 Favored 'General case' 0 N--CA 1.465 0.313 0 N-CA-C 109.076 -0.713 . . . . 73.24 109.076 175.007 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -146.88 123.83 11.35 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 120.747 0.308 . . . . 71.12 110.367 177.149 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 86.5 m -145.84 110.56 5.14 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.451 -0.341 . . . . 63.53 110.531 -176.542 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.709 ' HA ' ' HA ' ' A' ' 9' ' ' ALA . 30.7 t -71.1 112.07 6.95 Favored 'General case' 0 C--O 1.246 0.892 0 N-CA-C 107.642 -1.244 . . . . 62.3 107.642 177.62 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 66.9 t60 -63.77 -9.9 16.98 Favored 'General case' 0 N--CA 1.469 0.49 0 O-C-N 125.779 1.924 . . . . 71.44 111.992 -165.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.479 ' HB2' ' HE3' ' A' ' 25' ' ' LYS . 38.2 m-20 -80.26 12.64 2.78 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.264 -0.643 . . . . 73.43 109.264 172.793 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 33.5 mm-40 67.56 14.5 9.59 Favored 'General case' 0 C--N 1.34 0.152 0 CA-C-N 115.352 -0.84 . . . . 72.53 110.634 178.502 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.479 ' HE3' ' HB2' ' A' ' 23' ' ' ASP . 17.7 ptpt -92.71 -12.32 31.73 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 116.104 -0.498 . . . . 73.44 111.17 -177.846 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.463 ' HB3' ' CB ' ' A' ' 21' ' ' SER . 58.0 tp -146.64 139.57 25.37 Favored 'General case' 0 CA--C 1.505 -0.759 0 C-N-CA 119.595 -0.842 . . . . 74.42 111.247 173.654 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -153.02 91.66 1.56 Allowed 'General case' 0 N--CA 1.445 -0.678 0 CA-C-N 114.968 -1.015 . . . . 74.13 110.23 -178.571 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 3.3 m -145.72 178.43 1.31 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.207 0 CA-C-O 121.683 0.754 . . . . 62.12 111.523 179.044 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.458 ' HB2' ' HD3' ' A' ' 18' ' ' ARG . 1.3 tmtt? -139.89 143.22 36.57 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 114.792 -1.095 . . . . 62.42 108.837 177.621 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.558 HD21 ' HB1' ' B' ' 56' ' ' ALA . 0.0 OUTLIER -126.26 175.43 7.81 Favored 'General case' 0 C--O 1.251 1.138 0 CA-C-O 121.35 0.595 . . . . 64.12 111.522 -175.038 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.535 ' HA ' ' HB3' ' A' ' 16' ' ' ASP . 35.9 t -151.74 126.32 9.5 Favored 'General case' 0 N--CA 1.446 -0.645 0 CA-C-N 114.765 -1.107 . . . . 75.34 111.033 -176.163 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.654 ' HA ' ' HD2' ' A' ' 46' ' ' PRO . . . -61.23 142.27 93.55 Favored Pre-proline 0 N--CA 1.449 -0.5 0 N-CA-C 109.181 -0.674 . . . . 52.21 109.181 170.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 30.7 Cg_endo -62.28 93.74 0.13 Allowed 'Trans proline' 0 N--CA 1.459 -0.552 0 C-N-CA 121.741 1.627 . . . . 73.33 110.22 -178.107 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.5 ' HG3' ' N ' ' A' ' 40' ' ' GLY . 2.3 tmt_? -69.77 77.3 0.45 Allowed 'General case' 0 N--CA 1.455 -0.184 0 CA-C-O 122.005 0.907 . . . . 50.12 110.474 -173.172 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -136.59 -35.45 0.73 Allowed 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 113.958 -1.473 . . . . 75.14 108.539 175.47 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.432 HD21 ' HB2' ' B' ' 4' ' ' LEU . 6.4 mp -106.46 -52.97 2.7 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 115.143 -0.935 . . . . 63.44 110.144 -176.562 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -169.1 61.88 0.19 Allowed Glycine 0 C--N 1.337 0.595 0 C-N-CA 120.476 -0.869 . . . . 72.22 113.609 177.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -110.26 -140.24 8.52 Favored Glycine 0 C--N 1.336 0.583 0 N-CA-C 111.324 -0.711 . . . . 73.44 111.324 173.391 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -133.45 -22.72 1.93 Allowed 'General case' 0 N--CA 1.472 0.628 0 N-CA-C 111.99 0.367 . . . . 63.22 111.99 -176.245 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.5 ' N ' ' HG3' ' A' ' 34' ' ' ARG . . . 95.26 100.47 1.79 Allowed Glycine 0 C--N 1.332 0.324 0 C-N-CA 121.317 -0.468 . . . . 45.53 113.276 178.225 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.472 ' HB3' ' HB2' ' A' ' 31' ' ' SER . . . -168.07 168.98 11.5 Favored 'General case' 0 C--O 1.234 0.269 0 C-N-CA 122.56 0.344 . . . . 44.21 110.108 174.745 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.403 ' O ' ' HG3' ' A' ' 42' ' ' GLU . 11.8 pt-20 -95.82 98.38 10.39 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.924 0.869 . . . . 71.23 109.171 172.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -156.82 -167.31 17.81 Favored Glycine 0 C--N 1.311 -0.852 0 CA-C-N 114.819 -1.082 . . . . 55.55 111.759 177.474 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.519 ' O ' ' HB2' ' A' ' 30' ' ' LEU . 20.6 p -91.27 146.64 23.65 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 110.126 -0.324 . . . . 74.01 110.126 -179.003 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 11.1 m120 -82.82 126.39 73.1 Favored Pre-proline 0 C--N 1.327 -0.398 0 N-CA-C 109.545 -0.539 . . . . 72.33 109.545 -177.641 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.654 ' HD2' ' HA ' ' A' ' 32' ' ' ALA . 9.6 Cg_endo -50.57 -44.4 40.28 Favored 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 123.209 2.606 . . . . 63.04 112.985 -176.884 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -60.57 -48.78 80.25 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-O 121.76 0.791 . . . . 62.13 109.187 179.174 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.551 ' OE1' HG23 ' B' ' 7' ' ' THR . 13.9 tp60 -68.05 -30.61 69.86 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 114.752 -1.113 . . . . 72.35 110.791 -179.258 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.556 HD12 ' HA3' ' B' ' 53' ' ' GLY . 2.5 tm? -66.48 -46.63 75.66 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.951 -0.759 . . . . 71.11 108.951 -178.439 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 18.4 t80 -60.96 -49.51 77.15 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.081 -0.509 . . . . 64.45 109.952 173.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.402 ' HB1' ' HB1' ' A' ' 81' ' ' ALA . . . -54.73 -41.97 71.01 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 115.987 -0.551 . . . . 52.03 111.077 178.875 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -71.33 -48.37 50.78 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 116.298 -0.41 . . . . 51.43 110.818 -178.251 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.546 ' HA3' HD12 ' B' ' 49' ' ' LEU . . . -60.71 -39.85 97.23 Favored Glycine 0 N--CA 1.451 -0.326 0 CA-C-N 115.896 -0.593 . . . . 45.35 111.996 179.715 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -72.03 -40.48 68.41 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 110.013 -0.366 . . . . 71.4 110.013 178.327 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 11.6 t -58.86 -40.05 83.16 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.138 0.494 . . . . 50.31 109.701 178.388 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.524 ' HB1' HD21 ' B' ' 30' ' ' LEU . . . -75.41 -41.2 56.63 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 115.762 -0.654 . . . . 72.41 110.664 177.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 40.1 t -58.64 -36.44 74.12 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.965 -0.561 . . . . 74.4 110.077 177.431 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 23.2 t80 -59.86 -36.69 77.39 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.839 -0.618 . . . . 64.12 110.204 -178.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 95.2 mt -64.03 -45.25 89.72 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.818 -0.628 . . . . 74.12 109.982 176.299 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.468 ' O ' ' HB3' ' A' ' 63' ' ' LYS . 9.2 t -67.33 -33.53 75.45 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-N 115.872 -0.604 . . . . 74.4 110.298 -179.703 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.423 ' O ' HG23 ' A' ' 65' ' ' VAL . . . -65.44 -51.06 62.87 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.115 -0.493 . . . . 64.15 109.99 177.036 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.9 -32.17 73.39 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.254 -0.43 . . . . 61.32 110.619 177.108 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.468 ' HB3' ' O ' ' A' ' 60' ' ' SER . 40.2 tttp -58.36 -51.99 67.48 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.799 -0.637 . . . . 62.32 109.996 174.74 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 54.7 t80 -69.83 -42.92 72.99 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 115.73 -0.668 . . . . 70.35 110.921 -177.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.423 HG23 ' O ' ' A' ' 61' ' ' ALA . 54.6 t -56.97 -52.08 60.36 Favored 'Isoleucine or valine' 0 C--O 1.233 0.196 0 CA-C-O 120.781 0.324 . . . . 51.41 110.194 178.881 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -57.95 -34.97 70.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.283 0.563 . . . . 55.45 109.639 177.338 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -68.47 -31.06 73.41 Favored Glycine 0 N--CA 1.451 -0.324 0 CA-C-N 114.907 -1.042 . . . . 65.01 112.251 -177.368 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -95.42 -15.23 23.15 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.192 -0.669 . . . . 73.33 109.192 -179.747 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -94.3 2.0 55.88 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 115.081 -0.963 . . . . 73.35 110.51 176.408 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.459 ' N ' ' HD3' ' A' ' 70' ' ' LYS . 19.6 mmtm 64.66 23.11 12.74 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.41 -0.814 . . . . 70.5 110.863 171.682 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -117.75 165.89 13.09 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.239 -0.892 . . . . 65.11 109.511 178.687 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 15.6 p -126.72 141.41 51.85 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 116.434 -0.348 . . . . 71.13 110.291 176.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.508 HD22 HD21 ' A' ' 103' ' ' LEU . 89.5 mt -107.85 144.07 28.59 Favored Pre-proline 0 C--N 1.324 -0.526 0 CA-C-N 115.953 -0.567 . . . . 63.13 109.542 179.558 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.417 ' O ' HG22 ' A' ' 77' ' ' THR . 52.8 Cg_exo -56.5 134.31 63.55 Favored 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 122.738 2.292 . . . . 75.32 112.214 -179.35 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -76.98 -1.47 28.93 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-O 121.322 0.582 . . . . 74.43 110.936 179.384 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -85.55 2.61 44.18 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.458 -0.792 . . . . 72.44 110.689 179.16 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.494 ' HB ' HD12 ' A' ' 103' ' ' LEU . 10.3 t -77.52 160.68 28.46 Favored 'General case' 0 C--O 1.238 0.48 0 CA-C-N 115.574 -0.739 . . . . 73.42 111.919 -175.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 32.3 m -154.93 149.42 26.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.71 -0.677 . . . . 65.01 110.13 179.291 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 97.5 t -127.33 140.24 49.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 N-CA-C 108.687 -0.857 . . . . 73.54 108.687 176.526 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 60.6 m -128.6 114.65 16.96 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.784 0.325 . . . . 61.0 110.829 -178.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.402 ' HB1' ' HB1' ' A' ' 51' ' ' ALA . . . -94.57 104.59 16.54 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.038 -0.528 . . . . 75.0 110.048 177.003 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.523 ' HB3' ' HB3' ' A' ' 98' ' ' GLU . 42.3 tt0 -101.31 107.75 19.2 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.674 -0.693 . . . . 74.0 109.426 179.272 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.546 HG23 HG22 ' A' ' 97' ' ' VAL . 8.0 p -107.98 139.77 28.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 121.076 0.465 . . . . 74.25 111.465 -171.623 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -134.73 157.32 22.92 Favored Glycine 0 N--CA 1.446 -0.689 0 N-CA-C 111.338 -0.705 . . . . 64.22 111.338 176.01 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.409 HD11 ' CD2' ' A' ' 93' ' ' PHE . 0.0 OUTLIER -136.22 132.66 49.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 N-CA-C 109.505 -0.554 . . . . 71.32 109.505 -179.522 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . 0.528 ' HA2' ' HG ' ' B' ' 4' ' ' LEU . . . -145.77 170.0 27.11 Favored Glycine 0 C--N 1.333 0.405 0 O-C-N 123.926 0.766 . . . . 64.2 111.309 -176.175 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.634 ' HD3' ' HG ' ' B' ' 4' ' ' LEU . 1.1 Cg_endo -79.86 128.9 7.81 Favored 'Trans proline' 0 N--CA 1.46 -0.45 0 C-N-CA 122.824 2.349 . . . . 75.13 111.999 -177.327 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . 0.495 ' HB2' ' HB2' ' A' ' 94' ' ' ALA . 51.5 t30 -79.52 147.94 32.0 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 109.551 -0.536 . . . . 63.43 109.551 174.662 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -62.8 -9.55 9.85 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.066 0.46 . . . . 74.31 111.775 -177.531 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -75.84 -21.1 57.59 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.961 -0.563 . . . . 62.35 111.267 177.284 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.2 23.09 8.27 Favored Glycine 0 CA--C 1.516 0.135 0 N-CA-C 111.601 -0.6 . . . . 52.42 111.601 -176.169 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -131.51 -159.0 9.32 Favored Glycine 0 N--CA 1.451 -0.338 0 N-CA-C 111.02 -0.832 . . . . 74.12 111.02 178.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.409 ' CD2' HD11 ' A' ' 85' ' ' ILE . 59.3 m-85 -104.75 155.47 18.86 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 117.068 0.434 . . . . 72.25 110.7 179.254 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.495 ' HB2' ' HB2' ' A' ' 88' ' ' ASN . . . -142.46 141.59 32.19 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.499 -0.773 . . . . 73.43 109.495 179.831 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -102.32 146.87 27.41 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.069 0.462 . . . . 75.45 110.931 -178.333 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -134.9 110.33 9.07 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 108.205 -1.035 . . . . 62.1 108.205 176.085 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.835 ' HB ' HG22 ' A' ' 134' ' ' VAL . 45.5 t -112.14 110.64 32.94 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-O 121.057 0.456 . . . . 41.42 111.102 -177.133 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.523 ' HB3' ' HB3' ' A' ' 82' ' ' GLU . 32.3 tp10 -85.52 98.02 10.38 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 108.43 -0.952 . . . . 51.52 108.43 175.794 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 23.7 tp -96.63 107.04 19.41 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-O 121.07 0.462 . . . . 73.33 110.099 -176.797 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.514 ' HA ' ' O ' ' A' ' 137' ' ' VAL . 20.0 ttt85 -100.34 119.96 39.22 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.123 -0.944 . . . . 73.43 110.581 -172.664 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 46.8 t -111.16 102.18 13.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 N-CA-C 110.393 -0.225 . . . . 72.23 110.393 -176.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -98.9 101.63 13.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.799 0.333 . . . . 73.1 110.537 -179.197 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.888 HD23 HD22 ' A' ' 106' ' ' LEU . 36.1 tp -116.77 118.96 36.12 Favored Pre-proline 0 C--N 1.328 -0.346 0 N-CA-C 108.936 -0.765 . . . . 73.31 108.936 177.617 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . 0.568 ' HD2' HD12 ' A' ' 103' ' ' LEU . 66.0 Cg_endo -75.21 152.13 39.44 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.605 2.203 . . . . 73.52 112.473 -175.847 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 70.91 15.2 73.83 Favored Glycine 0 CA--C 1.521 0.432 0 CA-C-N 115.795 -0.639 . . . . 54.45 112.335 -179.063 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.888 HD22 HD23 ' A' ' 103' ' ' LEU . 31.8 tp -119.02 144.28 46.61 Favored 'General case' 0 C--O 1.236 0.377 0 C-N-CA 122.956 0.502 . . . . 65.03 111.165 -174.784 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . 0.438 ' HB3' ' H ' ' A' ' 110' ' ' ALA . 2.5 t70 -77.81 162.01 27.22 Favored 'General case' 0 CA--C 1.513 -0.47 0 CA-C-N 116.182 -0.463 . . . . 72.42 110.269 176.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.522 ' O ' ' HG2' ' A' ' 112' ' ' LYS . . . -65.94 -45.7 80.84 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 115.269 -0.878 . . . . 74.35 109.981 170.04 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -62.92 -49.54 74.39 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 115.658 -0.701 . . . . 64.13 110.715 -177.052 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 0.557 ' O ' HG22 ' A' ' 113' ' ' THR . . . -65.06 -41.87 94.73 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.654 -0.703 . . . . 73.25 109.724 179.461 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . 0.462 ' HA ' HD21 ' A' ' 106' ' ' LEU . . . -54.77 -45.99 74.33 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.842 -0.617 . . . . 54.13 111.008 176.465 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . 0.522 ' HG2' ' O ' ' A' ' 108' ' ' ALA . 32.5 mmtp -51.99 -38.09 55.49 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 115.794 -0.639 . . . . 74.23 111.324 178.837 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . 0.557 HG22 ' O ' ' A' ' 110' ' ' ALA . 0.7 OUTLIER -82.07 -35.42 28.7 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 121.162 -0.215 . . . . 74.22 110.957 -177.787 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.501 ' HG ' ' O ' ' A' ' 110' ' ' ALA . 44.2 mt -63.16 -50.83 68.85 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 121.122 0.486 . . . . 61.01 109.979 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.541 HG21 HG12 ' A' ' 138' ' ' VAL . 58.6 t -61.97 -32.82 55.47 Favored 'Isoleucine or valine' 0 C--O 1.238 0.488 0 CA-C-N 115.518 -0.764 . . . . 72.22 110.353 179.013 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -65.99 -60.69 2.59 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 115.967 -0.56 . . . . 63.5 110.891 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . 0.513 ' HG2' ' O ' ' A' ' 113' ' ' THR . 12.6 ptm180 -60.04 -38.35 82.47 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 116.395 -0.366 . . . . 65.24 110.129 -177.17 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -57.05 -49.99 74.14 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.874 -0.603 . . . . 63.41 110.075 175.445 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . 0.723 ' HB3' ' HD2' ' A' ' 129' ' ' ARG . 46.5 m80 -74.95 4.38 6.66 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.127 -0.488 . . . . 74.13 111.961 177.713 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 23.1 t-80 -108.5 -32.83 7.25 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.817 -0.174 . . . . 75.14 111.329 179.431 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.42 HG22 ' O ' ' A' ' 117' ' ' ARG . 29.2 m -104.72 -19.68 6.24 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.535 0 N-CA-C 113.068 0.766 . . . . 74.54 113.068 -173.325 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' CYS . . . . . 0.527 ' HB2' ' HB2' ' A' ' 125' ' ' SER . 78.7 m -81.29 140.85 49.09 Favored Pre-proline 0 CA--C 1.54 0.578 0 O-C-N 122.319 -0.238 . . . . 72.12 111.33 -177.187 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 6.7 Cg_endo -46.87 -61.79 0.55 Allowed 'Trans proline' 0 C--N 1.358 1.049 0 C-N-CA 124.213 3.275 . . . . 74.45 114.028 -170.05 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -113.05 47.46 1.11 Allowed 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 121.716 0.77 . . . . 65.44 110.581 -179.814 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . 0.602 ' O ' HG22 ' A' ' 128' ' ' THR . 68.5 m -115.05 -28.52 6.97 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.192 -0.913 . . . . 62.44 110.327 173.59 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 31.6 p-10 -72.21 -32.52 66.84 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 108.969 -0.752 . . . . 73.42 108.969 173.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . 0.517 ' O ' ' HB3' ' A' ' 131' ' ' ASN . . . -63.35 -17.33 62.48 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.003 -0.999 . . . . 54.1 112.047 177.848 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' THR . . . . . 0.602 HG22 ' O ' ' A' ' 125' ' ' SER . 1.0 OUTLIER -97.27 -11.84 23.65 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.268 -0.642 . . . . 73.21 109.268 -171.012 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . 0.723 ' HD2' ' HB3' ' A' ' 119' ' ' HIS . 15.4 ptm180 -114.06 -47.67 2.94 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.441 -0.8 . . . . 72.04 110.267 -176.663 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 130' ' ' ASN . . . . . 0.413 ' N ' ' HG3' ' A' ' 129' ' ' ARG . 83.6 m-20 -78.84 -26.03 44.1 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.55 -0.75 . . . . 71.52 111.505 -178.171 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 131' ' ' ASN . . . . . 0.517 ' HB3' ' O ' ' A' ' 127' ' ' ALA . 0.2 OUTLIER -115.31 -32.18 5.72 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 115.726 -0.67 . . . . 72.12 110.856 -173.136 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . 0.478 ' HB ' ' HA ' ' A' ' 128' ' ' THR . 65.5 t -116.85 154.43 18.49 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.392 0 CA-C-N 116.374 -0.375 . . . . 70.22 110.358 -175.861 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -87.26 95.21 9.9 Favored 'General case' 0 C--O 1.24 0.594 0 CA-C-O 121.733 0.778 . . . . 45.42 111.534 -178.54 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . 0.835 HG22 ' HB ' ' A' ' 97' ' ' VAL . 69.9 t -125.33 119.9 56.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.096 -0.957 . . . . 75.02 110.845 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 4.6 tpp180 -78.84 111.55 15.1 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.274 -0.639 . . . . 72.41 109.274 173.597 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 75.7 mt -83.52 101.44 11.43 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.522 0.677 . . . . 50.04 110.71 178.439 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . 0.514 ' O ' ' HA ' ' A' ' 100' ' ' ARG . 0.2 OUTLIER -110.29 114.58 47.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 114.816 -1.084 . . . . 74.42 110.081 -177.826 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . 0.541 HG12 HG21 ' A' ' 115' ' ' VAL . 3.2 m -93.69 138.83 19.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 115.607 -0.724 . . . . 53.11 109.852 -178.871 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.315 -0.902 0 CA-C-N 115.656 -0.702 . . . . 73.13 110.74 -176.16 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 19.4 ptt? . . . . . 0 C--O 1.236 0.361 0 CA-C-O 120.894 0.378 . . . . 72.42 110.859 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 44.0 t30 -75.64 72.23 2.58 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.418 0.628 . . . . 61.35 110.537 177.165 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . 0.538 HG21 ' HB2' ' B' ' 6' ' ' LYS . 31.9 mm -67.97 133.01 32.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.583 -0.735 . . . . 72.42 111.492 175.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.634 ' HG ' ' HD3' ' A' ' 87' ' ' PRO . 86.6 mt -87.57 -49.76 6.97 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.584 -0.735 . . . . 75.25 109.849 174.377 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 5' ' ' TYR . . . . . . . . . . . . . 16.9 t80 -132.11 131.09 42.01 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.875 -0.602 . . . . 75.45 109.699 -178.004 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . 0.538 ' HB2' HG21 ' B' ' 3' ' ' ILE . 38.0 ttmt -135.85 149.57 49.09 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.056 0.455 . . . . 65.01 110.95 176.535 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . 0.551 HG23 ' OE1' ' A' ' 48' ' ' GLN . 8.5 t -154.57 168.07 27.99 Favored 'General case' 0 CA--C 1.536 0.424 0 N-CA-C 108.636 -0.875 . . . . 72.52 108.636 178.352 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . 0.433 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . . . -136.24 150.84 49.15 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-O 121.14 0.495 . . . . 64.22 111.828 -174.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . 0.572 ' HA ' ' H ' ' B' ' 22' ' ' HIS . . . -136.44 125.21 23.94 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.986 -0.552 . . . . 31.45 110.483 175.453 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 61.3 m -105.85 116.26 31.64 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.543 -0.753 . . . . 64.31 110.221 -178.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 74.0 p -104.42 113.38 26.9 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 110.109 -0.33 . . . . 74.14 110.109 175.37 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 8.1 m -98.51 160.52 14.22 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.414 -0.357 . . . . 53.42 110.557 179.787 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -77.95 75.93 1.82 Allowed Glycine 0 N--CA 1.443 -0.835 0 C-N-CA 120.883 -0.675 . . . . 71.12 111.587 173.571 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -61.13 -107.53 0.01 OUTLIER Glycine 0 C--N 1.334 0.436 0 C-N-CA 121.355 -0.45 . . . . 73.4 112.122 174.075 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . 0.44 ' HA ' ' HD2' ' B' ' 15' ' ' ARG . 14.2 tpt180 -86.16 -54.53 4.41 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 117.332 0.566 . . . . 65.14 109.568 174.194 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -125.55 -42.86 1.92 Allowed 'General case' 0 N--CA 1.463 0.216 0 N-CA-C 109.231 -0.655 . . . . 65.33 109.231 171.646 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -153.61 146.47 14.82 Favored Glycine 0 C--N 1.336 0.566 0 N-CA-C 111.01 -0.836 . . . . 74.22 111.01 165.347 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 18' ' ' ARG . . . . . 0.463 ' HA ' ' HA ' ' B' ' 29' ' ' LYS . 0.9 OUTLIER -136.32 105.08 5.84 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 108.999 -0.741 . . . . 74.4 108.999 179.513 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -98.52 123.96 42.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.3 -0.409 . . . . 64.21 110.23 -174.427 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 22.6 m -130.27 114.58 15.82 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.242 -0.435 . . . . 75.11 111.015 -177.163 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 21' ' ' SER . . . . . 0.526 ' HB3' ' N ' ' B' ' 26' ' ' LEU . 34.7 t -66.48 108.04 2.26 Favored 'General case' 0 C--O 1.244 0.813 0 N-CA-C 106.781 -1.563 . . . . 74.21 106.781 174.181 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 22' ' ' HIS . . . . . 0.572 ' H ' ' HA ' ' B' ' 9' ' ' ALA . 51.1 t-80 -55.61 -21.31 17.04 Favored 'General case' 0 N--CA 1.467 0.393 0 O-C-N 125.679 1.862 . . . . 73.12 112.983 -162.419 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . 0.519 ' HB2' ' HE2' ' B' ' 25' ' ' LYS . 1.7 m-20 -80.28 19.48 0.75 Allowed 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 110.058 -0.349 . . . . 63.54 110.058 178.527 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 30.4 mm-40 62.75 23.15 13.8 Favored 'General case' 0 C--O 1.231 0.122 0 CA-C-N 115.977 -0.556 . . . . 71.43 109.884 -178.112 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . 0.519 ' HE2' ' HB2' ' B' ' 23' ' ' ASP . 51.9 mtmt -86.93 -25.71 24.24 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 115.498 -0.774 . . . . 41.25 110.756 -179.603 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . 0.526 ' N ' ' HB3' ' B' ' 21' ' ' SER . 48.0 tp -149.33 147.76 28.71 Favored 'General case' 0 CA--C 1.508 -0.647 0 C-N-CA 120.66 -0.416 . . . . 71.52 110.976 177.766 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 13.1 p-10 -158.85 90.85 1.01 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.5 -0.773 . . . . 53.33 110.302 -177.566 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 8.1 m -141.17 176.32 4.73 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.466 0 CA-C-O 121.573 0.701 . . . . 74.12 112.19 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.463 ' HA ' ' HA ' ' B' ' 18' ' ' ARG . 4.0 ttpm? -125.82 142.98 51.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 114.671 -1.15 . . . . 64.31 110.689 -177.474 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . 0.812 ' HA ' ' H ' ' B' ' 44' ' ' THR . 0.0 OUTLIER -130.66 166.76 20.01 Favored 'General case' 0 C--O 1.248 1.0 0 CA-C-N 116.057 -0.519 . . . . 72.32 110.134 174.183 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 31' ' ' SER . . . . . 0.514 ' OG ' ' HB3' ' B' ' 41' ' ' ALA . 34.1 m -150.73 149.6 30.0 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 115.801 -0.636 . . . . 62.35 111.204 -178.637 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -75.74 140.63 71.31 Favored Pre-proline 0 C--O 1.239 0.551 0 CA-C-N 115.784 -0.644 . . . . 75.13 110.868 177.503 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 33' ' ' PRO . . . . . 0.511 ' HG3' HD22 ' B' ' 45' ' ' ASN . 43.9 Cg_exo -56.03 117.59 4.25 Favored 'Trans proline' 0 C--N 1.352 0.726 0 C-N-CA 122.897 2.398 . . . . 71.3 111.584 179.707 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 34' ' ' ARG . . . . . 0.487 ' HA ' ' H ' ' B' ' 38' ' ' GLY . 62.9 ttt180 -71.33 -16.36 62.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.348 0.594 . . . . 71.43 110.751 -175.376 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . 0.446 ' CD ' ' H ' ' B' ' 35' ' ' GLU . 5.9 mp0 -57.72 -27.37 62.91 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 114.827 -1.079 . . . . 72.42 110.124 178.16 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 4.8 mp -111.95 19.23 18.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.217 -0.901 . . . . 63.52 110.056 -173.104 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 83.34 65.1 1.6 Allowed Glycine 0 C--N 1.332 0.33 0 N-CA-C 111.505 -0.638 . . . . 51.22 111.505 -176.455 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . 0.487 ' H ' ' HA ' ' B' ' 34' ' ' ARG . . . -120.26 -131.46 4.13 Favored Glycine 0 C--N 1.329 0.194 0 C-N-CA 121.133 -0.556 . . . . 64.12 112.507 -174.477 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -120.61 -35.04 3.46 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 120.851 0.358 . . . . 71.25 110.798 179.384 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 40' ' ' GLY . . . . . 0.422 ' CA ' ' HB2' ' B' ' 34' ' ' ARG . . . 70.15 29.14 70.7 Favored Glycine 0 C--N 1.333 0.38 0 C-N-CA 121.055 -0.593 . . . . 53.13 113.183 178.357 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . 0.514 ' HB3' ' OG ' ' B' ' 31' ' ' SER . . . -82.1 157.35 24.12 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.801 -0.444 . . . . 45.11 109.801 176.506 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -74.27 74.16 1.82 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.705 0.764 . . . . 74.14 110.513 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -133.0 -160.03 9.36 Favored Glycine 0 N--CA 1.453 -0.212 0 CA-C-N 114.994 -1.003 . . . . 72.12 111.565 178.105 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 44' ' ' THR . . . . . 0.812 ' H ' ' HA ' ' B' ' 30' ' ' LEU . 51.9 p -113.47 164.87 13.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.788 0.294 . . . . 35.03 110.81 -178.816 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 45' ' ' ASN . . . . . 0.511 HD22 ' HG3' ' B' ' 33' ' ' PRO . 12.2 m120 -85.9 127.06 63.8 Favored Pre-proline 0 C--N 1.329 -0.298 0 N-CA-C 109.708 -0.479 . . . . 71.14 109.708 178.613 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 46' ' ' PRO . . . . . . . . . . . . . 14.6 Cg_endo -56.36 -50.76 11.0 Favored 'Trans proline' 0 C--N 1.35 0.637 0 C-N-CA 122.814 2.343 . . . . 54.41 112.26 -178.346 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -55.69 -37.07 67.85 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-O 121.256 0.551 . . . . 73.03 110.428 179.461 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . 0.447 ' OE1' ' HB2' ' A' ' 21' ' ' SER . 0.9 OUTLIER -65.45 -42.42 92.37 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.672 -0.694 . . . . 65.22 110.12 177.952 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 49' ' ' LEU . . . . . 0.546 HD12 ' HA3' ' A' ' 53' ' ' GLY . 2.3 tm? -61.86 -43.46 98.79 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.692 -0.685 . . . . 73.15 109.372 -178.123 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 25.3 t80 -62.51 -45.98 90.53 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 115.866 -0.606 . . . . 74.53 110.487 175.645 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . 0.539 ' HB2' HG11 ' B' ' 83' ' ' VAL . . . -56.51 -53.21 60.2 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.216 -0.447 . . . . 63.22 111.606 179.473 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -61.06 -40.34 93.28 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 116.05 -0.523 . . . . 74.31 110.367 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . 0.556 ' HA3' HD12 ' A' ' 49' ' ' LEU . . . -62.29 -48.04 85.35 Favored Glycine 0 N--CA 1.448 -0.531 0 CA-C-N 115.642 -0.708 . . . . 73.22 112.429 177.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -63.54 -44.14 95.05 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 110.283 -0.265 . . . . 73.14 110.283 -178.285 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 55' ' ' SER . . . . . 0.504 ' OG ' ' HB2' ' B' ' 81' ' ' ALA . 30.5 m -63.9 -51.97 62.07 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.777 0.323 . . . . 71.55 110.774 -179.041 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 56' ' ' ALA . . . . . 0.558 ' HB1' HD21 ' A' ' 30' ' ' LEU . . . -62.48 -35.41 79.26 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.168 -0.469 . . . . 72.32 110.556 179.023 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 57' ' ' CYS . . . . . 0.564 ' SG ' ' HB2' ' A' ' 46' ' ' PRO . 45.7 t -68.91 -37.08 78.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.848 -0.615 . . . . 72.4 110.273 177.74 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 30.6 t80 -67.92 -25.98 65.74 Favored 'General case' 0 N--CA 1.452 -0.36 0 N-CA-C 109.5 -0.556 . . . . 52.32 109.5 -176.233 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . 0.513 HD21 ' HA2' ' A' ' 13' ' ' GLY . 66.1 tp -62.21 -52.79 62.36 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 115.684 -0.689 . . . . 64.41 109.944 174.004 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 60' ' ' SER . . . . . 0.437 ' O ' ' HB3' ' B' ' 63' ' ' LYS . 19.1 t -66.94 -37.51 84.43 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 115.916 -0.584 . . . . 73.23 110.519 -179.249 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -62.45 -46.91 86.38 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.969 0.414 . . . . 44.1 110.192 176.701 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 62' ' ' MET . . . . . . . . . . . . . 3.1 tpt -64.02 -33.79 76.54 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.738 -0.665 . . . . 71.0 109.786 178.456 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . 0.437 ' HB3' ' O ' ' B' ' 60' ' ' SER . 46.7 tptt -60.19 -51.99 67.22 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 115.413 -0.812 . . . . 72.03 110.205 176.66 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 81.6 t80 -64.35 -45.01 89.65 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 115.582 -0.735 . . . . 73.11 110.772 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 55.4 t -57.5 -41.86 79.73 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-N 116.311 -0.404 . . . . 75.05 110.629 178.419 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 66' ' ' ALA . . . . . 0.418 ' HA ' ' HB2' ' B' ' 69' ' ' ASN . . . -53.8 -31.17 48.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.119 -0.492 . . . . 74.13 110.693 176.518 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -67.23 -39.51 92.27 Favored Glycine 0 C--N 1.331 0.296 0 CA-C-N 115.824 -0.625 . . . . 75.04 111.989 -179.5 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -90.44 -9.9 45.78 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.633 0.73 . . . . 64.5 109.38 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 69' ' ' ASN . . . . . 0.546 ' HB3' ' HG2' ' B' ' 71' ' ' GLN . 0.9 OUTLIER -92.23 -1.17 57.28 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 114.85 -1.068 . . . . 65.21 110.37 174.315 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 1.8 mptp? 61.19 24.44 14.54 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 115.944 -0.571 . . . . 73.12 111.365 174.691 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . 0.546 ' HG2' ' HB3' ' B' ' 69' ' ' ASN . 3.1 pt20 -124.61 161.24 26.66 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.003 -0.544 . . . . 74.24 110.669 -176.538 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 14.9 p -119.9 132.72 55.63 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.938 -0.574 . . . . 74.12 109.929 175.596 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -109.24 147.2 35.49 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.308 -0.405 . . . . 75.15 110.66 -179.051 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 74' ' ' PRO . . . . . 0.655 ' HD2' HD11 ' B' ' 103' ' ' LEU . 31.2 Cg_exo -59.99 137.06 73.56 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.699 2.266 . . . . 62.01 112.447 178.84 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -76.9 -24.66 52.5 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.758 0.79 . . . . 71.53 110.882 178.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 37.1 m-20 -80.74 21.9 0.63 Allowed 'General case' 0 C--N 1.313 -0.988 0 CA-C-N 114.599 -1.182 . . . . 60.22 111.488 -171.74 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 77' ' ' THR . . . . . 0.524 ' HB ' HD12 ' B' ' 103' ' ' LEU . 7.6 t -88.92 172.98 8.76 Favored 'General case' 0 C--O 1.237 0.421 0 C-N-CA 122.656 0.382 . . . . 73.25 111.791 -175.348 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 16.6 m -152.63 149.27 28.26 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-O 121.057 0.456 . . . . 71.23 110.964 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 72.9 t -131.42 121.05 47.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 N-CA-C 109.069 -0.715 . . . . 54.24 109.069 174.078 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 80' ' ' THR . . . . . 0.494 ' HA ' ' HA ' ' A' ' 10' ' ' THR . 23.7 m -107.18 109.22 20.98 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 116.439 -0.346 . . . . 72.42 110.851 -177.761 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 81' ' ' ALA . . . . . 0.504 ' HB2' ' OG ' ' B' ' 55' ' ' SER . . . -96.66 114.81 26.48 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.435 -0.348 . . . . 73.43 110.393 178.275 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 82' ' ' GLU . . . . . 0.536 ' HA ' ' HA ' ' A' ' 8' ' ' ALA . 41.8 tt0 -112.53 107.99 16.93 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.454 -0.572 . . . . 71.23 109.454 177.759 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . 0.562 HG12 HG22 ' B' ' 97' ' ' VAL . 27.3 m -104.17 146.59 11.4 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.258 0 CA-C-N 116.214 -0.448 . . . . 71.44 111.271 -174.754 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 84' ' ' GLY . . . . . 0.413 ' HA2' ' HA ' ' A' ' 6' ' ' LYS . . . -142.28 161.95 27.25 Favored Glycine 0 N--CA 1.442 -0.957 0 CA-C-N 115.858 -0.61 . . . . 52.45 111.607 178.824 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -132.7 130.79 59.51 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 N-CA-C 108.659 -0.867 . . . . 73.1 108.659 178.091 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 86' ' ' GLY . . . . . 0.466 ' HA2' ' HG ' ' A' ' 4' ' ' LEU . . . -150.5 169.71 30.4 Favored Glycine 0 N--CA 1.451 -0.322 0 CA-C-N 115.706 -0.679 . . . . 52.3 111.511 -178.414 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 87' ' ' PRO . . . . . 0.69 ' HD3' ' HG ' ' A' ' 4' ' ' LEU . 7.8 Cg_exo -71.89 125.38 10.95 Favored 'Trans proline' 0 C--N 1.344 0.3 0 C-N-CA 122.792 2.328 . . . . 61.3 111.77 -178.444 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 88' ' ' ASN . . . . . 0.424 ' HB2' ' HB2' ' B' ' 94' ' ' ALA . 51.9 t-20 -77.24 146.33 36.99 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.149 -0.686 . . . . 72.3 109.149 176.171 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -62.66 -13.55 33.23 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-O 121.202 0.525 . . . . 65.22 110.863 178.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -67.41 -22.61 65.53 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 115.329 -0.851 . . . . 74.05 111.254 175.492 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.1 23.41 8.14 Favored Glycine 0 C--O 1.235 0.21 0 N-CA-C 111.66 -0.576 . . . . 72.2 111.66 -176.12 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . -137.36 -144.33 4.73 Favored Glycine 0 N--CA 1.452 -0.253 0 N-CA-C 111.107 -0.797 . . . . 70.13 111.107 178.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 93' ' ' PHE . . . . . . . . . . . . . 63.2 m-85 -111.04 167.91 9.89 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 117.117 0.459 . . . . 73.12 110.533 178.156 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 94' ' ' ALA . . . . . 0.424 ' HB2' ' HB2' ' B' ' 88' ' ' ASN . . . -153.14 132.83 13.09 Favored 'General case' 0 C--O 1.239 0.534 0 CA-C-N 115.896 -0.593 . . . . 62.21 109.889 179.08 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -95.45 121.66 37.36 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.834 -0.621 . . . . 74.21 110.05 177.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 96' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -109.97 111.73 23.3 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.18 -0.918 . . . . 73.53 109.481 -178.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 97' ' ' VAL . . . . . 0.562 HG22 HG12 ' B' ' 83' ' ' VAL . 63.7 t -114.03 110.65 32.88 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.828 0 CA-C-N 115.979 -0.555 . . . . 65.34 110.65 -174.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 98' ' ' GLU . . . . . 0.462 ' HG2' ' HB3' ' B' ' 135' ' ' ARG . 43.6 mt-10 -95.47 106.99 19.12 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.726 -0.472 . . . . 74.42 109.726 178.135 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 84.4 mt -94.0 106.62 18.59 Favored 'General case' 0 C--O 1.235 0.299 0 N-CA-C 109.487 -0.561 . . . . 61.12 109.487 179.653 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 100' ' ' ARG . . . . . 0.547 ' HA ' ' O ' ' B' ' 137' ' ' VAL . 77.6 ttt180 -99.42 122.94 43.23 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.672 -0.695 . . . . 64.11 110.073 -175.047 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 101' ' ' VAL . . . . . . . . . . . . . 89.7 t -110.5 118.72 57.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.353 -0.385 . . . . 60.12 110.941 -173.684 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -120.72 101.49 7.76 Favored 'General case' 0 C--O 1.238 0.449 0 CA-C-N 116.152 -0.476 . . . . 53.32 109.86 175.753 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 103' ' ' LEU . . . . . 0.758 HD23 HD22 ' B' ' 106' ' ' LEU . 42.1 tp -113.99 117.58 43.68 Favored Pre-proline 0 C--N 1.328 -0.356 0 N-CA-C 109.096 -0.705 . . . . 72.24 109.096 179.004 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 104' ' ' PRO . . . . . 0.547 ' HD2' HD12 ' B' ' 103' ' ' LEU . 32.8 Cg_endo -62.26 145.5 96.07 Favored 'Trans proline' 0 C--O 1.237 0.45 0 C-N-CA 122.677 2.252 . . . . 74.24 111.793 -179.051 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 105' ' ' GLY . . . . . . . . . . . . . . . 68.78 15.12 68.56 Favored Glycine 0 CA--C 1.52 0.391 0 CA-C-N 115.617 -0.72 . . . . 72.34 112.458 -177.225 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 106' ' ' LEU . . . . . 0.758 HD22 HD23 ' B' ' 103' ' ' LEU . 50.2 tp -121.39 139.63 53.19 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 120.996 0.427 . . . . 60.53 110.955 -179.813 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -82.65 167.58 18.12 Favored 'General case' 0 CA--C 1.516 -0.355 0 CA-C-N 115.708 -0.678 . . . . 63.12 110.634 179.6 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -68.44 -45.48 72.42 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.055 -0.52 . . . . 34.32 109.829 168.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -59.67 -47.38 85.84 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.505 -0.77 . . . . 64.51 110.64 -178.042 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 110' ' ' ALA . . . . . 0.452 ' O ' HG22 ' B' ' 113' ' ' THR . . . -70.99 -42.92 69.02 Favored 'General case' 0 C--O 1.238 0.462 0 CA-C-N 116.128 -0.487 . . . . 72.03 110.29 179.349 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 111' ' ' ALA . . . . . 0.403 ' HA ' HD21 ' B' ' 106' ' ' LEU . . . -54.53 -37.82 65.85 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 115.856 -0.611 . . . . 64.14 111.324 178.226 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 112' ' ' LYS . . . . . . . . . . . . . 23.4 mmmt -51.08 -45.95 61.62 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 116.049 -0.523 . . . . 74.45 111.357 179.381 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 113' ' ' THR . . . . . 0.452 HG22 ' O ' ' B' ' 110' ' ' ALA . 1.6 t -82.16 -37.27 26.4 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.368 -0.378 . . . . 72.03 110.627 -177.026 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 33.9 mt -62.36 -45.96 90.83 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-O 120.752 0.311 . . . . 70.23 110.92 -178.218 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 115' ' ' VAL . . . . . 0.563 HG21 HG12 ' B' ' 138' ' ' VAL . 84.2 t -63.21 -37.55 79.75 Favored 'Isoleucine or valine' 0 C--O 1.243 0.724 0 CA-C-N 116.278 -0.419 . . . . 63.55 110.198 177.66 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 116' ' ' ASP . . . . . 0.612 ' O ' ' HB2' ' B' ' 120' ' ' HIS . 17.3 t70 -61.05 -61.51 2.52 Favored 'General case' 0 CA--C 1.52 -0.18 0 CA-C-N 115.836 -0.62 . . . . 75.43 109.883 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 117' ' ' ARG . . . . . 0.466 ' O ' HG22 ' B' ' 121' ' ' VAL . 16.0 ptm180 -57.38 -38.69 74.66 Favored 'General case' 0 N--CA 1.461 0.121 0 CA-C-N 116.296 -0.411 . . . . 70.2 110.61 -177.814 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -56.26 -56.11 25.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.842 -0.617 . . . . 61.11 110.986 178.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 79.0 m-70 -76.99 -14.05 59.89 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-O 120.675 0.274 . . . . 74.31 111.057 179.36 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 120' ' ' HIS . . . . . 0.612 ' HB2' ' O ' ' B' ' 116' ' ' ASP . 2.5 t-160 -77.57 -39.88 44.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.039 -0.528 . . . . 61.52 110.093 -177.457 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 121' ' ' VAL . . . . . 0.466 HG22 ' O ' ' B' ' 117' ' ' ARG . 32.4 m -95.21 -38.6 8.99 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.242 0 CA-C-N 116.135 -0.484 . . . . 63.42 111.455 -177.255 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 122' ' ' CYS . . . . . . . . . . . . . 77.0 m -126.99 82.5 67.94 Favored Pre-proline 0 CA--C 1.533 0.293 0 CA-C-O 120.89 0.376 . . . . 74.53 111.671 -177.075 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 123' ' ' PRO . . . . . . . . . . . . . 62.7 Cg_endo -96.11 158.56 1.37 Allowed 'Trans proline' 0 N--CA 1.454 -0.819 0 C-N-CA 122.951 2.434 . . . . 65.25 111.716 171.746 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 124' ' ' TYR . . . . . 0.527 ' HE2' ' SG ' ' B' ' 57' ' ' CYS . 0.1 OUTLIER . . . . . 0 N--CA 1.465 0.281 0 CA-C-O 121.669 0.747 . . . . 65.35 109.275 174.495 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 128' ' ' THR . . . . . . . . . . . . . 1.7 t . . . . . 0 N--CA 1.467 0.381 0 N-CA-C 109.06 -0.719 . . . . 55.14 109.06 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 129' ' ' ARG . . . . . . . . . . . . . 23.6 ptt85 -126.16 -43.23 1.81 Allowed 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 115.072 -0.967 . . . . 75.21 110.833 -177.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 130' ' ' ASN . . . . . . . . . . . . . 14.9 m120 -77.06 -48.04 18.93 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 116.157 -0.474 . . . . 74.14 111.212 178.459 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 131' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -73.99 -43.84 56.72 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 116.132 -0.485 . . . . 75.43 110.907 -176.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 132' ' ' VAL . . . . . . . . . . . . . 56.1 t -88.27 134.36 28.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.89 -0.595 . . . . 52.13 109.671 178.235 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 133' ' ' ALA . . . . . . . . . . . . . . . -72.3 86.61 1.11 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.589 0.709 . . . . 72.23 110.417 -179.128 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 134' ' ' VAL . . . . . . . . . . . . . 46.6 t -100.43 119.68 48.87 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.758 0 CA-C-N 115.093 -0.958 . . . . 61.1 110.791 -179.524 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 135' ' ' ARG . . . . . 0.462 ' HB3' ' HG2' ' B' ' 98' ' ' GLU . 0.1 OUTLIER -88.8 108.32 19.44 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.561 -0.745 . . . . 74.32 109.424 175.386 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 54.3 mt -79.36 113.04 17.18 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.067 0.461 . . . . 72.41 110.11 175.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 137' ' ' VAL . . . . . 0.547 ' O ' ' HA ' ' B' ' 100' ' ' ARG . 0.2 OUTLIER -122.86 115.57 46.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.681 -0.691 . . . . 72.22 110.499 -177.614 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 138' ' ' VAL . . . . . 0.563 HG12 HG21 ' B' ' 115' ' ' VAL . 3.0 m -101.12 138.49 25.16 Favored 'Isoleucine or valine' 0 C--O 1.238 0.455 0 CA-C-N 115.786 -0.643 . . . . 70.52 109.865 -179.761 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 139' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.176 0 CA-C-O 118.594 -0.717 . . . . 71.35 110.817 -177.008 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.591 ' SD ' ' HB2' ' B' ' 96' ' ' ASP . 28.7 ptm . . . . . 0 N--CA 1.484 1.258 0 CA-C-O 120.935 0.398 . . . . 71.43 110.719 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 49.5 t30 -100.86 83.92 2.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.817 -0.628 . . . . 75.52 109.808 -179.125 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.528 HG21 ' HB2' ' A' ' 6' ' ' LYS . 29.6 mm -66.44 129.06 30.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.889 -0.596 . . . . 51.02 111.958 -178.495 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.748 ' HG ' ' HD3' ' B' ' 87' ' ' PRO . 88.3 mt -86.29 -43.44 12.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.58 -0.736 . . . . 74.21 109.742 174.201 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . 0.619 ' HE2' ' HG2' ' B' ' 35' ' ' GLU . 58.7 t80 -141.08 135.5 31.04 Favored 'General case' 0 CA--C 1.518 -0.273 0 CA-C-N 116.056 -0.52 . . . . 54.43 110.03 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.528 ' HB2' HG21 ' A' ' 3' ' ' ILE . 31.2 ttmt -145.49 139.62 26.95 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.933 0.397 . . . . 62.42 110.549 177.128 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 7.1 t -139.18 -180.0 6.19 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.454 -0.794 . . . . 73.02 109.092 177.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -151.5 148.44 28.04 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.886 0.374 . . . . 64.34 110.354 -178.003 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -137.92 131.96 31.69 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.115 -0.493 . . . . 65.14 109.988 -179.733 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 8.9 t -102.29 121.72 42.83 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.113 0.482 . . . . 73.43 109.817 -178.751 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 75.2 p -107.37 113.51 26.92 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.12 -0.491 . . . . 71.32 110.297 -179.02 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.3 m -85.76 151.95 23.43 Favored 'General case' 0 C--O 1.241 0.651 0 CA-C-N 116.235 -0.439 . . . . 72.12 110.627 -178.138 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -78.84 67.83 3.14 Favored Glycine 0 N--CA 1.444 -0.793 0 CA-C-N 115.825 -0.625 . . . . 62.44 111.812 177.118 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.89 -159.59 0.42 Allowed Glycine 0 C--N 1.336 0.568 0 C-N-CA 121.008 -0.615 . . . . 62.02 112.764 176.052 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.589 ' HA ' ' NE ' ' A' ' 15' ' ' ARG . 1.5 mmp_? -47.76 -49.42 28.5 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 116.64 0.22 . . . . 73.04 111.277 -179.367 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.571 ' HB3' ' HA ' ' A' ' 31' ' ' SER . 33.8 t70 -125.74 -42.78 1.9 Allowed 'General case' 0 CA--C 1.518 -0.269 0 N-CA-C 109.111 -0.7 . . . . 74.22 109.111 171.841 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -163.62 158.5 30.99 Favored Glycine 0 N--CA 1.446 -0.653 0 C-N-CA 120.271 -0.966 . . . . 73.12 112.192 167.325 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.466 ' HA ' ' HA ' ' A' ' 29' ' ' LYS . 24.8 ttt85 -133.92 152.99 52.06 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 108.862 -0.792 . . . . 73.24 108.862 172.846 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.412 ' HB2' ' HB2' ' B' ' 56' ' ' ALA . . . -146.19 124.29 12.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.767 0.318 . . . . 71.12 110.633 -176.818 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.439 HG23 ' HB2' ' A' ' 27' ' ' ASP . 25.5 m -133.71 114.17 13.14 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.971 -0.559 . . . . 63.53 110.248 -177.289 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.525 ' CB ' ' HB3' ' A' ' 26' ' ' LEU . 18.0 t -74.64 115.46 14.23 Favored 'General case' 0 C--O 1.249 1.055 0 N-CA-C 107.36 -1.348 . . . . 62.3 107.36 175.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 78.1 t60 -63.0 -19.6 64.51 Favored 'General case' 0 C--N 1.351 0.649 0 O-C-N 126.383 2.302 . . . . 71.44 113.021 -163.408 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.416 ' OD1' ' HE3' ' A' ' 25' ' ' LYS . 9.4 p30 -80.43 13.21 2.55 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.637 0.732 . . . . 73.43 109.253 174.229 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 30.2 mm-40 69.88 20.15 6.79 Favored 'General case' 0 CA--C 1.515 -0.367 0 CA-C-N 114.283 -1.326 . . . . 72.53 111.417 172.238 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.435 ' HD2' ' OE1' ' B' ' 48' ' ' GLN . 14.2 ptpt -91.79 -13.23 31.84 Favored 'General case' 0 N--CA 1.451 -0.42 0 C-N-CA 120.331 -0.548 . . . . 73.44 110.415 176.834 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.525 ' HB3' ' CB ' ' A' ' 21' ' ' SER . 67.8 tp -141.9 142.55 33.07 Favored 'General case' 0 C--N 1.349 0.582 0 C-N-CA 119.081 -1.048 . . . . 74.42 110.631 175.42 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.439 ' HB2' HG23 ' A' ' 20' ' ' THR . 30.3 t70 -164.4 90.52 0.57 Allowed 'General case' 0 C--N 1.33 -0.25 0 O-C-N 123.635 0.585 . . . . 74.13 109.453 176.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.404 HG22 HD11 ' A' ' 26' ' ' LEU . 11.0 m -147.42 178.07 1.02 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.427 0 CA-C-N 115.852 -0.613 . . . . 62.12 111.608 -176.128 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.466 ' HA ' ' HA ' ' A' ' 18' ' ' ARG . 0.0 OUTLIER -118.61 151.45 37.9 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.157 -0.929 . . . . 62.42 110.485 178.108 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.656 ' HA ' ' H ' ' A' ' 44' ' ' THR . 0.0 OUTLIER -130.1 155.36 46.31 Favored 'General case' 0 C--O 1.257 1.498 0 N-CA-C 109.483 -0.562 . . . . 64.12 109.483 167.723 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.571 ' HA ' ' HB3' ' A' ' 16' ' ' ASP . 73.1 m -164.24 131.11 3.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.673 -0.694 . . . . 75.34 111.547 -175.44 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.461 ' HA ' ' HD3' ' A' ' 33' ' ' PRO . . . -72.87 133.66 81.92 Favored Pre-proline 0 C--O 1.241 0.632 0 CA-C-N 115.273 -0.876 . . . . 52.21 110.65 177.314 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.461 ' HD3' ' HA ' ' A' ' 32' ' ' ALA . 33.8 Cg_exo -60.31 148.48 90.02 Favored 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 122.909 2.406 . . . . 73.33 112.177 -179.083 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 6.6 mmt85 -69.76 -3.31 14.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.223 -0.444 . . . . 50.12 111.501 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.407 ' HB3' HD22 ' A' ' 36' ' ' LEU . 9.7 tp10 -57.71 -31.55 66.53 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-O 121.045 0.45 . . . . 75.14 110.408 175.389 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.496 HD22 ' N ' ' A' ' 36' ' ' LEU . 2.2 mm? -100.58 6.2 44.11 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 115.76 -0.655 . . . . 63.44 110.324 178.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 75.46 37.57 40.73 Favored Glycine 0 N--CA 1.451 -0.363 0 N-CA-C 111.386 -0.686 . . . . 72.22 111.386 -171.647 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -76.44 -123.2 0.18 Allowed Glycine 0 C--N 1.337 0.599 0 C-N-CA 121.44 -0.409 . . . . 73.44 113.231 -178.156 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -104.17 -38.85 6.74 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 120.874 0.369 . . . . 63.22 111.28 -173.488 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 99.79 66.65 0.84 Allowed Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 121.081 -0.581 . . . . 45.53 111.862 -178.244 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -167.89 137.29 2.58 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.944 -0.391 . . . . 44.21 109.944 -178.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -86.26 57.63 4.6 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.388 0.613 . . . . 71.23 111.061 -178.427 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -85.02 -141.01 5.31 Favored Glycine 0 C--N 1.331 0.27 0 N-CA-C 110.817 -0.913 . . . . 55.55 110.817 174.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.656 ' H ' ' HA ' ' A' ' 30' ' ' LEU . 4.4 p -111.35 151.96 27.83 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.042 -0.725 . . . . 74.01 109.042 175.217 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.69 ' HB2' ' HB3' ' A' ' 48' ' ' GLN . 66.7 m-20 -86.23 133.03 41.56 Favored Pre-proline 0 C--N 1.324 -0.506 0 N-CA-C 109.373 -0.602 . . . . 72.33 109.373 -178.033 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.408 ' HB2' ' SG ' ' B' ' 57' ' ' CYS . 18.5 Cg_endo -56.95 -53.15 5.36 Favored 'Trans proline' 0 C--N 1.35 0.625 0 C-N-CA 123.101 2.534 . . . . 63.04 113.242 -174.618 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.512 ' OE1' ' HB3' ' A' ' 45' ' ' ASN . 0.0 OUTLIER -69.3 -31.72 70.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.53 -0.305 . . . . 62.13 110.385 -179.222 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.69 ' HB3' ' HB2' ' A' ' 45' ' ' ASN . 0.8 OUTLIER -63.89 -37.53 87.72 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-O 121.111 0.481 . . . . 72.35 110.336 173.948 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.502 HD12 ' HA3' ' B' ' 53' ' ' GLY . 2.8 tm? -66.73 -52.67 41.71 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 115.746 -0.661 . . . . 71.11 109.307 179.312 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 54.0 t80 -59.26 -40.0 84.64 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.07 -0.514 . . . . 64.45 110.531 177.21 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.37 -52.92 62.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 52.03 110.847 178.586 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.62 -47.36 85.91 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-N 116.091 -0.504 . . . . 51.43 110.665 -179.589 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -58.83 -53.18 48.41 Favored Glycine 0 N--CA 1.45 -0.386 0 CA-C-N 115.685 -0.689 . . . . 45.35 112.294 179.039 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -62.16 -37.3 84.7 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 122.719 0.408 . . . . 71.4 110.441 -179.224 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 32.5 t -59.68 -53.16 61.21 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.102 0.477 . . . . 50.31 110.145 178.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.618 ' HB1' HD21 ' B' ' 30' ' ' LEU . . . -69.85 -35.41 74.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.886 -0.597 . . . . 72.41 111.041 -178.796 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.412 ' SG ' ' HB3' ' B' ' 46' ' ' PRO . 88.8 m -65.32 -36.28 83.58 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.126 -0.488 . . . . 74.4 110.018 177.771 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 33.2 t80 -62.11 -38.06 87.47 Favored 'General case' 0 C--O 1.233 0.232 0 N-CA-C 109.179 -0.675 . . . . 64.12 109.179 179.411 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 47.9 tp -66.08 -51.43 58.17 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 115.174 -0.921 . . . . 74.12 110.632 178.677 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.458 ' HA ' ' HG3' ' A' ' 63' ' ' LYS . 74.7 m -63.81 -34.97 79.1 Favored 'General case' 0 C--O 1.238 0.449 0 CA-C-O 120.705 0.288 . . . . 74.4 111.138 179.017 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -59.51 -46.47 88.75 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.266 -0.642 . . . . 64.15 109.266 174.647 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 83.6 mmm -64.53 -32.85 74.67 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.645 -0.707 . . . . 61.32 111.084 176.372 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.458 ' HG3' ' HA ' ' A' ' 60' ' ' SER . 24.2 mtmm -62.6 -41.27 98.87 Favored 'General case' 0 N--CA 1.465 0.309 0 N-CA-C 109.81 -0.441 . . . . 62.32 109.81 177.242 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 44.7 t80 -71.28 -47.86 54.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.208 -0.451 . . . . 70.35 110.385 177.272 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 41.0 t -52.76 -46.57 51.12 Favored 'Isoleucine or valine' 0 C--O 1.237 0.44 0 CA-C-O 121.122 0.487 . . . . 51.41 111.116 179.257 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.431 ' HB1' ' O ' ' A' ' 71' ' ' GLN . . . -56.83 -32.9 66.21 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.022 -0.535 . . . . 55.45 110.563 179.345 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -71.41 -28.2 70.11 Favored Glycine 0 CA--C 1.518 0.219 0 CA-C-N 115.642 -0.708 . . . . 65.01 112.717 -176.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -97.27 -14.91 21.06 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.32 0.581 . . . . 73.33 109.524 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.411 ' HB3' ' HG2' ' A' ' 71' ' ' GLN . 16.7 m-80 -93.42 -3.92 52.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.197 -0.91 . . . . 73.35 110.316 173.657 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 3.0 mptp? 59.39 23.37 11.88 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 115.547 -0.752 . . . . 70.5 111.496 177.169 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.431 ' O ' ' HB1' ' A' ' 66' ' ' ALA . 2.9 pt20 -108.55 162.19 14.36 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.14 -0.936 . . . . 65.11 109.373 176.364 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 17.0 p -124.78 131.46 53.45 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 116.495 -0.321 . . . . 71.13 110.625 -177.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -109.45 137.85 20.4 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-N 116.143 -0.48 . . . . 63.13 110.312 177.338 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 10.4 Cg_endo -56.43 132.89 54.57 Favored 'Trans proline' 0 C--N 1.348 0.523 0 C-N-CA 123.273 2.649 . . . . 75.32 112.935 179.431 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -76.93 1.82 16.54 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 121.206 0.527 . . . . 74.43 111.273 177.28 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -94.71 18.14 12.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.658 0.742 . . . . 72.44 110.219 -179.781 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.512 ' HB ' HD12 ' A' ' 103' ' ' LEU . 8.2 t -90.23 166.52 13.31 Favored 'General case' 0 C--O 1.238 0.456 0 CA-C-N 115.451 -0.795 . . . . 73.42 112.297 -176.407 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.516 HG22 ' HA ' ' B' ' 12' ' ' THR . 1.1 p -148.99 149.48 31.23 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 115.526 -0.761 . . . . 65.01 110.686 -179.714 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 92.6 t -131.55 125.36 56.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 N-CA-C 109.187 -0.671 . . . . 73.54 109.187 173.415 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.436 ' HB ' ' HB3' ' A' ' 100' ' ' ARG . 47.3 m -111.54 113.09 25.27 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 120.676 0.274 . . . . 61.0 110.579 -179.497 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -93.38 106.62 18.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.111 -0.495 . . . . 75.0 109.932 177.662 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.53 ' HA ' ' HA ' ' B' ' 8' ' ' ALA . 32.2 tt0 -107.75 107.85 18.8 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.22 -0.445 . . . . 74.0 109.865 -179.837 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.535 HG12 HG22 ' A' ' 97' ' ' VAL . 34.1 m -99.43 140.11 19.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.359 -0.382 . . . . 74.25 110.745 -177.054 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.411 ' O ' ' HA ' ' A' ' 95' ' ' LEU . . . -129.76 151.1 19.2 Favored Glycine 0 N--CA 1.444 -0.791 0 N-CA-C 111.389 -0.684 . . . . 64.22 111.389 174.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -131.84 128.16 59.56 Favored 'Isoleucine or valine' 0 C--O 1.244 0.774 0 N-CA-C 109.531 -0.544 . . . . 71.32 109.531 179.538 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -155.66 169.85 33.49 Favored Glycine 0 N--CA 1.454 -0.117 0 CA-C-N 115.047 -0.978 . . . . 64.2 111.51 178.764 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.686 ' HD3' ' HG ' ' B' ' 4' ' ' LEU . 3.0 Cg_exo -73.87 127.93 11.95 Favored 'Trans proline' 0 N--CA 1.461 -0.419 0 C-N-CA 122.656 2.237 . . . . 75.13 110.834 175.599 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . 0.452 ' HB3' ' HB2' ' A' ' 94' ' ' ALA . 38.7 p30 -91.86 170.36 9.94 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.102 0.477 . . . . 63.43 111.062 -179.116 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -67.55 -14.04 62.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.722 -0.672 . . . . 74.31 111.342 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -70.6 -26.62 63.59 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 116.349 -0.387 . . . . 62.35 110.224 176.5 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.17 19.72 11.3 Favored Glycine 0 C--N 1.331 0.258 0 CA-C-N 115.954 -0.566 . . . . 52.42 112.444 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . 0.452 ' O ' ' HA ' ' A' ' 87' ' ' PRO . . . -133.41 -152.56 6.87 Favored Glycine 0 C--N 1.328 0.138 0 N-CA-C 111.204 -0.758 . . . . 74.12 111.204 177.517 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 32.9 m-85 -98.05 156.39 16.67 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.847 -0.427 . . . . 72.25 109.847 178.724 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.452 ' HB2' ' HB3' ' A' ' 88' ' ' ASN . . . -147.73 136.78 22.18 Favored 'General case' 0 C--O 1.241 0.636 0 CA-C-N 116.41 -0.359 . . . . 73.43 110.727 179.01 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.462 HD11 ' HG2' ' A' ' 47' ' ' GLU . 4.4 mm? -103.25 115.44 30.56 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 115.121 -0.945 . . . . 75.45 109.643 175.639 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 34.5 t0 -109.88 110.48 21.46 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 108.705 -0.85 . . . . 62.1 108.705 179.358 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.643 ' HB ' HG22 ' A' ' 134' ' ' VAL . 56.4 t -112.21 110.65 32.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 N-CA-C 111.898 0.332 . . . . 41.42 111.898 -170.393 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -80.44 111.19 16.61 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 110.215 -0.291 . . . . 51.52 110.215 173.304 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 57.0 mt -93.8 106.93 18.87 Favored 'General case' 0 C--O 1.234 0.253 0 N-CA-C 109.132 -0.692 . . . . 73.33 109.132 173.521 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.614 ' HA ' ' O ' ' A' ' 137' ' ' VAL . 66.0 ttt180 -99.7 107.56 19.69 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.362 -0.835 . . . . 73.43 110.474 -174.409 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 48.3 t -103.17 102.04 13.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.465 -0.334 . . . . 72.23 110.692 -173.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -99.66 101.33 12.49 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.791 0.329 . . . . 73.1 110.31 178.748 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.865 HD23 HD22 ' A' ' 106' ' ' LEU . 35.8 tp -114.45 117.5 42.8 Favored Pre-proline 0 C--N 1.327 -0.378 0 N-CA-C 108.904 -0.776 . . . . 73.31 108.904 179.41 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . 0.533 ' HD2' HD12 ' A' ' 103' ' ' LEU . 57.5 Cg_endo -73.51 148.62 42.9 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.266 1.977 . . . . 73.52 112.273 -175.895 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 74.32 15.05 80.33 Favored Glycine 0 N--CA 1.45 -0.37 0 CA-C-N 115.662 -0.699 . . . . 54.45 112.118 -177.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.865 HD22 HD23 ' A' ' 103' ' ' LEU . 30.5 tp -124.91 140.07 53.26 Favored 'General case' 0 C--O 1.236 0.359 0 C-N-CA 122.825 0.45 . . . . 65.03 110.698 -176.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . 0.425 ' HB3' ' H ' ' A' ' 110' ' ' ALA . 2.0 t70 -75.64 163.34 27.42 Favored 'General case' 0 CA--C 1.512 -0.486 0 CA-C-N 115.992 -0.549 . . . . 72.42 110.611 178.328 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.445 ' O ' ' HG3' ' A' ' 112' ' ' LYS . . . -68.85 -45.07 72.03 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.37 -0.832 . . . . 74.35 109.886 169.714 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -61.49 -44.65 96.7 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-N 115.392 -0.822 . . . . 64.13 110.771 -176.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 0.483 ' O ' HG22 ' A' ' 113' ' ' THR . . . -72.74 -42.25 64.28 Favored 'General case' 0 C--O 1.237 0.434 0 CA-C-N 115.958 -0.564 . . . . 73.25 110.298 178.502 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -54.63 -38.91 67.41 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 115.969 -0.559 . . . . 54.13 110.864 178.302 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . 0.445 ' HG3' ' O ' ' A' ' 108' ' ' ALA . 10.4 mtpm? -51.88 -45.15 64.04 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.273 -0.421 . . . . 74.23 111.247 177.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . 0.483 HG22 ' O ' ' A' ' 110' ' ' ALA . 1.1 t -78.56 -37.23 43.23 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 120.958 -0.297 . . . . 74.22 110.517 -176.61 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 50.8 mt -64.07 -47.77 78.81 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 116.458 -0.337 . . . . 61.01 110.572 -178.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.49 HG21 HG12 ' A' ' 138' ' ' VAL . 93.3 t -64.36 -36.77 78.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.304 -0.407 . . . . 72.22 110.101 177.805 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -57.97 -58.38 8.67 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 121.026 0.441 . . . . 63.5 110.745 179.679 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . 0.472 ' HG2' ' O ' ' A' ' 113' ' ' THR . 9.2 ptm180 -64.98 -40.88 95.64 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-N 115.844 -0.616 . . . . 65.24 110.8 -177.225 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . 0.421 ' HA ' HG22 ' A' ' 121' ' ' VAL . . . -61.22 -35.93 78.55 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.05 -0.523 . . . . 63.41 110.302 177.448 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . 0.477 ' O ' ' HB3' ' A' ' 125' ' ' SER . 41.9 t-80 -80.44 8.09 8.4 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 115.704 -0.68 . . . . 74.13 110.55 178.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 22.0 m-70 -108.86 -47.51 3.44 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.139 -0.482 . . . . 75.14 110.4 171.41 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.421 HG22 ' HA ' ' A' ' 118' ' ' ALA . 33.7 m -67.8 -34.75 69.43 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.419 0 N-CA-C 112.615 0.598 . . . . 74.54 112.615 -173.459 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 80.4 m -68.14 129.08 93.17 Favored Pre-proline 0 CA--C 1.535 0.397 0 N-CA-C 110.371 -0.233 . . . . 72.12 110.371 179.698 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -58.76 -38.57 88.2 Favored 'Trans proline' 0 C--N 1.352 0.741 0 C-N-CA 122.779 2.32 . . . . 74.45 112.942 -174.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 28.2 m-85 -64.28 -18.44 64.58 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 116.399 -0.364 . . . . 65.44 110.986 -178.095 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . 0.635 ' HA ' HG22 ' A' ' 128' ' ' THR . 19.4 m -63.25 -37.26 86.53 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.113 -0.494 . . . . 62.44 112.302 -172.831 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 56.2 t30 -59.53 -46.55 88.54 Favored 'General case' 0 C--O 1.239 0.535 0 CA-C-O 121.298 0.57 . . . . 73.42 110.322 -176.239 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . 0.591 ' O ' ' HB3' ' A' ' 131' ' ' ASN . . . -68.4 -17.61 64.26 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.35 -0.841 . . . . 54.1 111.539 179.817 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' THR . . . . . 0.635 HG22 ' HA ' ' A' ' 125' ' ' SER . 0.8 OUTLIER -108.32 9.55 27.83 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.346 0.593 . . . . 73.21 109.924 -170.504 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . 0.404 HH11 ' HD3' ' A' ' 129' ' ' ARG . 3.7 ptm180 -125.55 -55.79 1.52 Allowed 'General case' 0 C--O 1.232 0.164 0 CA-C-N 115.832 -0.622 . . . . 72.04 110.658 178.647 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -78.76 -42.0 29.17 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.281 0.562 . . . . 71.52 110.534 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 131' ' ' ASN . . . . . 0.591 ' HB3' ' O ' ' A' ' 127' ' ' ALA . 2.5 t-20 -86.23 -43.09 13.25 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.532 -0.758 . . . . 72.12 111.04 -176.078 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . 0.568 ' HB ' ' HA ' ' A' ' 128' ' ' THR . 61.7 t -117.44 148.43 20.21 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.251 0 CA-C-N 116.545 -0.298 . . . . 70.22 110.73 -173.724 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -89.71 103.35 16.01 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.191 0.52 . . . . 45.42 110.576 -179.635 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . 0.643 HG22 ' HB ' ' A' ' 97' ' ' VAL . 71.5 t -116.67 124.1 72.39 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 115.824 -0.626 . . . . 75.02 111.028 177.678 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 3.1 tpp180 -90.26 117.39 28.97 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.405 -0.816 . . . . 72.41 109.388 178.138 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.412 HD23 ' HA ' ' A' ' 136' ' ' LEU . 50.7 mt -87.41 109.49 19.6 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.274 0.559 . . . . 50.04 111.169 -178.788 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . 0.614 ' O ' ' HA ' ' A' ' 100' ' ' ARG . 0.2 OUTLIER -115.07 114.0 45.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.221 -0.899 . . . . 74.42 110.077 179.846 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . 0.49 HG12 HG21 ' A' ' 115' ' ' VAL . 3.6 m -94.01 138.87 19.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.8 -0.636 . . . . 53.11 109.896 -179.022 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.314 -0.939 0 CA-C-N 115.83 -0.623 . . . . 73.13 111.135 -175.195 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 28.1 ptm . . . . . 0 C--O 1.234 0.252 0 CA-C-O 120.717 0.294 . . . . 72.42 110.769 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 56.6 t30 -99.44 84.78 3.04 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.045 -0.525 . . . . 61.35 109.791 179.117 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . 0.524 HG21 ' HB2' ' B' ' 6' ' ' LYS . 28.5 mm -70.39 122.89 23.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.933 -0.576 . . . . 72.42 111.321 179.554 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.686 ' HG ' ' HD3' ' A' ' 87' ' ' PRO . 88.2 mt -79.59 -45.94 18.21 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.621 -0.718 . . . . 75.25 109.744 176.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 5' ' ' TYR . . . . . . . . . . . . . 23.7 t80 -137.48 132.68 33.67 Favored 'General case' 0 CA--C 1.517 -0.318 0 CA-C-N 115.834 -0.621 . . . . 75.45 109.774 -177.456 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . 0.524 ' HB2' HG21 ' B' ' 3' ' ' ILE . 37.9 ttmt -136.36 135.93 39.24 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.903 0.382 . . . . 65.01 110.661 177.601 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 5.1 t -133.68 139.48 46.45 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.953 -0.567 . . . . 72.52 109.871 179.076 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . 0.53 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . . . -110.25 143.92 39.7 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.077 -0.51 . . . . 64.22 110.268 -177.614 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . 0.456 ' HA ' ' H ' ' B' ' 22' ' ' HIS . . . -132.75 119.6 20.54 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.947 0.403 . . . . 31.45 110.353 177.236 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 89.8 m -91.38 123.94 35.19 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.842 -0.617 . . . . 64.31 110.682 -177.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 43.1 t -111.69 113.65 26.15 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.855 -0.611 . . . . 74.14 109.667 178.352 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . 0.516 ' HA ' HG22 ' A' ' 78' ' ' THR . 4.4 m -102.0 158.32 16.23 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.701 0.286 . . . . 53.42 110.67 179.574 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -81.18 73.19 2.62 Favored Glycine 0 N--CA 1.45 -0.405 0 N-CA-C 111.254 -0.738 . . . . 71.12 111.254 174.042 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -63.6 -106.93 0.01 OUTLIER Glycine 0 C--N 1.336 0.533 0 C-N-CA 121.218 -0.515 . . . . 73.4 112.621 -179.585 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . 0.484 ' CG ' ' HB2' ' B' ' 41' ' ' ALA . 6.0 tpm_? -88.85 -52.67 4.99 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.309 -0.626 . . . . 65.14 109.309 174.028 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 16' ' ' ASP . . . . . 0.478 ' HB3' ' HA ' ' B' ' 31' ' ' SER . 25.1 t70 -125.73 -42.76 1.9 Allowed 'General case' 0 C--O 1.236 0.365 0 CA-C-N 116.155 -0.475 . . . . 65.33 109.851 169.172 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -156.24 143.14 9.41 Favored Glycine 0 N--CA 1.446 -0.695 0 C-N-CA 120.138 -1.03 . . . . 74.22 112.222 168.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 18' ' ' ARG . . . . . 0.407 ' HD3' ' HB ' ' B' ' 12' ' ' THR . 41.7 ttt180 -117.11 150.89 37.93 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 108.646 -0.872 . . . . 74.4 108.646 175.166 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -144.44 123.54 12.88 Favored 'General case' 0 C--N 1.317 -0.826 0 N-CA-C 109.302 -0.629 . . . . 64.21 109.302 179.495 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 20' ' ' THR . . . . . 0.468 ' HA ' ' O ' ' B' ' 26' ' ' LEU . 28.0 m -141.12 110.93 6.5 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 116.419 -0.355 . . . . 75.11 110.183 -177.719 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 21' ' ' SER . . . . . 0.615 ' HB2' ' HB3' ' B' ' 26' ' ' LEU . 9.3 t -65.87 107.95 2.0 Allowed 'General case' 0 C--O 1.251 1.154 0 N-CA-C 106.563 -1.644 . . . . 74.21 106.563 176.57 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 22' ' ' HIS . . . . . 0.456 ' H ' ' HA ' ' B' ' 9' ' ' ALA . 23.4 t60 -58.73 -21.49 55.28 Favored 'General case' 0 N--CA 1.466 0.351 0 O-C-N 126.77 2.544 . . . . 73.12 112.723 -163.349 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . 0.487 ' OD2' ' HE3' ' B' ' 25' ' ' LYS . 32.6 p30 -80.5 18.37 0.94 Allowed 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.457 0.646 . . . . 63.54 110.029 177.228 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 34.5 mm-40 72.05 23.01 3.55 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 114.637 -1.165 . . . . 71.43 112.035 170.238 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . 0.487 ' HE3' ' OD2' ' B' ' 23' ' ' ASP . 16.8 ptpt -98.54 -26.14 14.52 Favored 'General case' 0 C--O 1.235 0.294 0 C-N-CA 120.492 -0.483 . . . . 41.25 111.601 178.074 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . 0.615 ' HB3' ' HB2' ' B' ' 21' ' ' SER . 60.7 tp -134.15 138.92 45.53 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 118.882 -1.127 . . . . 71.52 112.327 -176.68 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -150.86 92.66 1.85 Allowed 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 115.004 -0.998 . . . . 53.33 110.595 -177.7 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 3.3 m -140.79 178.09 3.34 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.497 0 CA-C-O 121.375 0.607 . . . . 74.12 111.944 -179.474 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.491 ' NZ ' ' HB3' ' B' ' 29' ' ' LYS . 1.2 ttpm? -134.24 146.28 49.94 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 115.13 -0.941 . . . . 64.31 110.362 179.656 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . 0.872 ' HA ' ' H ' ' B' ' 44' ' ' THR . 0.0 OUTLIER -129.3 169.89 14.3 Favored 'General case' 0 C--O 1.252 1.19 0 N-CA-C 109.669 -0.493 . . . . 72.32 109.669 173.046 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 31' ' ' SER . . . . . 0.478 ' HA ' ' HB3' ' B' ' 16' ' ' ASP . 15.7 p -168.33 149.09 4.86 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 115.934 -0.576 . . . . 62.35 112.004 -171.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 32' ' ' ALA . . . . . 0.411 ' HA ' ' HD3' ' B' ' 33' ' ' PRO . . . -58.68 130.19 85.24 Favored Pre-proline 0 C--O 1.237 0.42 0 CA-C-N 115.453 -0.794 . . . . 75.13 110.062 172.721 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 33' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' B' ' 32' ' ' ALA . 75.4 Cg_exo -50.18 105.72 0.11 Allowed 'Trans proline' 0 C--N 1.35 0.657 0 C-N-CA 123.332 2.688 . . . . 71.3 113.618 -174.631 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 34' ' ' ARG . . . . . 0.425 ' HD2' ' H ' ' B' ' 39' ' ' ALA . 9.8 mmm180 -59.14 -14.27 9.78 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 115.808 -0.633 . . . . 71.43 110.698 172.596 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . 0.619 ' HG2' ' HE2' ' A' ' 5' ' ' TYR . 1.0 OUTLIER -49.5 -46.08 47.87 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 115.742 -0.663 . . . . 72.42 110.763 172.848 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.528 HD11 ' HB2' ' A' ' 5' ' ' TYR . 67.2 mt -100.47 16.09 25.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.635 -0.711 . . . . 63.52 109.96 -179.601 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 72.32 44.05 44.15 Favored Glycine 0 N--CA 1.449 -0.488 0 CA-C-N 115.792 -0.64 . . . . 51.22 111.542 -175.077 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . 0.485 ' O ' ' HB3' ' B' ' 39' ' ' ALA . . . -59.9 -25.88 62.27 Favored Glycine 0 C--N 1.335 0.499 0 C-N-CA 121.182 -0.532 . . . . 64.12 112.466 -177.24 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 39' ' ' ALA . . . . . 0.485 ' HB3' ' O ' ' B' ' 38' ' ' GLY . . . 77.44 6.07 3.01 Favored 'General case' 0 CA--C 1.503 -0.857 0 CA-C-O 122.671 1.224 . . . . 71.25 108.893 175.161 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -75.17 -96.46 0.13 Allowed Glycine 0 N--CA 1.415 -2.708 0 CA-C-N 112.169 -2.287 . . . . 53.13 112.581 179.783 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . 0.484 ' HB2' ' CG ' ' B' ' 15' ' ' ARG . . . -172.4 -171.85 0.86 Allowed 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 122.627 0.371 . . . . 45.11 110.23 -176.709 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -107.6 55.22 0.65 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.621 0.724 . . . . 74.14 109.39 178.431 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -101.26 -116.75 4.1 Favored Glycine 0 CA--C 1.519 0.283 0 CA-C-N 114.547 -1.206 . . . . 72.12 112.019 179.406 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 44' ' ' THR . . . . . 0.872 ' H ' ' HA ' ' B' ' 30' ' ' LEU . 32.7 m -125.09 147.22 49.09 Favored 'General case' 0 N--CA 1.453 -0.286 0 N-CA-C 109.447 -0.575 . . . . 35.03 109.447 179.044 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 45' ' ' ASN . . . . . 0.46 ' HA ' ' HD3' ' B' ' 46' ' ' PRO . 1.6 m-20 -81.52 135.32 49.91 Favored Pre-proline 0 C--N 1.328 -0.356 0 N-CA-C 109.922 -0.399 . . . . 71.14 109.922 -178.55 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 46' ' ' PRO . . . . . 0.46 ' HD3' ' HA ' ' B' ' 45' ' ' ASN . 40.8 Cg_exo -57.78 -56.11 1.92 Allowed 'Trans proline' 0 C--N 1.352 0.739 0 C-N-CA 123.268 2.645 . . . . 54.41 113.64 -174.251 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 47' ' ' GLU . . . . . 0.48 ' HB2' HG21 ' B' ' 83' ' ' VAL . 0.0 OUTLIER -68.57 -31.39 70.57 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-O 121.148 0.499 . . . . 73.03 109.933 -176.552 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . 0.435 ' OE1' ' HD2' ' A' ' 25' ' ' LYS . 62.1 tt0 -64.81 -40.65 95.55 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.26 -0.882 . . . . 65.22 110.019 175.594 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -64.31 -48.91 73.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.478 -0.783 . . . . 73.15 109.599 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 39.5 t80 -59.44 -45.89 90.29 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 116.379 -0.373 . . . . 74.53 110.558 177.535 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.91 -52.97 63.09 Favored 'General case' 0 C--O 1.237 0.423 0 CA-C-O 120.785 0.326 . . . . 63.22 111.339 -178.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.65 -52.32 66.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.077 -0.51 . . . . 74.31 111.035 179.666 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . 0.502 ' HA3' HD12 ' A' ' 49' ' ' LEU . . . -61.55 -38.26 95.53 Favored Glycine 0 C--N 1.331 0.267 0 C-N-CA 121.111 -0.566 . . . . 73.22 112.42 -178.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 54' ' ' TYR . . . . . 0.4 ' OH ' HG21 ' B' ' 128' ' ' THR . 2.8 t80 -65.3 -51.67 59.18 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 122.626 0.37 . . . . 73.14 110.664 179.529 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 55' ' ' SER . . . . . 0.567 ' HB3' ' HB2' ' B' ' 81' ' ' ALA . 19.1 p -58.65 -47.82 83.14 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.887 0.375 . . . . 71.55 110.477 -179.218 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 56' ' ' ALA . . . . . 0.482 ' HB1' HD11 ' A' ' 30' ' ' LEU . . . -61.63 -40.76 96.03 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 115.916 -0.584 . . . . 72.32 110.906 177.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 57' ' ' CYS . . . . . 0.408 ' SG ' ' HB2' ' A' ' 46' ' ' PRO . 52.5 t -65.32 -36.39 83.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.043 -0.526 . . . . 72.4 110.009 178.654 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 42.3 t80 -69.05 -30.33 68.66 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 115.756 -0.656 . . . . 52.32 109.885 -176.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -61.74 -52.31 64.78 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-N 115.51 -0.768 . . . . 64.41 109.036 177.001 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 60' ' ' SER . . . . . 0.465 ' O ' ' HB2' ' B' ' 63' ' ' LYS . 46.7 t -61.12 -42.12 97.96 Favored 'General case' 0 C--O 1.242 0.692 0 CA-C-O 121.352 0.596 . . . . 73.23 110.132 177.258 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 61' ' ' ALA . . . . . 0.506 ' O ' HG23 ' B' ' 65' ' ' VAL . . . -54.37 -45.72 72.85 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.783 -0.644 . . . . 44.1 110.242 177.067 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 62' ' ' MET . . . . . 0.495 ' HA ' ' HB ' ' B' ' 65' ' ' VAL . 19.7 mtp -71.76 -25.1 61.9 Favored 'General case' 0 N--CA 1.461 0.097 0 CA-C-N 116.436 -0.347 . . . . 71.0 111.344 179.352 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . 0.465 ' HB2' ' O ' ' B' ' 60' ' ' SER . 72.3 mmtt -60.72 -47.89 84.25 Favored 'General case' 0 C--O 1.233 0.217 0 N-CA-C 109.022 -0.733 . . . . 72.03 109.022 172.868 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 29.1 t80 -68.32 -44.77 74.64 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 115.792 -0.64 . . . . 73.11 110.897 176.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 65' ' ' VAL . . . . . 0.506 HG23 ' O ' ' B' ' 61' ' ' ALA . 46.4 t -56.36 -50.74 70.49 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.208 0 CA-C-O 120.849 0.357 . . . . 75.05 110.783 -179.602 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -56.43 -32.8 65.23 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.285 -0.416 . . . . 74.13 110.463 179.703 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -69.51 -35.87 76.0 Favored Glycine 0 N--CA 1.452 -0.291 0 CA-C-N 115.661 -0.699 . . . . 75.04 112.209 -178.474 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -91.5 -13.66 31.8 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.381 0.61 . . . . 64.5 109.394 -176.8 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 15.9 m-80 -95.29 2.27 54.73 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.104 -0.953 . . . . 65.21 110.744 176.237 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 2.5 mptp? 60.88 26.05 15.95 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 115.795 -0.639 . . . . 73.12 111.492 175.029 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -117.78 165.55 13.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.711 -0.677 . . . . 74.24 110.101 179.576 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 34.5 p -120.78 141.33 50.61 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.402 -0.363 . . . . 74.12 110.561 179.331 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 73' ' ' LEU . . . . . 0.431 ' HA ' ' HD3' ' B' ' 74' ' ' PRO . 96.9 mt -109.39 137.65 20.32 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-N 116.222 -0.445 . . . . 75.15 110.003 177.307 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 74' ' ' PRO . . . . . 0.511 ' HD2' HD11 ' B' ' 103' ' ' LEU . 39.7 Cg_exo -62.56 151.81 81.14 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.728 2.285 . . . . 62.01 111.98 177.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -77.13 -24.0 51.68 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.35 0.595 . . . . 71.53 111.324 -179.03 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -82.76 23.47 0.81 Allowed 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.171 -0.922 . . . . 60.22 111.874 -173.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 77' ' ' THR . . . . . . . . . . . . . 7.9 t -94.94 159.94 14.8 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.088 0.471 . . . . 73.25 111.78 -175.791 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 25.6 m -154.54 150.84 28.19 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 115.886 -0.597 . . . . 71.23 109.725 -178.453 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 73.5 t -125.17 117.93 51.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 N-CA-C 109.995 -0.372 . . . . 54.24 109.995 175.244 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 21.2 m -101.58 110.49 22.49 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 120.949 0.404 . . . . 72.42 110.44 -179.3 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 81' ' ' ALA . . . . . 0.567 ' HB2' ' HB3' ' B' ' 55' ' ' SER . . . -94.24 107.58 19.51 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.796 -0.638 . . . . 73.43 110.854 -179.042 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 82' ' ' GLU . . . . . 0.612 ' HB3' ' HB3' ' B' ' 98' ' ' GLU . 35.2 tt0 -90.8 139.95 30.26 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.17 -0.678 . . . . 71.23 109.17 172.789 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . 0.48 HG21 ' HB2' ' B' ' 47' ' ' GLU . 9.0 p -142.42 136.64 28.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-O 120.811 0.339 . . . . 71.44 110.211 179.736 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 84' ' ' GLY . . . . . 0.424 ' HA2' ' HA ' ' A' ' 6' ' ' LYS . . . -140.57 165.53 26.09 Favored Glycine 0 N--CA 1.447 -0.594 0 N-CA-C 111.807 -0.517 . . . . 52.45 111.807 178.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -145.05 131.21 14.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 N-CA-C 109.546 -0.539 . . . . 73.1 109.546 -178.144 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 86' ' ' GLY . . . . . 0.435 ' HA2' ' HG ' ' A' ' 4' ' ' LEU . . . -155.63 169.63 33.46 Favored Glycine 0 N--CA 1.452 -0.256 0 CA-C-N 115.477 -0.783 . . . . 52.3 111.237 177.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 87' ' ' PRO . . . . . 0.748 ' HD3' ' HG ' ' A' ' 4' ' ' LEU . 5.4 Cg_exo -79.22 124.17 5.87 Favored 'Trans proline' 0 N--CA 1.458 -0.61 0 C-N-CA 122.736 2.291 . . . . 61.3 110.959 176.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 88' ' ' ASN . . . . . . . . . . . . . 36.5 p30 -76.45 167.4 21.91 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.433 -0.348 . . . . 72.3 110.393 178.792 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -66.65 -15.74 63.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 65.22 111.426 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -78.35 -21.21 49.84 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-N 115.8 -0.636 . . . . 74.05 111.52 -177.456 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.2 35.14 3.47 Favored Glycine 0 CA--C 1.517 0.163 0 CA-C-N 116.212 -0.449 . . . . 72.2 112.711 177.408 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 92' ' ' GLY . . . . . 0.479 ' O ' ' HA ' ' B' ' 87' ' ' PRO . . . -146.07 -166.75 12.21 Favored Glycine 0 N--CA 1.452 -0.27 0 N-CA-C 111.086 -0.806 . . . . 70.13 111.086 177.288 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 93' ' ' PHE . . . . . . . . . . . . . 54.0 m-85 -97.72 149.3 22.45 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.612 -0.514 . . . . 73.12 109.612 178.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 94' ' ' ALA . . . . . 0.458 ' O ' ' HE1' ' A' ' 1' ' ' MET . . . -144.5 140.36 28.83 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.441 -0.345 . . . . 62.21 110.136 -177.146 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -100.09 127.93 46.26 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.676 -0.693 . . . . 74.21 109.932 179.171 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 96' ' ' ASP . . . . . 0.591 ' HB2' ' SD ' ' A' ' 1' ' ' MET . 18.4 t70 -109.88 110.2 21.08 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 108.317 -0.994 . . . . 73.53 108.317 177.447 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 97' ' ' VAL . . . . . 0.805 ' HB ' HG22 ' B' ' 134' ' ' VAL . 47.3 t -116.94 146.52 21.25 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 CA-C-N 116.217 -0.447 . . . . 65.34 110.616 -174.411 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 98' ' ' GLU . . . . . 0.612 ' HB3' ' HB3' ' B' ' 82' ' ' GLU . 34.3 tt0 -139.98 109.0 6.03 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.114 -0.493 . . . . 74.42 109.72 -178.621 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 96.0 mt -96.91 110.8 23.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.489 -0.323 . . . . 61.12 110.322 -178.191 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 100' ' ' ARG . . . . . 0.448 ' HA ' ' O ' ' B' ' 137' ' ' VAL . 97.4 mtt180 -99.37 118.15 35.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.105 -0.498 . . . . 64.11 110.012 -178.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 101' ' ' VAL . . . . . 0.406 HG21 HG22 ' B' ' 115' ' ' VAL . 92.3 t -100.81 100.23 9.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 116.113 -0.494 . . . . 60.12 110.16 -177.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 102' ' ' ALA . . . . . 0.473 ' HA ' ' HB3' ' B' ' 139' ' ' ALA . . . -91.82 101.23 13.82 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 108.951 -0.759 . . . . 53.32 108.951 177.013 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 103' ' ' LEU . . . . . 0.55 HD12 ' HD2' ' B' ' 104' ' ' PRO . 14.5 tp -124.19 106.74 30.62 Favored Pre-proline 0 C--N 1.325 -0.495 0 N-CA-C 108.924 -0.769 . . . . 72.24 108.924 -176.258 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 104' ' ' PRO . . . . . 0.55 ' HD2' HD12 ' B' ' 103' ' ' LEU . 69.5 Cg_endo -72.88 153.65 53.14 Favored 'Trans proline' 0 C--N 1.347 0.488 0 C-N-CA 123.199 2.599 . . . . 74.24 112.969 -173.222 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 105' ' ' GLY . . . . . . . . . . . . . . . 72.36 15.25 77.1 Favored Glycine 0 C--N 1.331 0.252 0 CA-C-N 116.008 -0.542 . . . . 72.34 112.469 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 106' ' ' LEU . . . . . 0.535 HD22 HD23 ' B' ' 103' ' ' LEU . 21.8 tp -130.98 144.23 51.32 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 122.794 0.438 . . . . 60.53 110.631 -174.433 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 107' ' ' ASP . . . . . 0.404 ' O ' ' HB2' ' B' ' 111' ' ' ALA . 2.0 t70 -74.82 163.26 27.86 Favored 'General case' 0 CA--C 1.511 -0.548 0 CA-C-O 120.844 0.354 . . . . 63.12 110.784 178.437 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 108' ' ' ALA . . . . . 0.512 ' O ' ' HG3' ' B' ' 112' ' ' LYS . . . -68.55 -45.32 72.46 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.298 -0.865 . . . . 34.32 110.023 170.411 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 109' ' ' ALA . . . . . 0.427 ' HA ' ' HE2' ' B' ' 112' ' ' LYS . . . -60.45 -49.54 77.16 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.67 -0.695 . . . . 64.51 110.469 -176.509 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 110' ' ' ALA . . . . . 0.516 ' O ' ' HG ' ' B' ' 114' ' ' LEU . . . -69.34 -41.61 76.41 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.516 -0.765 . . . . 72.03 110.096 179.147 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 111' ' ' ALA . . . . . 0.51 ' HA ' HD21 ' B' ' 106' ' ' LEU . . . -54.91 -41.68 71.25 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 115.96 -0.564 . . . . 64.14 111.292 179.631 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 112' ' ' LYS . . . . . 0.512 ' HG3' ' O ' ' B' ' 108' ' ' ALA . 49.2 mtmt -54.24 -49.48 69.38 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.797 0.332 . . . . 74.45 111.122 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 113' ' ' THR . . . . . 0.48 HG22 ' O ' ' B' ' 110' ' ' ALA . 1.1 t -70.48 -34.2 72.11 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.237 -0.438 . . . . 72.03 110.463 -177.184 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 114' ' ' LEU . . . . . 0.516 ' HG ' ' O ' ' B' ' 110' ' ' ALA . 43.0 mt -66.17 -39.04 89.46 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 121.149 0.5 . . . . 70.23 109.913 177.433 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 115' ' ' VAL . . . . . 0.583 HG21 HG12 ' B' ' 138' ' ' VAL . 76.9 t -66.77 -37.79 80.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.695 -0.684 . . . . 63.55 110.065 175.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -58.82 -60.71 3.41 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.019 -0.537 . . . . 75.43 110.958 177.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 117' ' ' ARG . . . . . . . . . . . . . 14.2 ptm180 -62.28 -39.65 93.63 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 115.977 -0.556 . . . . 70.2 110.717 -177.651 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -60.33 -39.36 86.81 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.999 0.428 . . . . 61.11 110.204 176.232 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 59.2 m80 -88.99 10.76 20.35 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 115.977 -0.556 . . . . 74.31 111.227 178.582 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 10.1 t60 -108.49 -40.22 5.18 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.17 -0.468 . . . . 61.52 110.034 179.046 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 34.8 m -86.47 -34.42 7.92 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.249 0 CA-C-N 116.079 -0.51 . . . . 63.42 112.113 -175.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 122' ' ' CYS . . . . . 0.443 ' HA ' ' HD3' ' B' ' 123' ' ' PRO . 60.8 m -77.95 135.1 63.4 Favored Pre-proline 0 CA--C 1.537 0.46 0 CA-C-O 120.531 0.205 . . . . 74.53 110.762 -177.735 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 123' ' ' PRO . . . . . 0.443 ' HD3' ' HA ' ' B' ' 122' ' ' CYS . 52.6 Cg_exo -54.2 -63.19 0.23 Allowed 'Trans proline' 0 C--N 1.349 0.604 0 C-N-CA 123.102 2.535 . . . . 65.25 112.904 -176.673 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 124' ' ' TYR . . . . . 0.472 ' O ' ' HB ' ' B' ' 128' ' ' THR . 28.6 m-85 . . . . . 0 N--CA 1.465 0.321 0 CA-C-N 116.136 -0.484 . . . . 65.35 111.406 -176.595 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 128' ' ' THR . . . . . 0.472 ' HB ' ' O ' ' B' ' 124' ' ' TYR . 1.2 t . . . . . 0 CA--C 1.517 -0.289 0 N-CA-C 109.479 -0.563 . . . . 55.14 109.479 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 129' ' ' ARG . . . . . . . . . . . . . 13.9 ptm180 -102.49 -45.36 5.09 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.634 -0.712 . . . . 75.21 109.35 -175.222 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 130' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -78.9 -28.38 43.98 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.182 -0.917 . . . . 74.14 111.432 -179.175 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 131' ' ' ASN . . . . . 0.425 HD22 ' C ' ' B' ' 131' ' ' ASN . 0.2 OUTLIER -102.81 -39.41 7.0 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 116.146 -0.479 . . . . 75.43 110.78 -174.67 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 132' ' ' VAL . . . . . 0.406 HG12 ' N ' ' B' ' 133' ' ' ALA . 34.1 t -115.35 157.91 15.89 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 CA-C-O 120.941 0.4 . . . . 52.13 111.186 -172.048 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 133' ' ' ALA . . . . . 0.406 ' N ' HG12 ' B' ' 132' ' ' VAL . . . -84.44 90.32 7.58 Favored 'General case' 0 C--O 1.241 0.63 0 CA-C-O 121.655 0.741 . . . . 72.23 110.449 178.844 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 134' ' ' VAL . . . . . 0.805 HG22 ' HB ' ' B' ' 97' ' ' VAL . 59.1 t -127.74 122.97 60.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 114.846 -1.07 . . . . 61.1 110.958 -176.806 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 135' ' ' ARG . . . . . 0.415 HH12 ' CG ' ' B' ' 96' ' ' ASP . 87.5 mtm-85 -84.87 119.52 25.43 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.31 -0.404 . . . . 74.32 110.075 175.009 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 73.9 mt -85.86 104.65 15.72 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-O 121.182 0.515 . . . . 72.41 109.785 174.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 137' ' ' VAL . . . . . 0.448 ' O ' ' HA ' ' B' ' 100' ' ' ARG . 0.1 OUTLIER -115.95 127.85 73.41 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-N 114.825 -1.08 . . . . 72.22 109.778 -176.511 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 138' ' ' VAL . . . . . 0.583 HG12 HG21 ' B' ' 115' ' ' VAL . 3.6 m -100.38 138.27 25.23 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 N-CA-C 109.478 -0.564 . . . . 70.52 109.478 -178.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 139' ' ' ALA . . . . . 0.473 ' HB3' ' HA ' ' B' ' 102' ' ' ALA . . . . . . . . 0 C--O 1.25 1.101 0 CA-C-O 118.578 -0.725 . . . . 71.35 110.67 -172.494 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.5 ptt? . . . . . 0 N--CA 1.483 1.177 0 CA-C-O 120.726 0.298 . . . . 71.43 110.293 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 41.7 t30 -69.8 76.54 0.45 Allowed 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 116.089 -0.505 . . . . 75.52 110.868 176.644 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.445 HG21 ' HB2' ' A' ' 6' ' ' LYS . 30.8 mm -73.82 133.96 30.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 116.031 -0.532 . . . . 51.02 111.235 174.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.64 ' HG ' ' HD3' ' B' ' 87' ' ' PRO . 89.6 mt -89.85 -49.5 6.58 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.58 -0.737 . . . . 74.21 109.848 174.263 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 42.1 t80 -131.99 131.48 42.6 Favored 'General case' 0 CA--C 1.517 -0.293 0 CA-C-N 115.903 -0.589 . . . . 54.43 109.652 -177.068 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.445 ' HB2' HG21 ' A' ' 3' ' ' ILE . 37.8 ttmt -136.05 143.72 44.85 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.456 -0.338 . . . . 62.42 110.663 176.627 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 10.3 t -147.71 146.01 29.09 Favored 'General case' 0 C--O 1.239 0.501 0 CA-C-N 115.809 -0.632 . . . . 73.02 109.458 176.597 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -112.07 134.63 53.5 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.141 0.496 . . . . 64.34 110.954 -178.388 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -129.29 121.79 28.26 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.883 -0.598 . . . . 65.14 109.486 177.097 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.567 ' HA ' ' HA ' ' B' ' 80' ' ' THR . 14.5 t -99.39 146.09 26.68 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.708 -0.478 . . . . 73.43 109.708 -177.81 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 26.6 p -130.47 113.51 14.38 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 121.036 0.446 . . . . 71.32 110.379 -178.117 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.5 m -92.88 154.91 17.93 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.811 -0.631 . . . . 72.12 110.438 -178.511 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -81.03 77.72 1.99 Allowed Glycine 0 N--CA 1.447 -0.625 0 C-N-CA 120.748 -0.739 . . . . 62.44 111.884 176.7 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -61.76 -129.17 0.01 OUTLIER Glycine 0 CA--C 1.527 0.815 0 C-N-CA 121.05 -0.595 . . . . 62.02 112.426 172.07 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 26.5 tpt180 -70.36 -51.86 26.86 Favored 'General case' 0 N--CA 1.465 0.276 0 O-C-N 122.247 -0.56 . . . . 73.04 110.081 177.127 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.524 ' HB3' ' HA ' ' A' ' 31' ' ' SER . 17.2 t70 -125.56 -42.33 1.96 Allowed 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 108.912 -0.773 . . . . 74.22 108.912 175.651 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -164.28 152.71 22.63 Favored Glycine 0 C--N 1.341 0.842 0 C-N-CA 119.946 -1.121 . . . . 73.12 112.083 167.392 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.518 ' HA ' ' HA ' ' A' ' 29' ' ' LYS . 65.8 ttt180 -126.42 150.43 48.64 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 108.667 -0.864 . . . . 73.24 108.667 173.054 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.515 ' HB1' ' HB1' ' B' ' 52' ' ' ALA . . . -140.13 123.8 17.26 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.658 -0.497 . . . . 71.12 109.658 -179.125 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 62.5 m -142.42 114.82 8.42 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.028 -0.533 . . . . 63.53 110.976 -173.664 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.623 ' HB3' ' N ' ' A' ' 26' ' ' LEU . 27.5 t -71.1 111.45 6.47 Favored 'General case' 0 C--O 1.245 0.83 0 N-CA-C 107.38 -1.341 . . . . 62.3 107.38 173.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 59.2 t-80 -55.34 -24.47 29.34 Favored 'General case' 0 N--CA 1.466 0.354 0 O-C-N 125.737 1.898 . . . . 71.44 111.894 -166.483 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.498 ' HB3' ' HE2' ' A' ' 25' ' ' LYS . 30.7 t70 -80.69 15.35 1.75 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.153 -0.476 . . . . 73.43 110.246 -179.045 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 31.7 mm-40 68.73 17.04 8.91 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 115.756 -0.656 . . . . 72.53 110.329 -178.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.498 ' HE2' ' HB3' ' A' ' 23' ' ' ASP . 56.5 mtmt -85.91 -13.29 48.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.698 -0.683 . . . . 73.44 110.851 179.1 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.623 ' N ' ' HB3' ' A' ' 21' ' ' SER . 42.7 tp -156.96 146.22 20.31 Favored 'General case' 0 C--O 1.222 -0.357 0 C-N-CA 120.282 -0.567 . . . . 74.42 111.009 172.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -161.26 99.78 1.19 Allowed 'General case' 0 N--CA 1.466 0.328 0 O-C-N 123.447 0.467 . . . . 74.13 110.661 174.685 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 2.7 m -148.86 177.81 0.82 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.61 0 C-N-CA 122.734 0.413 . . . . 62.12 111.273 176.768 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.518 ' HA ' ' HA ' ' A' ' 18' ' ' ARG . 0.0 OUTLIER -124.59 142.4 51.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.806 -0.634 . . . . 62.42 110.167 177.771 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.577 ' HB2' ' O ' ' A' ' 44' ' ' THR . 0.0 OUTLIER -124.5 166.22 16.42 Favored 'General case' 0 C--O 1.25 1.087 0 CA-C-N 116.047 -0.524 . . . . 64.12 109.618 175.316 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.524 ' HA ' ' HB3' ' A' ' 16' ' ' ASP . 58.4 p -173.74 134.15 0.47 Allowed 'General case' 0 N--CA 1.445 -0.694 0 CA-C-N 115.959 -0.564 . . . . 75.34 111.504 -172.754 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -74.16 138.95 75.52 Favored Pre-proline 0 C--N 1.322 -0.614 0 N-CA-C 108.715 -0.846 . . . . 52.21 108.715 168.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -73.12 40.64 0.52 Allowed 'Trans proline' 0 CA--C 1.535 0.537 0 C-N-CA 122.726 2.284 . . . . 73.33 111.838 178.539 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.516 ' O ' ' N ' ' A' ' 36' ' ' LEU . 9.4 ttt180 57.48 -88.73 0.02 OUTLIER 'General case' 0 N--CA 1.449 -0.509 0 C-N-CA 123.674 0.79 . . . . 50.12 110.824 -176.125 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 51.27 -75.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 O-C-N 124.21 0.944 . . . . 75.14 112.708 178.45 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.516 ' N ' ' O ' ' A' ' 34' ' ' ARG . 40.3 mt -85.87 -27.44 25.04 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.715 -0.675 . . . . 63.44 109.894 -171.793 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 149.45 48.47 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.27 0 CA-C-N 115.741 -0.663 . . . . 72.22 112.627 176.685 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.416 ' H ' ' HA ' ' A' ' 34' ' ' ARG . . . -102.76 -135.92 8.93 Favored Glycine 0 N--CA 1.447 -0.567 0 C-N-CA 120.288 -0.958 . . . . 73.44 111.211 178.708 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -108.78 -36.81 6.04 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.07 0.462 . . . . 63.22 110.619 178.494 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 83.36 96.22 0.58 Allowed Glycine 0 N--CA 1.451 -0.362 0 CA-C-N 115.901 -0.591 . . . . 45.53 112.183 -178.478 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -158.57 158.69 34.42 Favored 'General case' 0 C--O 1.237 0.439 0 CA-C-O 120.842 0.353 . . . . 44.21 111.134 178.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.405 ' H ' ' HG2' ' A' ' 42' ' ' GLU . 10.3 pt-20 -76.12 83.72 2.96 Favored 'General case' 0 C--O 1.238 0.476 0 CA-C-O 122.037 0.922 . . . . 71.23 110.524 178.564 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -145.7 -163.28 10.14 Favored Glycine 0 C--N 1.313 -0.712 0 CA-C-N 114.937 -1.028 . . . . 55.55 111.546 177.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.577 ' O ' ' HB2' ' A' ' 30' ' ' LEU . 28.3 m -100.78 134.69 43.37 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.584 0.231 . . . . 74.01 110.784 -179.016 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -63.93 128.22 92.67 Favored Pre-proline 0 N--CA 1.463 0.208 0 N-CA-C 109.612 -0.514 . . . . 72.33 109.612 169.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 8.3 Cg_endo -51.23 -45.3 37.85 Favored 'Trans proline' 0 CA--C 1.536 0.575 0 C-N-CA 122.737 2.291 . . . . 63.04 112.473 177.456 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -60.25 -44.35 95.35 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-O 121.681 0.753 . . . . 62.13 109.023 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.417 HE21 ' HB3' ' A' ' 48' ' ' GLN . 7.2 tt0 -61.58 -38.29 86.99 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 114.479 -1.237 . . . . 72.35 110.769 178.251 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.446 HD12 ' HA3' ' B' ' 53' ' ' GLY . 3.2 tm? -64.13 -49.45 72.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.605 -0.725 . . . . 71.11 109.872 -178.337 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 46.9 t80 -64.02 -48.24 77.09 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 116.25 -0.432 . . . . 64.45 110.827 178.645 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -53.5 -48.88 68.58 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-O 120.728 0.299 . . . . 52.03 111.446 177.763 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -61.58 -52.67 63.45 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-O 120.941 0.4 . . . . 51.43 110.625 -179.642 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -62.83 -34.83 90.88 Favored Glycine 0 C--O 1.226 -0.361 0 CA-C-N 115.738 -0.664 . . . . 45.35 112.559 -179.093 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -70.84 -43.95 67.47 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 122.618 0.367 . . . . 71.4 110.616 -177.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.536 ' HB3' ' HB2' ' A' ' 81' ' ' ALA . 32.7 p -64.13 -48.17 77.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.798 0.332 . . . . 50.31 110.128 178.169 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.461 ' HB1' HD21 ' B' ' 30' ' ' LEU . . . -61.44 -39.24 90.11 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 115.974 -0.557 . . . . 72.41 110.609 176.673 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 53.5 t -65.41 -36.13 83.01 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.072 -0.513 . . . . 74.4 110.056 178.045 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 12.4 t80 -63.39 -29.76 71.01 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.175 -0.466 . . . . 64.12 109.885 -178.503 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.458 HD21 HG23 ' A' ' 79' ' ' VAL . 95.7 mt -64.42 -54.3 34.8 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 116.046 -0.525 . . . . 74.12 109.822 174.549 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 32.0 t -57.47 -39.35 76.17 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 115.75 -0.659 . . . . 74.4 110.31 177.473 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.412 ' O ' HG23 ' A' ' 65' ' ' VAL . . . -62.03 -48.24 81.14 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.836 -0.62 . . . . 64.15 110.096 178.675 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . 0.411 ' SD ' ' HB1' ' A' ' 118' ' ' ALA . 83.4 mmm -65.5 -25.87 67.67 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.297 -0.411 . . . . 61.32 110.755 178.144 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.13 -47.38 74.29 Favored 'General case' 0 CA--C 1.531 0.214 0 N-CA-C 108.598 -0.89 . . . . 62.32 108.598 175.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 74.7 t80 -65.61 -44.69 85.77 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 115.54 -0.754 . . . . 70.35 110.5 177.336 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.412 HG23 ' O ' ' A' ' 61' ' ' ALA . 53.3 t -57.12 -48.92 81.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.116 -0.493 . . . . 51.41 110.359 177.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.41 -30.41 68.44 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.083 0.468 . . . . 55.45 110.149 177.21 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -72.15 -30.84 64.64 Favored Glycine 0 N--CA 1.454 -0.11 0 CA-C-N 115.463 -0.79 . . . . 65.01 112.205 -178.165 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -94.08 -16.78 23.49 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 109.307 -0.627 . . . . 73.33 109.307 -179.383 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 17.5 m-80 -97.19 5.19 50.53 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.237 -0.892 . . . . 73.35 110.095 177.166 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.401 ' N ' ' HD3' ' A' ' 70' ' ' LYS . 22.9 mmtm 60.45 22.32 11.96 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 114.961 -1.018 . . . . 70.5 111.366 171.615 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -113.76 169.02 9.29 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.843 -0.617 . . . . 65.11 110.904 -177.551 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 32.3 p -123.81 137.87 54.59 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.913 -0.585 . . . . 71.13 110.618 178.324 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.438 ' HA ' ' HD3' ' A' ' 74' ' ' PRO . 94.4 mt -109.38 137.98 20.4 Favored Pre-proline 0 C--N 1.325 -0.492 0 CA-C-N 116.048 -0.524 . . . . 63.13 110.255 178.374 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.44 ' HB2' ' HG2' ' A' ' 104' ' ' PRO . 37.3 Cg_exo -58.09 131.34 42.81 Favored 'Trans proline' 0 C--N 1.349 0.598 0 C-N-CA 122.747 2.298 . . . . 75.32 112.42 -178.563 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -77.32 -1.51 30.21 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 121.008 0.432 . . . . 74.43 111.886 -177.295 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -87.31 5.01 40.55 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.345 0.593 . . . . 72.44 110.855 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.506 ' HB ' HD12 ' A' ' 103' ' ' LEU . 9.9 t -75.81 165.25 25.29 Favored 'General case' 0 C--O 1.238 0.451 0 CA-C-N 115.754 -0.657 . . . . 73.42 112.315 -174.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.551 HG23 ' HA ' ' B' ' 12' ' ' THR . 23.6 m -158.18 149.39 21.05 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 115.517 -0.765 . . . . 65.01 109.455 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.458 HG23 HD21 ' A' ' 59' ' ' LEU . 70.1 t -130.67 126.49 60.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 N-CA-C 110.123 -0.325 . . . . 73.54 110.123 177.727 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 29.1 m -107.43 110.41 22.37 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.892 0.377 . . . . 61.0 110.688 179.106 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.536 ' HB2' ' HB3' ' A' ' 55' ' ' SER . . . -93.48 104.78 16.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.041 -0.527 . . . . 75.0 109.809 177.878 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.464 ' HG2' ' HD3' ' B' ' 6' ' ' LYS . 32.6 tt0 -100.94 107.93 19.54 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.103 -0.703 . . . . 74.0 109.103 178.714 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.628 HG23 HG22 ' A' ' 97' ' ' VAL . 7.5 p -106.35 140.68 23.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.958 -0.565 . . . . 74.25 110.704 -173.449 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.406 ' HA2' ' HA ' ' B' ' 6' ' ' LYS . . . -145.35 170.96 26.57 Favored Glycine 0 N--CA 1.443 -0.885 0 CA-C-N 116.037 -0.529 . . . . 64.22 111.998 179.275 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.466 HD11 ' CD2' ' A' ' 93' ' ' PHE . 0.0 OUTLIER -146.3 139.81 20.55 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 N-CA-C 109.756 -0.461 . . . . 71.32 109.756 -178.046 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -149.68 169.9 29.85 Favored Glycine 0 CA--C 1.517 0.213 0 N-CA-C 110.903 -0.879 . . . . 64.2 110.903 -179.201 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.653 ' HD3' ' HG ' ' B' ' 4' ' ' LEU . 74.5 Cg_endo -73.45 142.04 32.54 Favored 'Trans proline' 0 C--O 1.234 0.305 0 C-N-CA 122.38 2.053 . . . . 75.13 112.054 -176.499 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 49.9 t-20 -99.06 146.03 26.5 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.21 -0.663 . . . . 63.43 109.21 178.551 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -63.92 -15.72 59.77 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-O 120.9 0.381 . . . . 74.31 111.286 -178.489 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -67.32 -25.15 65.87 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-O 121.255 0.55 . . . . 62.35 110.055 174.368 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.22 26.57 6.55 Favored Glycine 0 N--CA 1.451 -0.333 0 CA-C-N 115.507 -0.769 . . . . 52.42 111.664 -176.03 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -132.7 -140.77 4.5 Favored Glycine 0 N--CA 1.45 -0.406 0 N-CA-C 111.193 -0.763 . . . . 74.12 111.193 177.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.466 ' CD2' HD11 ' A' ' 85' ' ' ILE . 43.4 m-85 -119.07 153.8 34.18 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.038 0.447 . . . . 72.25 110.562 -179.86 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -137.41 131.15 31.6 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.492 -0.776 . . . . 73.43 109.18 -179.49 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -95.62 132.29 40.93 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.124 0.488 . . . . 75.45 111.346 -174.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.568 ' HB2' ' SD ' ' B' ' 1' ' ' MET . 13.8 t70 -116.39 110.32 18.52 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.065 -0.97 . . . . 62.1 108.791 178.806 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.764 ' HB ' HG22 ' A' ' 134' ' ' VAL . 46.5 t -120.3 110.72 29.62 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 C-N-CA 120.823 -0.351 . . . . 41.42 110.555 -177.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -98.28 107.58 20.09 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.715 -0.476 . . . . 51.52 109.715 178.489 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 14.7 tp -97.64 108.65 21.42 Favored 'General case' 0 C--O 1.235 0.332 0 N-CA-C 109.614 -0.513 . . . . 73.33 109.614 -176.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.562 ' HA ' ' O ' ' A' ' 137' ' ' VAL . 64.6 mtt180 -99.43 111.76 24.07 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.033 -0.53 . . . . 73.43 110.545 -175.446 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 41.4 t -101.73 100.46 10.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.241 -0.436 . . . . 72.23 110.775 -174.496 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -92.5 101.36 13.8 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 110.285 -0.265 . . . . 73.1 110.285 178.568 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.897 HD23 HD22 ' A' ' 106' ' ' LEU . 22.8 tp -115.22 115.21 42.88 Favored Pre-proline 0 C--N 1.328 -0.362 0 N-CA-C 108.986 -0.746 . . . . 73.31 108.986 178.502 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . 0.555 ' HD2' HD12 ' A' ' 103' ' ' LEU . 60.3 Cg_endo -71.88 149.24 53.32 Favored 'Trans proline' 0 C--O 1.234 0.312 0 C-N-CA 122.948 2.432 . . . . 73.52 113.07 -172.818 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 70.27 15.19 72.24 Favored Glycine 0 CA--C 1.519 0.303 0 CA-C-N 115.41 -0.814 . . . . 54.45 112.753 -179.216 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.897 HD22 HD23 ' A' ' 103' ' ' LEU . 32.2 tp -118.83 142.16 47.98 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 122.742 0.417 . . . . 65.03 110.609 -176.236 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -75.39 163.17 27.71 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-O 120.846 0.355 . . . . 72.42 110.974 179.702 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -64.75 -45.95 84.25 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.4 -0.818 . . . . 74.35 110.218 170.54 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -64.2 -49.76 70.76 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 115.509 -0.769 . . . . 64.13 110.665 -176.44 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 0.545 ' O ' HG22 ' A' ' 113' ' ' THR . . . -66.48 -43.45 85.37 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.675 -0.693 . . . . 73.25 109.776 -178.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . 0.503 ' HA ' HD21 ' A' ' 106' ' ' LEU . . . -54.72 -46.32 74.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.949 -0.569 . . . . 54.13 111.357 177.549 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . 0.423 ' O ' ' HB2' ' A' ' 116' ' ' ASP . 63.1 mmtt -54.48 -36.51 64.23 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 116.426 -0.352 . . . . 74.23 111.397 179.628 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . 0.545 HG22 ' O ' ' A' ' 110' ' ' ALA . 0.7 OUTLIER -82.24 -37.37 26.05 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-O 120.668 0.27 . . . . 74.22 110.969 -177.889 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.497 ' HG ' ' O ' ' A' ' 110' ' ' ALA . 55.4 mt -65.53 -49.48 68.78 Favored 'General case' 0 C--O 1.231 0.11 0 CA-C-O 120.884 0.373 . . . . 61.01 110.372 -177.812 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.408 ' O ' ' HB2' ' A' ' 119' ' ' HIS . 63.6 t -64.78 -32.86 59.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.859 -0.609 . . . . 72.22 110.102 179.017 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . 0.423 ' HB2' ' O ' ' A' ' 112' ' ' LYS . 10.8 t70 -61.17 -60.97 2.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.695 -0.684 . . . . 63.5 110.369 179.803 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 12.8 ptm180 -68.56 -37.43 79.91 Favored 'General case' 0 N--CA 1.457 -0.096 0 CA-C-N 116.292 -0.413 . . . . 65.24 111.052 -175.549 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . 0.411 ' HB1' ' SD ' ' A' ' 62' ' ' MET . . . -59.56 -46.61 88.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.197 0.522 . . . . 63.41 110.41 177.878 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . 0.408 ' HB2' ' O ' ' A' ' 115' ' ' VAL . 1.3 t60 -76.68 -1.76 29.4 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 115.718 -0.674 . . . . 74.13 110.417 -178.855 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 10.1 t60 -98.62 -42.49 7.24 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 115.834 -0.621 . . . . 75.14 110.311 176.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 34.1 m -85.84 -43.52 16.56 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.203 0 N-CA-C 112.566 0.58 . . . . 74.54 112.566 -171.81 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 51.2 t -147.95 66.46 9.59 Favored Pre-proline 0 C--O 1.235 0.298 0 N-CA-C 112.432 0.53 . . . . 72.12 112.432 -174.626 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 65.1 Cg_endo -92.39 148.46 2.93 Favored 'Trans proline' 0 N--CA 1.456 -0.733 0 C-N-CA 122.749 2.3 . . . . 74.45 110.53 167.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 60.3 t80 -60.2 -23.86 64.35 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 121.289 0.566 . . . . 65.44 110.418 178.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 17.7 p -142.05 106.39 4.81 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.609 -0.723 . . . . 62.44 110.206 178.706 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' ASN . . . . . 0.455 ' O ' ' HG2' ' A' ' 129' ' ' ARG . 16.4 m120 -66.88 -31.77 72.6 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 121.45 0.643 . . . . 73.42 109.452 173.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . 0.497 ' O ' HG23 ' A' ' 132' ' ' VAL . . . -64.77 -5.21 5.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.095 -0.957 . . . . 54.1 112.652 -176.61 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' THR . . . . . 0.488 ' HA ' ' HB ' ' A' ' 132' ' ' VAL . 2.3 t -91.73 -5.68 53.23 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.606 0.717 . . . . 73.21 109.408 -167.174 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . 0.455 ' HG2' ' O ' ' A' ' 126' ' ' ASN . 1.6 ptm180 -120.98 -43.75 2.44 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.059 -0.973 . . . . 72.04 111.013 -176.217 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -78.47 -49.8 12.79 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-O 121.352 0.596 . . . . 71.52 111.099 175.204 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 131' ' ' ASN . . . . . 0.441 ' HB3' ' O ' ' A' ' 127' ' ' ALA . 0.2 OUTLIER -85.17 -40.17 17.01 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.208 -0.905 . . . . 72.12 111.135 -175.336 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . 0.497 HG23 ' O ' ' A' ' 127' ' ' ALA . 18.7 t -111.89 163.64 8.59 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.462 0 CA-C-N 116.149 -0.478 . . . . 70.22 110.578 -175.135 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . 0.426 ' N ' HG12 ' A' ' 132' ' ' VAL . . . -100.08 92.31 5.18 Favored 'General case' 0 C--O 1.243 0.717 0 CA-C-O 121.53 0.681 . . . . 45.42 111.997 -176.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . 0.764 HG22 ' HB ' ' A' ' 97' ' ' VAL . 79.3 t -109.15 121.7 62.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.316 -0.857 . . . . 75.02 110.319 172.005 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . 0.443 ' HD2' ' N ' ' A' ' 135' ' ' ARG . 1.2 mpt_? -86.3 108.02 18.23 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 108.85 -0.796 . . . . 72.41 108.85 177.799 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 59.9 mt -79.85 100.21 7.9 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.53 0.681 . . . . 50.04 110.263 178.217 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . 0.562 ' O ' ' HA ' ' A' ' 100' ' ' ARG . 0.1 OUTLIER -111.88 121.78 65.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 114.918 -1.037 . . . . 74.42 109.433 -177.504 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 5.4 m -97.85 138.92 21.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-O 121.394 0.616 . . . . 53.11 110.268 -175.315 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.308 -1.207 0 CA-C-N 115.15 -0.932 . . . . 73.13 110.856 -175.412 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . 0.568 ' SD ' ' HB2' ' A' ' 96' ' ' ASP . 28.4 ptm . . . . . 0 C--O 1.235 0.299 0 CA-C-O 121.043 0.449 . . . . 72.42 110.843 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 2' ' ' ASN . . . . . 0.523 ' O ' ' HD2' ' A' ' 87' ' ' PRO . 40.4 t30 -97.14 86.08 3.86 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.688 -0.687 . . . . 61.35 109.717 -179.506 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . 0.533 HG21 ' HB2' ' B' ' 6' ' ' LYS . 33.8 mm -69.85 132.31 33.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.425 -0.807 . . . . 72.42 111.639 179.756 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.653 ' HG ' ' HD3' ' A' ' 87' ' ' PRO . 89.3 mt -90.73 -36.98 14.0 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.57 -0.741 . . . . 75.25 110.03 174.266 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 5' ' ' TYR . . . . . . . . . . . . . 14.4 t80 -143.07 130.25 20.83 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 116.126 -0.488 . . . . 75.45 110.502 -179.553 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . 0.533 ' HB2' HG21 ' B' ' 3' ' ' ILE . 31.6 ttmt -142.51 139.73 31.58 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-O 121.237 0.541 . . . . 65.01 111.411 174.378 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 10.0 t -137.5 147.37 45.19 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-N 115.358 -0.837 . . . . 72.52 109.738 177.407 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . 0.43 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . . . -111.56 141.23 45.41 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 121.079 0.466 . . . . 64.22 111.718 -175.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . 0.496 ' HA ' ' HA ' ' B' ' 21' ' ' SER . . . -131.62 117.98 19.44 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.856 -0.611 . . . . 31.45 110.385 178.017 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 65.9 m -99.7 115.86 30.45 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.267 -0.424 . . . . 64.31 110.121 -179.227 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 11' ' ' SER . . . . . 0.441 ' HA ' ' O ' ' B' ' 18' ' ' ARG . 23.1 p -106.31 113.44 26.97 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.147 0.498 . . . . 74.14 110.914 178.491 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . 0.551 ' HA ' HG23 ' A' ' 78' ' ' THR . 2.5 m -81.46 155.01 26.05 Favored 'General case' 0 C--O 1.245 0.86 0 CA-C-N 115.983 -0.553 . . . . 53.42 110.845 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -73.3 75.05 1.0 Allowed Glycine 0 N--CA 1.445 -0.701 0 CA-C-N 115.475 -0.784 . . . . 71.12 111.587 174.429 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -66.15 -151.34 0.13 Allowed Glycine 0 C--N 1.332 0.308 0 C-N-CA 121.292 -0.48 . . . . 73.4 111.953 174.07 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 50.9 mtt180 -70.88 -40.3 72.34 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 122.307 -0.525 . . . . 65.14 110.453 177.37 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 16' ' ' ASP . . . . . 0.517 ' HB3' ' HA ' ' B' ' 31' ' ' SER . 14.7 t70 -126.33 -43.24 1.78 Allowed 'General case' 0 N--CA 1.466 0.344 0 N-CA-C 109.786 -0.449 . . . . 65.33 109.786 168.583 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -167.82 146.45 10.6 Favored Glycine 0 C--N 1.34 0.805 0 C-N-CA 120.21 -0.995 . . . . 74.22 112.249 164.521 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 18' ' ' ARG . . . . . 0.441 ' O ' ' HA ' ' B' ' 11' ' ' SER . 0.0 OUTLIER -126.21 104.11 8.04 Favored 'General case' 0 C--O 1.222 -0.386 0 N-CA-C 108.98 -0.748 . . . . 74.4 108.98 178.308 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -102.34 123.61 46.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.764 0.316 . . . . 64.21 110.949 -173.461 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 20' ' ' THR . . . . . 0.408 HG23 ' O ' ' B' ' 26' ' ' LEU . 89.2 m -134.2 115.05 13.73 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.295 -0.412 . . . . 75.11 110.209 -178.021 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 21' ' ' SER . . . . . 0.596 ' HB3' ' N ' ' B' ' 26' ' ' LEU . 10.9 t -64.77 108.51 1.76 Allowed 'General case' 0 C--O 1.25 1.081 0 N-CA-C 107.985 -1.117 . . . . 74.21 107.985 175.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 22' ' ' HIS . . . . . 0.417 ' C ' ' H ' ' B' ' 24' ' ' GLN . 28.7 t-80 -55.82 -20.19 14.32 Favored 'General case' 0 C--N 1.347 0.476 0 O-C-N 126.48 2.363 . . . . 73.12 112.088 -170.772 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -80.36 14.43 1.98 Allowed 'General case' 0 C--N 1.316 -0.87 0 N-CA-C 109.477 -0.564 . . . . 63.54 109.477 179.03 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 24' ' ' GLN . . . . . 0.417 ' H ' ' C ' ' B' ' 22' ' ' HIS . 26.6 mm-40 66.16 24.07 10.87 Favored 'General case' 0 CA--C 1.517 -0.32 0 CA-C-N 114.963 -1.017 . . . . 71.43 109.366 178.336 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 24.4 mtmm -93.86 -23.9 17.95 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 114.891 -1.05 . . . . 41.25 111.422 -179.396 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . 0.596 ' N ' ' HB3' ' B' ' 21' ' ' SER . 42.6 tp -148.57 146.73 28.4 Favored 'General case' 0 CA--C 1.5 -0.961 0 C-N-CA 119.018 -1.073 . . . . 71.52 111.963 -178.156 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -150.65 98.24 2.6 Favored 'General case' 0 N--CA 1.443 -0.814 0 CA-C-N 114.956 -1.02 . . . . 53.33 109.653 178.508 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 3.0 m -143.86 178.2 1.92 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.39 0 CA-C-O 121.387 0.613 . . . . 74.12 111.471 178.315 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.685 ' HE3' ' HG3' ' B' ' 42' ' ' GLU . 0.3 OUTLIER -146.68 141.27 26.66 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.29 -0.868 . . . . 64.31 109.621 -178.939 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . 0.743 ' HA ' ' H ' ' B' ' 44' ' ' THR . 0.0 OUTLIER -126.48 164.88 20.17 Favored 'General case' 0 C--O 1.254 1.304 0 CA-C-O 121.183 0.516 . . . . 72.32 111.231 -176.916 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 31' ' ' SER . . . . . 0.517 ' HA ' ' HB3' ' B' ' 16' ' ' ASP . 38.2 p -156.43 130.87 8.77 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 114.607 -1.179 . . . . 62.35 111.265 -177.68 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.74 141.73 98.38 Favored Pre-proline 0 C--O 1.241 0.609 0 CA-C-N 116.039 -0.528 . . . . 75.13 111.202 178.722 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 33' ' ' PRO . . . . . 0.437 ' HG2' HD12 ' B' ' 36' ' ' LEU . 12.3 Cg_endo -55.04 125.89 20.71 Favored 'Trans proline' 0 C--N 1.351 0.688 0 C-N-CA 122.85 2.367 . . . . 71.3 111.595 179.407 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 34' ' ' ARG . . . . . 0.723 ' HB2' ' HA3' ' B' ' 40' ' ' GLY . 6.5 tpt180 -65.62 -20.72 66.42 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.314 -0.403 . . . . 71.43 110.556 -175.159 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 10.7 mp0 -53.04 -31.49 41.67 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 115.545 -0.752 . . . . 72.42 110.871 178.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.437 HD12 ' HG2' ' B' ' 33' ' ' PRO . 37.5 mt -103.28 11.27 37.0 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.728 -0.669 . . . . 63.52 111.079 -174.599 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 90.37 22.04 35.98 Favored Glycine 0 N--CA 1.452 -0.241 0 CA-C-N 115.865 -0.607 . . . . 51.22 112.408 -177.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -84.77 -130.35 2.11 Favored Glycine 0 C--N 1.336 0.534 0 C-N-CA 121.187 -0.53 . . . . 64.12 112.302 -178.484 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -114.58 -26.71 7.78 Favored 'General case' 0 N--CA 1.465 0.28 0 N-CA-C 111.808 0.299 . . . . 71.25 111.808 -177.1 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 40' ' ' GLY . . . . . 0.723 ' HA3' ' HB2' ' B' ' 34' ' ' ARG . . . 46.51 40.38 11.25 Favored Glycine 0 C--N 1.336 0.569 0 O-C-N 123.409 0.443 . . . . 53.13 113.474 -174.879 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -90.76 -171.91 3.2 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.974 0.416 . . . . 45.11 111.021 -177.619 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . 0.685 ' HG3' ' HE3' ' B' ' 29' ' ' LYS . 12.0 pt-20 -80.28 32.18 0.28 Allowed 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 115.86 -0.609 . . . . 74.14 111.492 -177.796 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -112.03 -171.98 18.91 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 121.135 -0.555 . . . . 72.12 112.435 -177.583 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 44' ' ' THR . . . . . 0.743 ' H ' ' HA ' ' B' ' 30' ' ' LEU . 33.7 m -99.42 143.56 29.52 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 110.327 -0.249 . . . . 35.03 110.327 -179.864 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 45' ' ' ASN . . . . . 0.498 ' HB2' ' HB3' ' B' ' 48' ' ' GLN . 2.1 m-20 -63.43 135.28 96.18 Favored Pre-proline 0 C--N 1.325 -0.468 0 N-CA-C 110.177 -0.305 . . . . 71.14 110.177 175.341 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 46' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -59.15 -50.34 8.92 Favored 'Trans proline' 0 C--O 1.237 0.474 0 C-N-CA 122.768 2.312 . . . . 54.41 112.021 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 7.0 pm0 -65.74 -33.03 74.92 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.221 -0.445 . . . . 73.03 110.369 -177.758 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . 0.498 ' HB3' ' HB2' ' B' ' 45' ' ' ASN . 24.8 tt0 -70.27 -39.8 74.72 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.712 -0.676 . . . . 65.22 110.52 177.749 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -63.15 -50.68 69.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.547 -0.751 . . . . 73.15 109.775 -179.363 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 39.0 t80 -62.58 -45.42 93.0 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.824 -0.625 . . . . 74.53 110.851 178.521 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . 0.559 ' HB2' HG11 ' B' ' 83' ' ' VAL . . . -51.66 -53.17 41.71 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.467 -0.333 . . . . 63.22 111.197 177.266 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 52' ' ' ALA . . . . . 0.515 ' HB1' ' HB1' ' A' ' 19' ' ' ALA . . . -63.54 -39.31 94.08 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 115.742 -0.663 . . . . 74.31 110.829 -178.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . 0.446 ' HA3' HD12 ' A' ' 49' ' ' LEU . . . -67.65 -33.73 81.63 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 121.132 -0.556 . . . . 73.22 112.282 178.841 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -72.64 -49.23 33.22 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.891 -0.411 . . . . 73.14 109.891 -179.31 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 55' ' ' SER . . . . . 0.436 ' HB3' ' HB2' ' B' ' 81' ' ' ALA . 45.8 p -63.19 -45.98 89.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.923 0.392 . . . . 71.55 110.572 -179.834 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 56' ' ' ALA . . . . . 0.545 ' HB1' HD21 ' A' ' 30' ' ' LEU . . . -62.62 -42.23 99.46 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.03 -0.532 . . . . 72.32 110.689 178.123 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 57' ' ' CYS . . . . . . . . . . . . . 52.0 t -62.93 -36.64 84.08 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.267 -0.424 . . . . 72.4 109.974 176.653 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 23.1 t80 -63.74 -31.18 72.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.827 -0.624 . . . . 52.32 110.115 -178.046 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 95.6 mt -64.8 -56.58 12.65 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 116.043 -0.526 . . . . 64.41 110.32 176.344 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 60' ' ' SER . . . . . 0.419 ' O ' ' HB3' ' B' ' 63' ' ' LYS . 21.8 t -61.2 -37.45 83.01 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 115.808 -0.633 . . . . 73.23 110.191 -179.847 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 61' ' ' ALA . . . . . 0.448 ' O ' HG23 ' B' ' 65' ' ' VAL . . . -64.77 -43.02 94.61 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 115.921 -0.581 . . . . 44.1 110.027 177.385 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 62' ' ' MET . . . . . 0.528 ' HG3' HD11 ' B' ' 73' ' ' LEU . 3.4 tpt -61.15 -36.91 81.05 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 115.797 -0.638 . . . . 71.0 109.707 177.872 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . 0.419 ' HB3' ' O ' ' B' ' 60' ' ' SER . 22.7 tptp -60.04 -51.95 67.47 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 115.648 -0.705 . . . . 72.03 110.232 175.036 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 81.9 t80 -60.42 -41.57 94.21 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 116.163 -0.471 . . . . 73.11 110.538 179.576 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 65' ' ' VAL . . . . . 0.448 HG23 ' O ' ' B' ' 61' ' ' ALA . 55.4 t -59.17 -46.93 91.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.027 -0.533 . . . . 75.05 110.492 178.247 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -57.31 -30.86 65.1 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.157 -0.474 . . . . 74.13 110.558 179.556 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -71.94 -28.44 68.7 Favored Glycine 0 N--CA 1.45 -0.393 0 CA-C-N 115.515 -0.766 . . . . 75.04 112.475 -178.438 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 68' ' ' GLN . . . . . 0.417 ' HG3' HD22 ' B' ' 69' ' ' ASN . 9.3 pt20 -99.02 -13.3 19.94 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.361 0.6 . . . . 64.5 109.539 179.546 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 69' ' ' ASN . . . . . 0.417 HD22 ' HG3' ' B' ' 68' ' ' GLN . 0.9 OUTLIER -96.67 -5.25 39.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.416 -0.811 . . . . 65.21 110.681 177.363 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 56.43 39.64 29.94 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-O 121.488 0.661 . . . . 73.12 110.85 176.705 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -121.84 169.61 10.6 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 114.875 -1.057 . . . . 74.24 110.22 178.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 17.0 p -119.25 137.32 53.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.373 -0.376 . . . . 74.12 110.859 -178.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 73' ' ' LEU . . . . . 0.528 HD11 ' HG3' ' B' ' 62' ' ' MET . 81.3 mt -109.6 138.07 20.51 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.348 -0.387 . . . . 75.15 110.784 179.1 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 74' ' ' PRO . . . . . 0.69 ' HD2' HD11 ' B' ' 103' ' ' LEU . 21.8 Cg_exo -67.16 142.4 60.91 Favored 'Trans proline' 0 C--N 1.348 0.535 0 C-N-CA 122.907 2.404 . . . . 62.01 111.826 175.185 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -77.21 -19.59 56.47 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.359 0.503 . . . . 71.53 112.359 -176.047 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -81.29 9.78 6.55 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-O 121.141 0.496 . . . . 60.22 111.601 -175.727 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 77' ' ' THR . . . . . 0.476 ' HB ' HD12 ' B' ' 103' ' ' LEU . 9.8 t -77.1 159.7 29.61 Favored 'General case' 0 CA--C 1.537 0.449 0 N-CA-C 112.349 0.5 . . . . 73.25 112.349 -174.837 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 34.1 m -155.87 153.04 29.08 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 115.646 -0.707 . . . . 71.23 109.683 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 82.6 t -131.4 128.09 60.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 N-CA-C 109.343 -0.614 . . . . 54.24 109.343 174.465 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 80' ' ' THR . . . . . 0.567 ' HA ' ' HA ' ' A' ' 10' ' ' THR . 28.0 m -110.53 116.02 30.65 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.753 0.311 . . . . 72.42 110.782 -178.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 81' ' ' ALA . . . . . 0.436 ' HB2' ' HB3' ' B' ' 55' ' ' SER . . . -93.4 105.28 17.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 73.43 110.225 178.755 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -99.71 107.9 20.1 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.086 -0.709 . . . . 71.23 109.086 178.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . 0.559 HG11 ' HB2' ' B' ' 51' ' ' ALA . 18.8 m -109.67 139.6 32.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 120.89 0.376 . . . . 71.44 111.479 -174.256 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 84' ' ' GLY . . . . . . . . . . . . . . . -132.52 152.1 20.14 Favored Glycine 0 N--CA 1.442 -0.959 0 N-CA-C 110.954 -0.858 . . . . 52.45 110.954 175.738 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -132.24 129.25 59.66 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.859 0 N-CA-C 109.276 -0.638 . . . . 73.1 109.276 -179.52 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 86' ' ' GLY . . . . . 0.486 ' HA2' ' HG ' ' A' ' 4' ' ' LEU . . . -142.16 169.84 25.22 Favored Glycine 0 N--CA 1.451 -0.331 0 O-C-N 124.083 0.864 . . . . 52.3 111.155 -178.341 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 87' ' ' PRO . . . . . 0.64 ' HD3' ' HG ' ' A' ' 4' ' ' LEU . 15.4 Cg_endo -88.75 129.56 2.14 Favored 'Trans proline' 0 N--CA 1.451 -1.025 0 C-N-CA 122.72 2.28 . . . . 61.3 112.598 -176.024 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 88' ' ' ASN . . . . . . . . . . . . . 52.3 t-20 -70.25 140.29 52.35 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.039 -0.982 . . . . 72.3 108.418 173.309 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -61.36 -19.17 61.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.889 0.376 . . . . 65.22 111.016 -177.567 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -71.08 -18.79 62.53 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 115.938 -0.574 . . . . 74.05 111.178 178.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.72 35.53 3.24 Favored Glycine 0 C--O 1.235 0.173 0 CA-C-N 116.01 -0.541 . . . . 72.2 112.614 -179.392 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . -135.19 -170.62 12.19 Favored Glycine 0 N--CA 1.452 -0.286 0 N-CA-C 111.063 -0.815 . . . . 70.13 111.063 175.494 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 93' ' ' PHE . . . . . . . . . . . . . 59.2 m-85 -103.29 151.53 22.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 117.13 0.465 . . . . 73.12 110.379 177.199 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -138.59 131.4 29.42 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.916 -0.583 . . . . 62.21 110.001 -177.655 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -101.71 125.67 48.42 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.084 -0.507 . . . . 74.21 111.002 -178.572 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 96' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -114.78 110.54 19.86 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.31 -0.859 . . . . 73.53 109.317 175.547 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 97' ' ' VAL . . . . . 0.495 HG13 HG13 ' B' ' 134' ' ' VAL . 1.5 p -114.52 117.34 55.3 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 CA-C-O 121.695 0.759 . . . . 65.34 111.231 -176.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -100.56 110.55 22.71 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 114.742 -1.117 . . . . 74.42 109.34 -179.504 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 89.9 mt -94.04 109.8 21.53 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.836 -0.431 . . . . 61.12 109.836 -179.169 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 100' ' ' ARG . . . . . 0.585 ' HA ' ' O ' ' B' ' 137' ' ' VAL . 42.4 ttt180 -99.32 109.58 22.19 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.455 -0.793 . . . . 64.11 109.761 -174.203 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 101' ' ' VAL . . . . . 0.424 HG21 HG22 ' B' ' 115' ' ' VAL . 73.5 t -95.94 112.21 27.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 115.73 -0.668 . . . . 60.12 111.448 -173.129 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 102' ' ' ALA . . . . . 0.513 ' HA ' ' HB3' ' B' ' 139' ' ' ALA . . . -107.74 101.49 10.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.938 0.399 . . . . 53.32 110.463 178.351 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 103' ' ' LEU . . . . . 0.739 HD23 HD22 ' B' ' 106' ' ' LEU . 29.0 tp -118.48 119.21 33.13 Favored Pre-proline 0 C--N 1.326 -0.441 0 N-CA-C 108.737 -0.838 . . . . 72.24 108.737 177.168 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 104' ' ' PRO . . . . . 0.537 ' HG2' ' HB2' ' B' ' 74' ' ' PRO . 39.6 Cg_endo -67.54 144.52 67.1 Favored 'Trans proline' 0 N--CA 1.462 -0.361 0 C-N-CA 122.59 2.193 . . . . 74.24 112.527 -176.227 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 105' ' ' GLY . . . . . . . . . . . . . . . 70.47 13.78 71.38 Favored Glycine 0 CA--C 1.521 0.434 0 CA-C-N 115.27 -0.877 . . . . 72.34 112.865 -178.174 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 106' ' ' LEU . . . . . 0.739 HD22 HD23 ' B' ' 103' ' ' LEU . 38.5 tp -112.96 139.43 48.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.86 0.362 . . . . 60.53 110.831 -177.628 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 107' ' ' ASP . . . . . 0.409 ' HB3' ' H ' ' B' ' 110' ' ' ALA . 1.8 t70 -77.46 166.67 22.8 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 115.928 -0.578 . . . . 63.12 110.584 -179.816 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -68.98 -44.53 72.67 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.407 -0.815 . . . . 34.32 110.142 170.728 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -64.73 -46.51 81.95 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.666 -0.697 . . . . 64.51 110.603 -177.293 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 110' ' ' ALA . . . . . 0.535 ' O ' ' HG ' ' B' ' 114' ' ' LEU . . . -68.7 -43.71 75.48 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.707 -0.679 . . . . 72.03 109.731 179.255 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 111' ' ' ALA . . . . . 0.561 ' O ' HG23 ' B' ' 115' ' ' VAL . . . -54.59 -43.24 71.97 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.124 -0.489 . . . . 64.14 111.079 178.371 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 112' ' ' LYS . . . . . . . . . . . . . 30.8 mmtm -51.02 -49.34 60.66 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 116.18 -0.464 . . . . 74.45 110.929 -179.573 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 113' ' ' THR . . . . . 0.513 HG22 ' O ' ' B' ' 110' ' ' ALA . 2.8 t -74.88 -37.41 62.17 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 116.27 -0.423 . . . . 72.03 110.821 -175.868 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 114' ' ' LEU . . . . . 0.535 ' HG ' ' O ' ' B' ' 110' ' ' ALA . 30.9 mt -61.52 -44.52 96.9 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.188 -0.46 . . . . 70.23 110.978 -178.218 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 115' ' ' VAL . . . . . 0.561 HG23 ' O ' ' B' ' 111' ' ' ALA . 48.7 t -63.4 -41.58 93.24 Favored 'Isoleucine or valine' 0 C--O 1.243 0.722 0 CA-C-O 121.312 0.577 . . . . 63.55 110.164 178.279 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -54.93 -60.15 3.76 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 115.032 -0.985 . . . . 75.43 110.224 -179.762 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 117' ' ' ARG . . . . . 0.504 ' O ' ' HB3' ' B' ' 120' ' ' HIS . 14.1 ptm180 -66.07 -33.99 77.04 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.527 -0.76 . . . . 70.2 111.032 -177.357 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -58.59 -40.23 82.59 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.827 -0.624 . . . . 61.11 110.655 177.226 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 33.2 m-70 -73.55 -6.32 45.8 Favored 'General case' 0 N--CA 1.466 0.344 0 N-CA-C 112.288 0.477 . . . . 74.31 112.288 178.629 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 120' ' ' HIS . . . . . 0.504 ' HB3' ' O ' ' B' ' 117' ' ' ARG . 19.0 t-80 -72.29 -26.26 61.9 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 120.795 0.331 . . . . 61.52 110.507 175.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 27.6 m -113.64 21.1 6.39 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.31 0 CA-C-N 116.117 -0.492 . . . . 63.42 110.711 -179.734 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 122' ' ' CYS . . . . . 0.412 ' HA ' ' HD3' ' B' ' 123' ' ' PRO . 39.9 t -65.26 129.16 94.34 Favored Pre-proline 0 CA--C 1.534 0.339 0 CA-C-N 115.712 -0.677 . . . . 74.53 111.204 -177.148 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 123' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' B' ' 122' ' ' CYS . 50.2 Cg_exo -56.35 -50.19 12.78 Favored 'Trans proline' 0 C--N 1.356 0.97 0 C-N-CA 122.758 2.305 . . . . 65.25 111.946 178.863 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 124' ' ' TYR . . . . . 0.612 ' HB3' HG21 ' B' ' 128' ' ' THR . 55.9 m-85 . . . . . 0 CA--C 1.532 0.269 0 N-CA-C 107.971 -1.122 . . . . 65.35 107.971 175.549 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 128' ' ' THR . . . . . 0.612 HG21 ' HB3' ' B' ' 124' ' ' TYR . 0.6 OUTLIER . . . . . 0 CA--C 1.535 0.366 0 CA-C-O 120.808 0.337 . . . . 55.14 110.418 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 129' ' ' ARG . . . . . . . . . . . . . 19.3 ptt85 -117.88 -41.9 2.87 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 121.14 0.495 . . . . 75.21 110.823 -178.15 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 130' ' ' ASN . . . . . . . . . . . . . 15.9 m120 -77.73 -49.68 13.94 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.698 -0.683 . . . . 74.14 110.545 178.482 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 131' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -72.81 -43.95 62.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 75.43 111.01 -177.429 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 132' ' ' VAL . . . . . . . . . . . . . 55.7 t -82.11 148.11 5.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.973 -0.558 . . . . 52.13 109.583 177.695 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 133' ' ' ALA . . . . . . . . . . . . . . . -77.24 87.31 3.67 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.414 0.626 . . . . 72.23 111.311 -176.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 134' ' ' VAL . . . . . 0.495 HG13 HG13 ' B' ' 97' ' ' VAL . 11.3 t -103.98 112.75 38.72 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.654 0 CA-C-N 115.482 -0.781 . . . . 61.1 110.255 172.576 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 3.8 mpt_? -88.73 122.48 32.19 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.017 -0.538 . . . . 74.32 110.252 177.293 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 85.0 mt -88.81 117.01 27.5 Favored 'General case' 0 N--CA 1.447 -0.615 0 CA-C-N 116.063 -0.517 . . . . 72.41 109.963 176.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 137' ' ' VAL . . . . . 0.585 ' O ' ' HA ' ' B' ' 100' ' ' ARG . 0.6 OUTLIER -126.66 124.32 64.85 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-N 115.337 -0.847 . . . . 72.22 109.792 -177.48 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 138' ' ' VAL . . . . . . . . . . . . . 2.3 m -90.9 137.7 21.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 N-CA-C 108.943 -0.762 . . . . 70.52 108.943 -179.694 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 139' ' ' ALA . . . . . 0.513 ' HB3' ' HA ' ' B' ' 102' ' ' ALA . . . . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.663 -0.684 . . . . 71.35 111.418 -171.265 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.5 ptm . . . . . 0 N--CA 1.482 1.141 0 N-CA-C 110.232 -0.284 . . . . 71.43 110.232 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . 0.48 ' O ' ' HD2' ' B' ' 87' ' ' PRO . 48.2 t30 -99.42 82.51 2.68 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.286 -0.416 . . . . 75.52 110.008 -179.454 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.508 HG21 ' HB2' ' A' ' 6' ' ' LYS . 32.4 mm -65.32 116.17 4.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 121.092 0.472 . . . . 51.02 111.417 178.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.656 ' HG ' ' HD3' ' B' ' 87' ' ' PRO . 85.7 mt -81.43 -37.36 28.21 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.337 -0.847 . . . . 74.21 109.891 177.333 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 28.0 t80 -141.86 134.49 28.37 Favored 'General case' 0 C--O 1.222 -0.36 0 CA-C-N 115.972 -0.558 . . . . 54.43 110.119 -179.567 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.508 ' HB2' HG21 ' A' ' 3' ' ' ILE . 28.5 ttmt -143.34 141.92 31.12 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.192 0.52 . . . . 62.42 110.944 174.594 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.4 HG21 ' HB2' ' B' ' 48' ' ' GLN . 7.7 t -144.0 166.59 24.53 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 114.99 -1.004 . . . . 73.02 109.369 178.151 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.41 ' HA ' ' HA ' ' B' ' 82' ' ' GLU . . . -131.61 146.77 52.37 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 120.996 0.427 . . . . 64.34 111.798 -175.023 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -138.67 124.64 20.0 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.978 -0.555 . . . . 65.14 110.239 176.63 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.548 ' HA ' ' HA ' ' B' ' 80' ' ' THR . 15.3 t -107.17 142.21 37.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.939 0.399 . . . . 73.43 110.287 -178.873 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 41.8 p -124.84 113.56 18.06 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.167 -0.47 . . . . 71.32 110.345 -178.617 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.597 ' HA ' HG22 ' B' ' 78' ' ' THR . 3.1 m -88.8 156.91 18.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.047 -0.524 . . . . 72.12 111.286 -177.598 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -76.31 73.82 1.76 Allowed Glycine 0 N--CA 1.45 -0.385 0 CA-C-N 116.098 -0.501 . . . . 62.44 111.898 173.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -71.44 -144.97 0.38 Allowed Glycine 0 CA--C 1.521 0.445 0 C-N-CA 121.353 -0.451 . . . . 62.02 112.401 177.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 5.9 tpp180 -54.05 -49.24 69.43 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-O 120.946 0.403 . . . . 73.04 109.95 179.384 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.525 ' HB3' ' HA ' ' A' ' 31' ' ' SER . 29.2 t70 -125.71 -42.56 1.92 Allowed 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 108.74 -0.837 . . . . 74.22 108.74 167.305 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -166.05 165.57 38.2 Favored Glycine 0 N--CA 1.446 -0.672 0 C-N-CA 120.813 -0.708 . . . . 73.12 112.084 167.276 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.522 ' HA ' ' HA ' ' A' ' 29' ' ' LYS . 43.9 mtt-85 -122.04 171.24 9.11 Favored 'General case' 0 C--N 1.321 -0.645 0 C-N-CA 122.824 0.45 . . . . 73.24 109.881 174.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -153.87 123.56 6.72 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 108.943 -0.762 . . . . 71.12 108.943 171.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 32.4 m -140.31 114.24 8.94 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-O 120.693 0.282 . . . . 63.53 110.583 -176.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.514 ' HB3' ' N ' ' A' ' 26' ' ' LEU . 29.1 t -71.61 109.45 5.55 Favored 'General case' 0 C--O 1.248 1.003 0 N-CA-C 107.866 -1.161 . . . . 62.3 107.866 174.849 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.46 ' C ' ' H ' ' A' ' 24' ' ' GLN . 49.8 t-80 -56.78 -21.62 29.94 Favored 'General case' 0 N--CA 1.472 0.656 0 O-C-N 125.982 2.051 . . . . 71.44 112.418 -168.471 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.486 ' HB2' ' HG2' ' A' ' 25' ' ' LYS . 1.3 m-20 -79.91 19.81 0.67 Allowed 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 109.283 -0.636 . . . . 73.43 109.283 178.026 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.46 ' H ' ' C ' ' A' ' 22' ' ' HIS . 25.6 mm-40 64.4 20.61 12.23 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 115.335 -0.848 . . . . 72.53 109.999 177.422 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.486 ' HG2' ' HB2' ' A' ' 23' ' ' ASP . 32.0 mmtp -81.97 -35.88 28.52 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 115.088 -0.96 . . . . 73.44 110.034 -179.404 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.514 ' N ' ' HB3' ' A' ' 21' ' ' SER . 54.1 tp -143.57 145.82 32.82 Favored 'General case' 0 CA--C 1.51 -0.589 0 C-N-CA 120.011 -0.675 . . . . 74.42 111.96 -172.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -155.42 91.4 1.32 Allowed 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 114.733 -1.121 . . . . 74.13 110.156 -178.084 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 5.0 m -139.62 178.13 3.91 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.386 0 CA-C-N 115.949 -0.568 . . . . 62.12 111.697 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.522 ' HA ' ' HA ' ' A' ' 18' ' ' ARG . 4.8 ttpp -137.83 144.2 41.36 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.279 -0.873 . . . . 62.42 110.15 -178.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.678 ' HA ' ' H ' ' A' ' 44' ' ' THR . 0.0 OUTLIER -126.42 162.62 25.14 Favored 'General case' 0 C--O 1.251 1.15 0 CA-C-O 121.045 0.45 . . . . 64.12 110.959 179.362 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.525 ' HA ' ' HB3' ' A' ' 16' ' ' ASP . 30.9 p -171.07 146.02 2.37 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 115.221 -0.9 . . . . 75.34 110.955 -173.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -76.75 125.58 86.98 Favored Pre-proline 0 C--O 1.24 0.568 0 CA-C-N 116.087 -0.506 . . . . 52.21 110.943 -179.434 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -58.88 147.37 89.53 Favored 'Trans proline' 0 C--N 1.35 0.615 0 C-N-CA 122.733 2.289 . . . . 73.33 111.348 176.241 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 30.6 tpt180 -68.78 -16.7 63.87 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.324 -0.398 . . . . 50.12 110.917 -175.122 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -51.69 -37.36 50.37 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 116.126 -0.488 . . . . 75.14 111.116 178.704 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 54.4 mt -102.23 22.25 13.61 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.881 -0.6 . . . . 63.44 110.625 -176.061 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 79.08 25.69 59.27 Favored Glycine 0 N--CA 1.452 -0.252 0 CA-C-N 115.85 -0.613 . . . . 72.22 111.793 -177.502 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -81.1 -128.99 0.92 Allowed Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 121.156 -0.545 . . . . 73.44 111.841 -178.83 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -128.61 -7.1 5.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 122.65 -0.324 . . . . 63.22 111.412 -179.354 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 59.11 26.63 61.43 Favored Glycine 0 C--N 1.329 0.144 0 C-N-CA 121.13 -0.557 . . . . 45.53 112.687 -178.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -79.9 147.27 31.74 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 110.513 -0.18 . . . . 44.21 110.513 -179.771 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -68.83 87.33 0.35 Allowed 'General case' 0 C--O 1.236 0.362 0 CA-C-O 122.157 0.98 . . . . 71.23 110.337 177.742 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -140.26 -144.19 4.45 Favored Glycine 0 C--N 1.311 -0.839 0 CA-C-N 114.353 -1.294 . . . . 55.55 111.604 174.413 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.678 ' H ' ' HA ' ' A' ' 30' ' ' LEU . 85.9 m -143.96 159.88 41.81 Favored 'General case' 0 N--CA 1.444 -0.728 0 N-CA-C 109.815 -0.439 . . . . 74.01 109.815 -179.72 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 44.3 m-20 -91.43 124.88 59.82 Favored Pre-proline 0 C--O 1.236 0.378 0 N-CA-C 109.895 -0.409 . . . . 72.33 109.895 173.148 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -55.21 -34.35 87.68 Favored 'Trans proline' 0 C--N 1.349 0.566 0 C-N-CA 122.786 2.324 . . . . 63.04 112.277 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -58.37 -42.87 87.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.888 -0.597 . . . . 62.13 110.736 179.762 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -65.22 -37.67 87.99 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.943 -0.572 . . . . 72.35 109.706 177.451 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.565 HD12 ' HA3' ' B' ' 53' ' ' GLY . 3.4 tm? -62.4 -48.42 79.79 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 115.469 -0.787 . . . . 71.11 109.979 -178.869 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 62.9 t80 -63.24 -47.08 83.98 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 116.228 -0.442 . . . . 64.45 110.452 177.363 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.419 ' HB2' HG11 ' A' ' 83' ' ' VAL . . . -54.4 -53.11 58.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.946 -0.57 . . . . 52.03 111.65 179.005 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.553 ' HB1' ' HB1' ' B' ' 19' ' ' ALA . . . -65.09 -46.26 81.83 Favored 'General case' 0 C--O 1.237 0.444 0 CA-C-O 121.133 0.492 . . . . 51.43 110.521 -177.866 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.506 ' HA3' HD12 ' B' ' 49' ' ' LEU . . . -60.71 -45.19 96.89 Favored Glycine 0 N--CA 1.447 -0.617 0 CA-C-N 115.486 -0.779 . . . . 45.35 112.612 -179.041 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 7.2 t80 -72.83 -39.53 66.52 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.54 0.17 . . . . 71.4 111.032 -177.691 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.462 ' HB3' ' HB2' ' A' ' 81' ' ' ALA . 61.3 p -62.92 -43.49 98.64 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.882 0.373 . . . . 50.31 110.261 179.708 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.505 ' HB1' HD21 ' B' ' 30' ' ' LEU . . . -70.63 -44.36 67.33 Favored 'General case' 0 CA--C 1.528 0.126 0 CA-C-N 116.021 -0.536 . . . . 72.41 110.442 176.708 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.441 ' SG ' ' HB3' ' B' ' 46' ' ' PRO . 42.5 t -56.43 -35.85 68.31 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 115.84 -0.618 . . . . 74.4 110.455 177.604 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 19.0 t80 -55.59 -31.57 62.34 Favored 'General case' 0 CA--C 1.529 0.135 0 CA-C-N 115.804 -0.635 . . . . 64.12 110.315 -178.311 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 63.4 tp -67.84 -48.5 66.0 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.182 -0.463 . . . . 74.12 110.066 176.617 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.466 ' O ' ' HB3' ' A' ' 63' ' ' LYS . 2.9 m -60.67 -40.59 92.67 Favored 'General case' 0 C--O 1.24 0.567 0 CA-C-O 121.388 0.613 . . . . 74.4 110.167 178.801 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.4 ' O ' HG23 ' A' ' 65' ' ' VAL . . . -62.13 -49.99 73.67 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.656 -0.702 . . . . 64.15 109.92 177.309 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 82.3 mmm -67.55 -20.49 65.41 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.771 -0.65 . . . . 61.32 111.016 178.191 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.466 ' HB3' ' O ' ' A' ' 60' ' ' SER . 7.1 tmtm? -68.06 -48.99 64.07 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 108.841 -0.8 . . . . 62.32 108.841 173.666 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 60.7 t80 -62.51 -40.99 98.5 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 115.888 -0.597 . . . . 70.35 110.246 175.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.4 HG23 ' O ' ' A' ' 61' ' ' ALA . 53.2 t -61.92 -50.38 80.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.017 -0.538 . . . . 51.41 110.744 178.233 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.407 ' HA ' ' HG3' ' A' ' 71' ' ' GLN . . . -56.89 -31.86 65.29 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.985 0.421 . . . . 55.45 110.478 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -68.16 -33.49 78.61 Favored Glycine 0 CA--C 1.517 0.181 0 CA-C-N 115.364 -0.835 . . . . 65.01 112.32 -177.727 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 9.5 pt20 -94.37 -19.15 20.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.208 0.528 . . . . 73.33 109.626 -178.39 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 16.0 m-80 -93.76 2.59 56.21 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.395 -0.82 . . . . 73.35 110.751 -179.192 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 22.5 mmtm 63.0 28.3 16.2 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 115.385 -0.825 . . . . 70.5 111.119 172.019 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.407 ' HG3' ' HA ' ' A' ' 66' ' ' ALA . 2.9 pt20 -122.06 168.61 11.74 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.064 -0.516 . . . . 65.11 110.782 -177.681 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 15.9 p -124.89 142.33 51.52 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.78 -0.645 . . . . 71.13 110.171 178.18 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 95.3 mt -109.22 141.38 23.36 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.407 -0.36 . . . . 63.13 110.304 -179.503 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.437 ' O ' HG22 ' A' ' 77' ' ' THR . 33.0 Cg_endo -64.52 121.75 9.42 Favored 'Trans proline' 0 C--N 1.348 0.548 0 C-N-CA 122.62 2.213 . . . . 75.32 111.967 179.113 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -77.1 1.62 17.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.929 0.395 . . . . 74.43 111.774 -177.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -90.9 0.43 57.5 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.314 0.578 . . . . 72.44 110.637 -179.102 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.558 ' HA ' ' HD3' ' A' ' 104' ' ' PRO . 4.2 t -69.65 160.5 31.47 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.593 -0.73 . . . . 73.42 112.493 -174.215 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 27.7 m -143.26 149.3 37.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 114.882 -1.054 . . . . 65.01 109.407 177.527 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 60.1 t -129.31 149.65 33.87 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 N-CA-C 109.095 -0.705 . . . . 73.54 109.095 179.697 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 48.0 m -135.74 111.87 9.67 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.989 0.423 . . . . 61.0 110.54 172.128 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.462 ' HB2' ' HB3' ' A' ' 55' ' ' SER . . . -93.07 108.89 20.38 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.413 -0.588 . . . . 75.0 109.413 176.475 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.484 ' HG2' ' HD3' ' B' ' 6' ' ' LYS . 41.0 tt0 -109.94 107.62 17.6 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.803 -0.444 . . . . 74.0 109.803 -176.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.615 HG12 HG13 ' A' ' 97' ' ' VAL . 30.0 m -108.89 145.79 15.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.834 0.35 . . . . 74.25 110.99 -176.388 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.483 ' HA2' ' HA ' ' B' ' 6' ' ' LYS . . . -139.28 163.71 25.99 Favored Glycine 0 N--CA 1.446 -0.691 0 C-N-CA 121.274 -0.489 . . . . 64.22 112.014 -179.621 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -135.84 130.75 49.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 N-CA-C 108.916 -0.772 . . . . 71.32 108.916 179.496 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -151.7 169.76 31.17 Favored Glycine 0 N--CA 1.453 -0.183 0 CA-C-N 115.459 -0.791 . . . . 64.2 111.463 -179.456 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.734 ' HD3' ' HG ' ' B' ' 4' ' ' LEU . 6.3 Cg_exo -77.44 121.23 5.54 Favored 'Trans proline' 0 N--CA 1.46 -0.489 0 C-N-CA 122.865 2.376 . . . . 75.13 111.939 -178.578 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . 0.542 ' HB2' ' HB2' ' A' ' 94' ' ' ALA . 24.9 t-20 -74.09 151.82 40.05 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.136 -0.483 . . . . 63.43 109.783 177.733 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -60.56 -13.56 14.86 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 116.343 -0.389 . . . . 74.31 111.766 -178.587 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -68.99 -27.31 65.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.068 0.461 . . . . 62.35 111.111 176.346 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.03 35.25 3.48 Favored Glycine 0 N--CA 1.454 -0.146 0 N-CA-C 111.16 -0.776 . . . . 52.42 111.16 -172.768 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . 0.459 ' O ' ' HA ' ' A' ' 87' ' ' PRO . . . -145.86 -158.71 7.83 Favored Glycine 0 CA--C 1.51 -0.28 0 N-CA-C 111.048 -0.821 . . . . 74.12 111.048 179.804 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 29.8 m-85 -99.51 160.03 14.59 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 117.377 0.589 . . . . 72.25 110.781 178.192 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.542 ' HB2' ' HB2' ' A' ' 88' ' ' ASN . . . -150.71 136.71 18.36 Favored 'General case' 0 C--O 1.239 0.505 0 CA-C-N 115.869 -0.605 . . . . 73.43 109.979 176.038 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -97.49 123.44 41.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.908 -0.587 . . . . 75.45 110.19 177.724 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.411 ' HB3' HD11 ' B' ' 3' ' ' ILE . 27.3 t70 -109.99 110.65 21.64 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.297 -0.865 . . . . 62.1 109.334 178.566 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.615 HG13 HG12 ' A' ' 83' ' ' VAL . 61.3 t -108.47 110.52 32.3 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.929 0 CA-C-N 115.997 -0.547 . . . . 41.42 110.722 -175.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -98.27 106.47 18.77 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.7 -0.482 . . . . 51.52 109.7 175.085 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 27.4 tp -93.94 110.17 21.86 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.091 -0.504 . . . . 73.33 109.843 -178.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.585 ' HA ' ' O ' ' A' ' 137' ' ' VAL . 28.9 ttm180 -99.58 116.89 32.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.63 -0.714 . . . . 73.43 110.454 -177.2 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.434 HG12 ' CD2' ' A' ' 103' ' ' LEU . 34.3 t -112.83 104.0 16.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.357 -0.383 . . . . 72.23 110.675 -174.26 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -105.91 101.67 11.15 Favored 'General case' 0 N--CA 1.466 0.332 0 N-CA-C 112.088 0.403 . . . . 73.1 112.088 -174.178 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.637 ' HB2' HD23 ' A' ' 106' ' ' LEU . 4.0 mm? -101.18 133.68 20.81 Favored Pre-proline 0 N--CA 1.466 0.338 0 CA-C-N 115.935 -0.575 . . . . 73.31 109.797 174.156 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . 0.558 ' HD3' ' HA ' ' A' ' 77' ' ' THR . 74.4 Cg_endo -76.2 148.71 31.09 Favored 'Trans proline' 0 N--CA 1.459 -0.517 0 C-N-CA 122.715 2.277 . . . . 73.52 111.945 177.521 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 64.42 14.57 57.51 Favored Glycine 0 CA--C 1.524 0.63 0 CA-C-N 115.332 -0.849 . . . . 54.45 112.869 -178.654 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.637 HD23 ' HB2' ' A' ' 103' ' ' LEU . 40.5 tp -118.74 138.87 52.36 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-O 120.974 0.416 . . . . 65.03 110.67 -178.738 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -76.48 161.22 28.81 Favored 'General case' 0 CA--C 1.509 -0.628 0 CA-C-N 115.765 -0.652 . . . . 72.42 110.218 178.416 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.576 ' O ' ' HG3' ' A' ' 112' ' ' LYS . . . -68.13 -43.71 77.76 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 115.542 -0.753 . . . . 74.35 109.645 170.112 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -57.64 -51.01 71.25 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 115.801 -0.636 . . . . 64.13 110.844 -178.184 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 0.468 ' O ' HG22 ' A' ' 113' ' ' THR . . . -68.34 -43.18 78.09 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 115.936 -0.574 . . . . 73.25 110.004 179.143 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -55.26 -35.32 64.88 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 115.757 -0.656 . . . . 54.13 111.694 178.673 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . 0.576 ' HG3' ' O ' ' A' ' 108' ' ' ALA . 68.3 mttm -52.11 -45.62 64.96 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-O 120.534 0.207 . . . . 74.23 111.106 178.455 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . 0.468 HG22 ' O ' ' A' ' 110' ' ' ALA . 1.6 t -82.2 -37.89 25.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.45 -0.341 . . . . 74.22 110.558 -177.468 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.453 ' HG ' ' O ' ' A' ' 110' ' ' ALA . 44.7 mt -63.17 -50.07 71.82 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-O 120.942 0.401 . . . . 61.01 110.584 -177.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 97.6 t -65.07 -33.08 61.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.918 -0.583 . . . . 72.22 110.086 178.562 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -60.87 -61.01 2.9 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-O 120.926 0.393 . . . . 63.5 110.909 179.537 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . 0.453 ' HG2' ' O ' ' A' ' 113' ' ' THR . 13.7 ptm180 -62.09 -40.96 97.6 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.54 -0.754 . . . . 65.24 110.739 -178.14 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -59.89 -44.48 94.2 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.239 0.542 . . . . 63.41 110.061 176.372 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . 0.628 ' CE1' HG23 ' A' ' 128' ' ' THR . 43.5 t-80 -79.76 10.01 4.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.496 -0.775 . . . . 74.13 110.522 -179.612 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 6.2 t60 -108.7 -42.79 4.42 Favored 'General case' 0 C--N 1.333 -0.137 0 N-CA-C 109.806 -0.442 . . . . 75.14 109.806 173.584 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 34.3 m -82.79 -33.9 11.11 Favored 'Isoleucine or valine' 0 C--O 1.234 0.251 0 CA-C-N 115.997 -0.547 . . . . 74.54 112.069 -175.134 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' CYS . . . . . 0.55 ' O ' ' HB2' ' A' ' 125' ' ' SER . 74.7 m -68.3 149.51 98.05 Favored Pre-proline 0 CA--C 1.532 0.267 0 CA-C-N 116.869 -0.15 . . . . 72.12 110.601 179.301 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -65.73 171.26 9.96 Favored 'Trans proline' 0 C--N 1.352 0.729 0 C-N-CA 122.582 2.188 . . . . 74.45 112.525 -178.696 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 68.04 4.75 4.22 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 123.382 0.673 . . . . 65.44 109.835 -176.092 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . 0.627 ' O ' ' HG2' ' A' ' 129' ' ' ARG . 41.3 t -58.63 -53.48 57.91 Favored 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 123.731 0.812 . . . . 62.44 112.571 -169.683 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 29.9 p-10 -69.52 -35.9 75.91 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.208 0.527 . . . . 73.42 110.105 -170.145 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -83.25 5.33 23.38 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.459 -0.791 . . . . 54.1 111.292 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 128' ' ' THR . . . . . 0.628 HG23 ' CE1' ' A' ' 119' ' ' HIS . 1.7 t -129.23 11.41 5.92 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.071 0.462 . . . . 73.21 110.752 -175.317 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . 0.627 ' HG2' ' O ' ' A' ' 125' ' ' SER . 15.1 ptm180 -153.06 -43.73 0.1 Allowed 'General case' 0 N--CA 1.446 -0.639 0 CA-C-O 120.897 0.379 . . . . 72.04 111.292 170.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 14.7 m120 -78.66 -50.35 11.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.291 -0.413 . . . . 71.52 111.056 -175.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -89.52 -27.38 20.33 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.126 -0.488 . . . . 72.12 111.831 -173.248 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 59.3 t -123.52 145.73 30.05 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.248 0 CA-C-O 120.666 0.269 . . . . 70.22 110.601 -173.714 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -75.57 92.03 2.88 Favored 'General case' 0 C--O 1.238 0.494 0 CA-C-O 121.631 0.729 . . . . 45.42 111.396 -176.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . 0.55 HG22 ' HB ' ' A' ' 97' ' ' VAL . 61.3 t -119.75 109.61 26.71 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.57 0 CA-C-N 114.844 -1.071 . . . . 75.02 110.507 177.569 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 8.2 mmm-85 -80.8 114.06 19.43 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.631 -0.713 . . . . 72.41 109.365 178.141 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.519 HD11 ' ND1' ' A' ' 119' ' ' HIS . 16.6 mt -84.47 101.88 12.38 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.19 0.519 . . . . 50.04 110.6 179.686 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . 0.585 ' O ' ' HA ' ' A' ' 100' ' ' ARG . 0.2 OUTLIER -105.43 112.45 38.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 115.494 -0.775 . . . . 74.42 109.614 178.247 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 4.1 m -91.26 139.05 18.37 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-N 115.523 -0.762 . . . . 53.11 109.958 -177.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.312 -1.042 0 CA-C-N 115.677 -0.692 . . . . 73.13 110.861 -176.012 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . 0.511 ' HE3' HD13 ' B' ' 3' ' ' ILE . 19.8 ptt? . . . . . 0 C--O 1.236 0.345 0 CA-C-O 121.116 0.484 . . . . 72.42 110.899 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 55.2 t30 -78.34 70.35 4.68 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.791 -0.64 . . . . 61.35 110.501 178.138 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . 0.577 HG21 ' HB2' ' B' ' 6' ' ' LYS . 28.6 mm -62.84 137.84 23.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 115.691 -0.686 . . . . 72.42 111.226 176.205 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.734 ' HG ' ' HD3' ' A' ' 87' ' ' PRO . 94.4 mt -90.46 -47.15 7.89 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.797 -0.638 . . . . 75.25 109.871 174.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 5' ' ' TYR . . . . . . . . . . . . . 39.5 t80 -136.78 128.12 28.25 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 116.033 -0.531 . . . . 75.45 110.158 -179.005 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . 0.577 ' HB2' HG21 ' B' ' 3' ' ' ILE . 31.8 ttmt -133.24 128.91 36.9 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.202 0.525 . . . . 65.01 110.711 178.042 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 8.5 t -119.95 138.14 53.64 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.619 -0.719 . . . . 72.52 109.543 -179.597 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . 0.475 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . . . -114.82 136.05 53.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.32 -0.4 . . . . 64.22 110.823 -177.094 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . 0.683 ' HA ' ' HA ' ' B' ' 21' ' ' SER . . . -127.03 120.89 30.1 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.089 0.471 . . . . 31.45 110.861 179.583 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 60.9 m -96.85 114.02 25.61 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.565 -0.743 . . . . 64.31 110.037 -179.617 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 11' ' ' SER . . . . . 0.422 ' HA ' ' O ' ' B' ' 18' ' ' ARG . 11.8 p -106.12 113.48 27.04 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.845 -0.616 . . . . 74.14 110.477 178.415 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 3.2 m -93.11 156.24 16.98 Favored 'General case' 0 C--O 1.241 0.637 0 CA-C-N 115.92 -0.582 . . . . 53.42 110.875 -179.134 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -78.06 74.39 2.03 Favored Glycine 0 N--CA 1.446 -0.689 0 CA-C-N 115.909 -0.587 . . . . 71.12 111.94 175.483 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -67.78 -138.89 0.06 OUTLIER Glycine 0 CA--C 1.521 0.426 0 C-N-CA 121.347 -0.454 . . . . 73.4 112.098 175.629 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 18.0 mmm180 -65.43 -50.6 64.81 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 117.225 0.512 . . . . 65.14 110.623 176.707 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 16' ' ' ASP . . . . . 0.513 ' HB3' ' HA ' ' B' ' 31' ' ' SER . 10.4 t70 -125.72 -43.12 1.88 Allowed 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.129 -0.693 . . . . 65.33 109.129 172.056 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 17' ' ' GLY . . . . . 0.405 ' HA3' ' CD2' ' B' ' 30' ' ' LEU . . . -164.89 151.85 21.09 Favored Glycine 0 C--N 1.342 0.9 0 C-N-CA 120.204 -0.998 . . . . 74.22 111.768 163.534 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 18' ' ' ARG . . . . . 0.422 ' O ' ' HA ' ' B' ' 11' ' ' SER . 26.1 tpt85 -132.02 100.99 5.24 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.769 -0.456 . . . . 74.4 109.769 -179.528 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 19' ' ' ALA . . . . . 0.553 ' HB1' ' HB1' ' A' ' 52' ' ' ALA . . . -99.5 124.03 44.3 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 120.558 0.218 . . . . 64.21 110.444 -174.24 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 30.2 m -138.46 112.31 8.4 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 110.483 -0.191 . . . . 75.11 110.483 -177.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 21' ' ' SER . . . . . 0.683 ' HA ' ' HA ' ' B' ' 9' ' ' ALA . 13.1 t -65.21 107.21 1.51 Allowed 'General case' 0 C--O 1.245 0.851 0 N-CA-C 106.697 -1.594 . . . . 74.21 106.697 179.096 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 22' ' ' HIS . . . . . 0.479 ' H ' ' HA ' ' B' ' 9' ' ' ALA . 39.8 t-80 -55.0 -26.3 36.03 Favored 'General case' 0 C--N 1.348 0.501 0 O-C-N 126.462 2.351 . . . . 73.12 112.644 -165.195 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -80.48 17.27 1.12 Allowed 'General case' 0 C--N 1.317 -0.815 0 CA-C-O 121.292 0.568 . . . . 63.54 109.907 178.66 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 28.1 mm-40 68.38 29.78 5.68 Favored 'General case' 0 CA--C 1.518 -0.276 0 CA-C-N 114.783 -1.099 . . . . 71.43 110.565 173.392 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 8.2 mtmp? -103.23 -11.0 18.3 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 115.665 -0.698 . . . . 41.25 112.157 176.439 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . 0.625 ' HB3' ' HB2' ' B' ' 21' ' ' SER . 50.1 tp -150.16 148.56 29.1 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 119.582 -0.847 . . . . 71.52 110.95 173.142 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -158.34 91.0 1.06 Allowed 'General case' 0 CA--C 1.536 0.415 0 O-C-N 123.497 0.498 . . . . 53.33 110.403 178.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 4.9 m -143.28 177.91 2.27 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.441 0 CA-C-O 121.686 0.755 . . . . 74.12 112.175 178.712 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -126.48 146.48 50.09 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 114.752 -1.113 . . . . 64.31 109.728 179.333 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . 0.892 ' HA ' ' H ' ' B' ' 44' ' ' THR . 0.0 OUTLIER -129.05 166.07 19.94 Favored 'General case' 0 C--O 1.253 1.251 0 CA-C-O 120.65 0.262 . . . . 72.32 110.446 176.257 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 31' ' ' SER . . . . . 0.513 ' HA ' ' HB3' ' B' ' 16' ' ' ASP . 29.9 m -155.05 135.56 13.39 Favored 'General case' 0 N--CA 1.455 -0.195 0 CA-C-N 115.562 -0.744 . . . . 62.35 111.115 -174.337 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -74.72 130.38 81.58 Favored Pre-proline 0 C--O 1.239 0.526 0 CA-C-N 116.288 -0.414 . . . . 75.13 110.463 175.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 33' ' ' PRO . . . . . 0.596 ' HG2' HD23 ' B' ' 36' ' ' LEU . 9.9 Cg_endo -51.33 122.26 9.82 Favored 'Trans proline' 0 C--N 1.351 0.664 0 C-N-CA 122.671 2.247 . . . . 71.3 111.532 179.36 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 34' ' ' ARG . . . . . 0.512 ' HB2' ' HA2' ' B' ' 40' ' ' GLY . 0.6 OUTLIER -51.04 -37.21 44.02 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 115.409 -0.814 . . . . 71.43 110.934 -174.393 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -50.6 -38.18 44.23 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 115.932 -0.576 . . . . 72.42 112.509 -172.013 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.596 HD23 ' HG2' ' B' ' 33' ' ' PRO . 1.7 mm? -88.58 -26.53 21.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.779 0.323 . . . . 63.52 110.573 -174.38 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 135.67 44.67 0.1 OUTLIER Glycine 0 C--N 1.331 0.251 0 C-N-CA 121.13 -0.557 . . . . 51.22 112.592 179.154 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -100.37 -137.25 9.71 Favored Glycine 0 N--CA 1.445 -0.747 0 N-CA-C 111.294 -0.723 . . . . 64.12 111.294 178.457 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -116.48 -8.19 11.59 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 120.805 0.336 . . . . 71.25 111.576 -177.177 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 40' ' ' GLY . . . . . 0.512 ' HA2' ' HB2' ' B' ' 34' ' ' ARG . . . 64.5 24.65 69.53 Favored Glycine 0 C--N 1.333 0.395 0 C-N-CA 121.108 -0.568 . . . . 53.13 112.762 -176.392 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -78.56 161.63 26.87 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.747 0.308 . . . . 45.11 110.873 -177.522 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -87.91 37.21 0.79 Allowed 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 116.246 -0.434 . . . . 74.14 112.061 -173.199 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -97.7 -162.23 31.22 Favored Glycine 0 CA--C 1.521 0.416 0 C-N-CA 121.195 -0.526 . . . . 72.12 112.527 178.77 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 44' ' ' THR . . . . . 0.892 ' H ' ' HA ' ' B' ' 30' ' ' LEU . 62.0 m -98.5 133.03 43.44 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 110.276 -0.268 . . . . 35.03 110.276 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 45' ' ' ASN . . . . . 0.579 ' HB2' ' HB3' ' B' ' 48' ' ' GLN . 2.4 m-20 -61.62 141.51 94.81 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 116.92 -0.127 . . . . 71.14 111.105 -179.221 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 46' ' ' PRO . . . . . 0.441 ' HB3' ' SG ' ' A' ' 57' ' ' CYS . 26.4 Cg_exo -63.58 -55.32 0.72 Allowed 'Trans proline' 0 C--N 1.35 0.641 0 C-N-CA 123.225 2.617 . . . . 54.41 112.913 -178.318 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 47' ' ' GLU . . . . . 0.465 ' OE1' ' HB3' ' B' ' 45' ' ' ASN . 1.4 pm0 -65.2 -35.51 81.28 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-O 121.158 0.504 . . . . 73.03 110.092 -178.606 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . 0.579 ' HB3' ' HB2' ' B' ' 45' ' ' ASN . 24.6 tt0 -60.7 -40.33 91.86 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.57 -0.741 . . . . 65.22 110.128 173.892 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 49' ' ' LEU . . . . . 0.506 HD12 ' HA3' ' A' ' 53' ' ' GLY . 3.4 tm? -64.82 -50.97 64.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.196 -0.911 . . . . 73.15 110.238 -178.595 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 35.5 t80 -59.47 -49.79 76.42 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.398 -0.364 . . . . 74.53 110.585 178.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -53.16 -50.39 64.69 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.294 -0.412 . . . . 63.22 111.205 178.613 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.34 -49.04 79.34 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-N 116.069 -0.514 . . . . 74.31 111.136 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . 0.565 ' HA3' HD12 ' A' ' 49' ' ' LEU . . . -64.82 -36.52 93.2 Favored Glycine 0 N--CA 1.451 -0.339 0 CA-C-N 115.843 -0.617 . . . . 73.22 112.168 -179.053 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -70.83 -35.9 72.67 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.717 -0.475 . . . . 73.14 109.717 179.671 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 10.3 t -63.81 -50.92 67.04 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 116.059 -0.519 . . . . 71.55 109.65 178.106 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.92 -41.12 95.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.671 -0.695 . . . . 72.32 110.763 179.245 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 57' ' ' CYS . . . . . . . . . . . . . 51.9 t -63.43 -38.02 89.52 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.892 -0.594 . . . . 72.4 109.98 178.426 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 27.2 t80 -67.0 -35.37 79.8 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.01 -0.541 . . . . 52.32 109.615 -178.069 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . 0.415 ' O ' ' HG3' ' B' ' 63' ' ' LYS . 60.5 tp -64.24 -54.18 37.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.608 -0.724 . . . . 64.41 110.531 178.139 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 60' ' ' SER . . . . . 0.659 ' HA ' ' HD3' ' B' ' 63' ' ' LYS . 9.5 t -65.17 -41.71 94.41 Favored 'General case' 0 C--O 1.238 0.457 0 CA-C-O 121.122 0.487 . . . . 73.23 110.394 -178.226 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 61' ' ' ALA . . . . . 0.446 ' O ' HG23 ' B' ' 65' ' ' VAL . . . -59.63 -45.13 92.87 Favored 'General case' 0 C--N 1.334 -0.104 0 CA-C-N 115.968 -0.56 . . . . 44.1 110.225 177.305 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 62' ' ' MET . . . . . 0.448 ' HG3' ' CD2' ' B' ' 73' ' ' LEU . 5.3 tpt -56.63 -39.09 73.04 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 115.849 -0.614 . . . . 71.0 110.212 177.239 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . 0.659 ' HD3' ' HA ' ' B' ' 60' ' ' SER . 56.1 mtpt -62.41 -51.98 65.37 Favored 'General case' 0 CA--C 1.53 0.178 0 CA-C-N 115.828 -0.623 . . . . 72.03 110.67 178.049 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 47.2 t80 -63.17 -37.29 86.64 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 121.017 0.436 . . . . 73.11 110.646 179.634 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 65' ' ' VAL . . . . . 0.446 HG23 ' O ' ' B' ' 61' ' ' ALA . 38.4 t -59.05 -43.08 88.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.048 -0.524 . . . . 75.05 110.152 176.596 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -58.84 -31.54 68.6 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.073 -0.512 . . . . 74.13 110.515 177.406 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -71.16 -29.86 68.19 Favored Glycine 0 C--N 1.329 0.192 0 CA-C-N 115.495 -0.775 . . . . 75.04 112.222 -177.227 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -97.25 -14.5 21.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.223 0.535 . . . . 64.5 109.702 179.624 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 11.4 m-80 -95.62 -1.53 50.06 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.421 -0.809 . . . . 65.21 110.813 176.299 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 61.24 29.59 18.78 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 115.95 -0.568 . . . . 73.12 111.422 174.362 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -118.65 166.21 13.02 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.574 -0.739 . . . . 74.24 110.397 179.62 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 15.4 p -126.83 125.82 42.31 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.053 -0.521 . . . . 74.12 111.176 -176.813 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 73' ' ' LEU . . . . . 0.448 ' CD2' ' HG3' ' B' ' 62' ' ' MET . 0.2 OUTLIER -109.82 140.92 22.71 Favored Pre-proline 0 C--N 1.326 -0.44 0 CA-C-N 115.985 -0.552 . . . . 75.15 111.27 179.457 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 74' ' ' PRO . . . . . 0.619 ' HD2' HD11 ' B' ' 103' ' ' LEU . 32.5 Cg_exo -60.73 120.74 8.64 Favored 'Trans proline' 0 C--N 1.349 0.584 0 C-N-CA 122.764 2.309 . . . . 62.01 111.399 172.387 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -77.01 -4.4 43.93 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.016 0.376 . . . . 71.53 112.016 -176.237 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -80.99 1.96 28.97 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-O 121.351 0.596 . . . . 60.22 110.932 -179.515 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 77' ' ' THR . . . . . 0.512 ' HB ' HD22 ' B' ' 103' ' ' LEU . 3.2 t -69.61 167.63 16.49 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.597 -0.729 . . . . 73.25 112.439 -176.148 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 78' ' ' THR . . . . . 0.597 HG22 ' HA ' ' A' ' 12' ' ' THR . 1.2 p -138.34 149.51 45.68 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.133 -0.94 . . . . 71.23 110.064 176.22 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 91.5 t -129.27 120.13 50.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 N-CA-C 109.409 -0.589 . . . . 54.24 109.409 175.129 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 80' ' ' THR . . . . . 0.548 ' HA ' ' HA ' ' A' ' 10' ' ' THR . 8.0 m -111.11 110.79 21.47 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 116.288 -0.414 . . . . 72.42 110.756 -177.443 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -92.92 106.81 18.72 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.093 -0.503 . . . . 73.43 109.679 177.775 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 82' ' ' GLU . . . . . 0.41 ' HA ' ' HA ' ' A' ' 8' ' ' ALA . 31.8 tt0 -98.59 107.72 20.24 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 108.817 -0.808 . . . . 71.23 108.817 178.381 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 7.4 p -103.86 134.61 44.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.044 -0.526 . . . . 71.44 111.196 -173.043 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 84' ' ' GLY . . . . . . . . . . . . . . . -127.28 167.2 19.76 Favored Glycine 0 N--CA 1.443 -0.881 0 CA-C-N 115.724 -0.671 . . . . 52.45 111.661 175.608 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -146.7 135.4 16.0 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.816 0 N-CA-C 109.272 -0.64 . . . . 73.1 109.272 178.394 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -155.25 169.65 33.25 Favored Glycine 0 N--CA 1.452 -0.26 0 N-CA-C 111.081 -0.808 . . . . 52.3 111.081 -178.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 87' ' ' PRO . . . . . 0.656 ' HD3' ' HG ' ' A' ' 4' ' ' LEU . 94.3 Cg_endo -82.44 142.09 11.61 Favored 'Trans proline' 0 N--CA 1.455 -0.786 0 C-N-CA 122.326 2.017 . . . . 61.3 112.786 -176.513 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 88' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -84.67 155.33 22.0 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.686 -0.857 . . . . 72.3 108.686 173.056 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -63.96 -11.48 28.99 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 120.689 0.28 . . . . 65.22 111.724 -176.572 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -71.01 -27.34 63.61 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-O 121.178 0.513 . . . . 74.05 110.484 175.546 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.19 34.16 3.76 Favored Glycine 0 N--CA 1.455 -0.099 0 CA-C-N 115.587 -0.733 . . . . 72.2 111.79 -175.367 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 92' ' ' GLY . . . . . 0.46 ' O ' ' HA ' ' B' ' 87' ' ' PRO . . . -134.3 -169.52 12.03 Favored Glycine 0 C--O 1.229 -0.213 0 N-CA-C 110.694 -0.962 . . . . 70.13 110.694 177.512 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 93' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -98.48 153.16 18.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 117.576 0.688 . . . . 73.12 111.124 179.446 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -143.19 139.82 30.48 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.533 -0.758 . . . . 62.21 109.314 178.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -103.45 145.42 30.03 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-O 121.147 0.499 . . . . 74.21 111.429 -175.32 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 96' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -126.86 133.68 50.67 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 114.97 -1.014 . . . . 73.53 109.241 -179.49 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 97' ' ' VAL . . . . . 0.532 ' HB ' HG22 ' B' ' 134' ' ' VAL . 61.3 t -137.74 110.95 7.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.81 0.338 . . . . 65.34 110.277 178.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 98' ' ' GLU . . . . . 0.456 ' HG2' ' HB2' ' B' ' 135' ' ' ARG . 40.6 mt-10 -98.62 111.75 24.02 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.709 -0.478 . . . . 74.42 109.709 176.559 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 88.3 mt -93.67 106.99 18.92 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 116.353 -0.385 . . . . 61.12 109.974 -178.174 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 100' ' ' ARG . . . . . 0.611 ' HA ' ' O ' ' B' ' 137' ' ' VAL . 77.8 ttt180 -99.53 106.89 18.94 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.537 -0.756 . . . . 64.11 110.475 -174.417 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 101' ' ' VAL . . . . . . . . . . . . . 84.9 t -97.49 99.44 8.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 116.434 -0.348 . . . . 60.12 110.54 -175.177 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 102' ' ' ALA . . . . . 0.513 ' HA ' ' HB3' ' B' ' 139' ' ' ALA . . . -91.95 101.21 13.77 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.357 -0.609 . . . . 53.32 109.357 178.442 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 103' ' ' LEU . . . . . 0.619 HD11 ' HD2' ' B' ' 74' ' ' PRO . 0.3 OUTLIER -112.68 118.59 44.79 Favored Pre-proline 0 C--N 1.326 -0.428 0 CA-C-N 115.521 -0.763 . . . . 72.24 109.423 -174.745 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 104' ' ' PRO . . . . . 0.474 ' HD2' HD13 ' B' ' 103' ' ' LEU . 65.2 Cg_endo -72.7 150.06 49.76 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.456 2.104 . . . . 74.24 112.524 179.183 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 105' ' ' GLY . . . . . . . . . . . . . . . 64.72 15.21 59.51 Favored Glycine 0 CA--C 1.521 0.412 0 CA-C-N 115.548 -0.751 . . . . 72.34 113.224 179.432 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 106' ' ' LEU . . . . . 0.444 HD23 ' HB3' ' B' ' 103' ' ' LEU . 31.9 tp -124.77 137.0 54.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.112 0.482 . . . . 60.53 110.952 -178.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -80.58 145.9 31.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.303 -0.862 . . . . 63.12 110.454 176.718 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 108' ' ' ALA . . . . . 0.467 ' O ' ' HG3' ' B' ' 112' ' ' LYS . . . -61.71 -37.4 84.02 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.515 -0.311 . . . . 34.32 111.058 -179.552 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -56.28 -46.21 79.82 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-N 116.14 -0.482 . . . . 64.51 110.937 -179.408 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 110' ' ' ALA . . . . . 0.57 ' O ' HG22 ' B' ' 113' ' ' THR . . . -77.75 -38.67 46.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.801 -0.636 . . . . 72.03 110.32 178.66 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 111' ' ' ALA . . . . . 0.421 ' HA ' HD21 ' B' ' 106' ' ' LEU . . . -54.76 -39.03 67.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.815 -0.63 . . . . 64.14 111.1 -178.64 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 112' ' ' LYS . . . . . 0.467 ' HG3' ' O ' ' B' ' 108' ' ' ALA . 98.6 mttt -58.08 -44.3 87.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.107 -0.497 . . . . 74.45 110.978 178.66 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 113' ' ' THR . . . . . 0.57 HG22 ' O ' ' B' ' 110' ' ' ALA . 1.1 t -73.03 -34.62 66.45 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 121.018 -0.273 . . . . 72.03 110.308 -177.846 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 114' ' ' LEU . . . . . 0.441 ' HG ' ' O ' ' B' ' 110' ' ' ALA . 52.9 mt -65.27 -49.9 67.79 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 116.388 -0.369 . . . . 70.23 110.419 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 115' ' ' VAL . . . . . . . . . . . . . 90.8 t -64.33 -37.39 79.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.043 -0.526 . . . . 63.55 110.327 178.437 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -58.77 -56.38 23.01 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 116.153 -0.476 . . . . 75.43 110.658 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 117' ' ' ARG . . . . . 0.42 HH11 ' HD3' ' B' ' 117' ' ' ARG . 1.9 ptm180 -65.71 -42.57 90.98 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-N 116.189 -0.459 . . . . 70.2 110.935 -177.184 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -59.99 -47.59 85.21 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 121.243 0.544 . . . . 61.11 110.854 -179.591 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 19.9 t60 -73.1 -10.91 60.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.514 -0.766 . . . . 74.31 110.784 -178.084 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 58.1 t-80 -96.71 -45.86 6.51 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.351 -0.386 . . . . 61.52 111.198 -178.389 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 35.4 m -69.79 -35.49 65.46 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.24 0 CA-C-N 116.085 -0.507 . . . . 63.42 111.603 -174.783 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 122' ' ' CYS . . . . . . . . . . . . . 52.9 t -153.8 79.62 5.22 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 120.879 0.371 . . . . 74.53 111.522 -179.155 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 123' ' ' PRO . . . . . . . . . . . . . 96.5 Cg_endo -88.33 163.36 6.87 Favored 'Trans proline' 0 N--CA 1.456 -0.695 0 C-N-CA 122.703 2.269 . . . . 65.25 110.908 171.15 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 124' ' ' TYR . . . . . 0.408 ' O ' ' HB ' ' B' ' 128' ' ' THR . 2.1 t80 . . . . . 0 C--N 1.331 -0.219 0 N-CA-C 108.313 -0.995 . . . . 65.35 108.313 174.636 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 128' ' ' THR . . . . . 0.408 ' HB ' ' O ' ' B' ' 124' ' ' TYR . 5.9 t . . . . . 0 CA--C 1.516 -0.362 0 N-CA-C 108.497 -0.927 . . . . 55.14 108.497 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 129' ' ' ARG . . . . . . . . . . . . . 17.0 ptt180 -122.3 -41.83 2.39 Favored 'General case' 0 N--CA 1.445 -0.704 0 CA-C-N 114.893 -1.049 . . . . 75.21 111.117 -176.471 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 130' ' ' ASN . . . . . . . . . . . . . 13.6 m120 -73.45 -47.13 44.04 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 116.402 -0.363 . . . . 74.14 111.339 176.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 131' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -78.15 -43.93 27.4 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 121.085 0.469 . . . . 75.43 110.531 -177.236 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 132' ' ' VAL . . . . . . . . . . . . . 24.7 t -95.09 136.33 26.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.563 -0.744 . . . . 52.13 110.331 -178.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 133' ' ' ALA . . . . . . . . . . . . . . . -77.53 90.07 3.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.358 0.599 . . . . 72.23 110.792 -179.2 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 134' ' ' VAL . . . . . 0.532 HG22 ' HB ' ' B' ' 97' ' ' VAL . 87.7 t -105.16 129.7 57.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.284 -0.871 . . . . 61.1 110.788 -178.248 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 135' ' ' ARG . . . . . 0.456 ' HB2' ' HG2' ' B' ' 98' ' ' GLU . 19.4 mmt-85 -102.98 121.3 42.25 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 108.863 -0.791 . . . . 74.32 108.863 174.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 71.4 mt -88.87 109.34 20.12 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.196 0.522 . . . . 72.41 109.915 177.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 137' ' ' VAL . . . . . 0.611 ' O ' ' HA ' ' B' ' 100' ' ' ARG . 0.2 OUTLIER -117.08 115.99 50.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.332 -0.849 . . . . 72.22 110.07 -178.058 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 138' ' ' VAL . . . . . 0.427 HG11 ' HA ' ' B' ' 112' ' ' LYS . 4.6 m -94.94 138.35 21.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 116.027 -0.533 . . . . 70.52 109.995 179.501 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 139' ' ' ALA . . . . . 0.513 ' HB3' ' HA ' ' B' ' 102' ' ' ALA . . . . . . . . 0 C--N 1.313 -0.992 0 CA-C-N 115.288 -0.869 . . . . 71.35 110.28 -174.032 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.466 ' HE3' HD13 ' A' ' 3' ' ' ILE . 15.7 ptt? . . . . . 0 N--CA 1.486 1.36 0 CA-C-O 120.593 0.235 . . . . 71.43 110.841 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 48.9 t30 -72.21 78.63 0.97 Allowed 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 121.287 0.565 . . . . 75.52 110.813 176.33 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.644 HD11 ' HB3' ' B' ' 96' ' ' ASP . 34.7 mm -72.92 135.1 28.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.769 -0.65 . . . . 51.02 112.078 176.138 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.662 ' HG ' ' HD3' ' B' ' 87' ' ' PRO . 86.5 mt -88.6 -42.93 11.73 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.497 -0.774 . . . . 74.21 110.022 173.162 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . 0.508 ' CD2' ' HB3' ' B' ' 35' ' ' GLU . 61.4 t80 -143.4 136.54 27.91 Favored 'General case' 0 C--O 1.222 -0.383 0 CA-C-N 116.443 -0.344 . . . . 54.43 110.486 178.721 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.559 ' HD3' ' HG2' ' B' ' 82' ' ' GLU . 29.7 ttmt -141.43 137.98 32.6 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.322 -0.399 . . . . 62.42 110.353 178.393 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 9.6 t -135.46 147.44 48.91 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.465 -0.789 . . . . 73.02 109.147 -178.32 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.425 ' HA ' ' HA ' ' B' ' 82' ' ' GLU . . . -111.74 156.4 21.97 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 121.616 0.722 . . . . 64.34 112.466 -171.208 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.826 ' HB2' HE21 ' B' ' 48' ' ' GLN . . . -146.34 125.26 12.74 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.163 -0.926 . . . . 65.14 109.763 174.872 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.404 ' HA ' ' HA ' ' B' ' 80' ' ' THR . 10.7 t -106.28 129.36 54.32 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.733 -0.469 . . . . 73.43 109.733 178.381 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 22.4 t -113.21 119.3 37.27 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.25 -0.432 . . . . 71.32 110.11 179.199 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.58 ' HA ' HG22 ' B' ' 78' ' ' THR . 4.4 m -98.13 156.37 16.7 Favored 'General case' 0 C--O 1.238 0.477 0 CA-C-N 116.248 -0.433 . . . . 72.12 110.545 179.636 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -90.37 77.28 1.56 Allowed Glycine 0 N--CA 1.448 -0.552 0 N-CA-C 111.493 -0.643 . . . . 62.44 111.493 175.659 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -62.72 -109.2 0.01 OUTLIER Glycine 0 C--N 1.333 0.391 0 C-N-CA 121.039 -0.6 . . . . 62.02 112.015 176.272 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 33.1 ttm180 -88.74 -49.53 6.79 Favored 'General case' 0 C--N 1.332 -0.154 0 O-C-N 122.383 -0.481 . . . . 73.04 109.933 173.261 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -125.67 -43.5 1.87 Allowed 'General case' 0 N--CA 1.467 0.379 0 N-CA-C 109.927 -0.397 . . . . 74.22 109.927 178.105 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.518 ' O ' ' HG3' ' A' ' 29' ' ' LYS . . . -169.84 157.88 29.7 Favored Glycine 0 C--N 1.341 0.842 0 C-N-CA 120.295 -0.955 . . . . 73.12 111.447 161.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.659 ' HA ' ' HA ' ' A' ' 29' ' ' LYS . 7.0 tmm_? -143.57 120.67 11.44 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 117.316 0.558 . . . . 73.24 109.981 177.72 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.509 ' HB2' ' HB2' ' B' ' 56' ' ' ALA . . . -107.94 136.02 48.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.356 -0.384 . . . . 71.12 110.616 -177.179 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 30.0 m -140.66 113.68 8.39 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.318 -0.401 . . . . 63.53 110.708 -179.679 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.528 ' HB3' ' N ' ' A' ' 26' ' ' LEU . 44.2 t -70.2 109.9 4.9 Favored 'General case' 0 C--O 1.246 0.904 0 N-CA-C 107.965 -1.124 . . . . 62.3 107.965 175.153 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.445 ' C ' ' H ' ' A' ' 24' ' ' GLN . 40.9 t-80 -57.01 -23.76 48.6 Favored 'General case' 0 N--CA 1.471 0.621 0 O-C-N 126.121 2.138 . . . . 71.44 112.679 -166.873 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.461 ' CB ' ' HE3' ' A' ' 25' ' ' LYS . 3.2 m-20 -80.0 16.49 1.19 Allowed 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.353 0.597 . . . . 73.43 109.698 178.789 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.445 ' H ' ' C ' ' A' ' 22' ' ' HIS . 27.1 mm-40 68.69 18.53 8.73 Favored 'General case' 0 CA--C 1.517 -0.295 0 CA-C-N 114.555 -1.202 . . . . 72.53 109.41 177.466 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.487 ' HB2' ' OG ' ' A' ' 21' ' ' SER . 97.6 mttt -76.47 -29.87 57.08 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-N 114.713 -1.131 . . . . 73.44 110.411 179.561 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.528 ' N ' ' HB3' ' A' ' 21' ' ' SER . 47.8 tp -153.43 148.89 27.18 Favored 'General case' 0 CA--C 1.51 -0.586 0 C-N-CA 119.699 -0.8 . . . . 74.42 112.151 -176.523 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -158.16 90.86 1.07 Allowed 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 114.94 -1.027 . . . . 74.13 110.29 -179.006 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.495 ' O ' ' HG2' ' A' ' 18' ' ' ARG . 6.6 m -145.21 176.92 1.85 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.569 0 CA-C-O 121.366 0.603 . . . . 62.12 111.692 179.687 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.659 ' HA ' ' HA ' ' A' ' 18' ' ' ARG . 30.6 tttm -124.89 143.87 50.62 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.218 -0.901 . . . . 62.42 110.381 -177.61 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.617 ' HA ' ' H ' ' A' ' 44' ' ' THR . 0.0 OUTLIER -125.37 167.08 15.44 Favored 'General case' 0 C--O 1.259 1.596 0 CA-C-O 121.178 0.513 . . . . 64.12 111.039 176.421 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.5 m -148.11 147.71 29.81 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 114.706 -1.133 . . . . 75.34 110.422 -173.605 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -78.08 137.02 61.25 Favored Pre-proline 0 C--O 1.241 0.644 0 CA-C-N 116.537 -0.302 . . . . 52.21 110.692 176.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 28.2 Cg_endo -61.97 115.66 2.97 Favored 'Trans proline' 0 C--N 1.35 0.637 0 C-N-CA 122.769 2.313 . . . . 73.33 112.021 -177.069 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.617 ' HB2' ' N ' ' A' ' 40' ' ' GLY . 68.5 ttt-85 -81.97 55.17 2.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.371 0.605 . . . . 50.12 111.089 -176.709 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 71.3 mm-40 -117.62 -22.03 8.27 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.617 -0.72 . . . . 75.14 109.573 173.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 52.6 mt -122.33 11.47 10.04 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 115.512 -0.767 . . . . 63.44 110.479 -175.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 106.67 65.74 0.63 Allowed Glycine 0 C--N 1.331 0.3 0 CA-C-N 116.0 -0.545 . . . . 72.22 112.217 -178.236 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -132.73 -137.94 4.01 Favored Glycine 0 C--N 1.335 0.511 0 N-CA-C 111.491 -0.643 . . . . 73.44 111.491 179.037 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -123.73 -27.22 4.01 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 111.514 0.191 . . . . 63.22 111.514 -177.169 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.617 ' N ' ' HB2' ' A' ' 34' ' ' ARG . . . 48.31 40.21 22.21 Favored Glycine 0 C--N 1.336 0.578 0 C-N-CA 121.519 -0.372 . . . . 45.53 112.85 -177.795 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -82.48 175.28 10.34 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.531 0.205 . . . . 44.21 110.958 -178.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -65.12 82.77 0.04 OUTLIER 'General case' 0 CA--C 1.533 0.322 0 CA-C-O 121.798 0.809 . . . . 71.23 110.007 175.164 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -164.64 -174.66 34.63 Favored Glycine 0 N--CA 1.449 -0.463 0 CA-C-N 115.327 -0.851 . . . . 55.55 111.754 174.274 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.617 ' H ' ' HA ' ' A' ' 30' ' ' LEU . 20.9 p -104.16 154.54 19.63 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 110.192 -0.299 . . . . 74.01 110.192 -178.235 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.611 ' HB2' ' HB3' ' A' ' 48' ' ' GLN . 85.6 m-20 -74.94 123.68 89.09 Favored Pre-proline 0 C--N 1.327 -0.37 0 N-CA-C 109.035 -0.728 . . . . 72.33 109.035 176.839 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_exo -50.07 -45.92 30.69 Favored 'Trans proline' 0 C--N 1.349 0.592 0 C-N-CA 122.711 2.274 . . . . 63.04 112.336 -178.162 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 8.7 mp0 -64.05 -37.3 86.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.557 -0.747 . . . . 62.13 110.069 -179.629 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.611 ' HB3' ' HB2' ' A' ' 45' ' ' ASN . 7.0 tm0? -68.53 -33.42 74.08 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 115.66 -0.7 . . . . 72.35 110.305 176.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.498 HD12 ' HA3' ' B' ' 53' ' ' GLY . 1.7 tm? -66.28 -47.5 73.45 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.423 -0.584 . . . . 71.11 109.423 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 36.7 t80 -62.88 -46.63 86.93 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.334 -0.394 . . . . 64.45 110.673 176.699 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.6 -52.09 66.17 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 116.593 -0.276 . . . . 52.03 111.133 178.02 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.1 -46.17 90.23 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-O 120.952 0.406 . . . . 51.43 110.858 -179.062 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.55 ' HA3' HD12 ' B' ' 49' ' ' LEU . . . -62.41 -44.97 96.87 Favored Glycine 0 N--CA 1.449 -0.438 0 CA-C-N 115.698 -0.683 . . . . 45.35 112.202 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.891 ' HA ' ' SG ' ' A' ' 57' ' ' CYS . 5.9 t80 -69.82 -34.5 73.75 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.852 0.358 . . . . 71.4 110.351 -179.529 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.508 ' HB2' ' HB2' ' A' ' 81' ' ' ALA . 8.6 t -62.32 -50.57 71.11 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.507 -0.553 . . . . 50.31 109.507 178.176 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.568 ' HB2' ' HB2' ' B' ' 19' ' ' ALA . . . -70.38 -40.33 74.04 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.879 -0.601 . . . . 72.41 111.297 -178.462 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.891 ' SG ' ' HA ' ' A' ' 54' ' ' TYR . 15.7 p -64.03 -35.94 82.36 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.688 -0.486 . . . . 74.4 109.688 179.226 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 23.0 t80 -52.58 -34.88 52.64 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 116.223 -0.444 . . . . 64.12 110.413 178.37 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -64.63 -42.37 95.52 Favored 'General case' 0 N--CA 1.465 0.29 0 N-CA-C 109.82 -0.437 . . . . 74.12 109.82 174.745 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.448 ' O ' ' HB3' ' A' ' 63' ' ' LYS . 27.4 t -66.45 -35.43 80.27 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-O 121.223 0.535 . . . . 74.4 110.154 178.688 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.408 ' O ' HG23 ' A' ' 65' ' ' VAL . . . -67.5 -43.25 81.36 Favored 'General case' 0 C--O 1.221 -0.429 0 CA-C-N 115.953 -0.567 . . . . 64.15 109.941 177.748 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -65.22 -36.28 83.66 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.187 0.518 . . . . 61.32 109.993 175.133 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.448 ' HB3' ' O ' ' A' ' 60' ' ' SER . 11.8 tptm -56.22 -49.99 72.56 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.057 -0.974 . . . . 62.32 109.959 177.63 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.422 ' CZ ' ' HE1' ' B' ' 93' ' ' PHE . 63.4 t80 -75.81 -48.45 21.59 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 115.465 -0.789 . . . . 70.35 111.705 -178.542 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.436 ' HA ' ' HG2' ' A' ' 68' ' ' GLN . 42.9 t -55.32 -40.45 56.94 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.31 0 CA-C-N 116.429 -0.35 . . . . 51.41 110.89 -178.031 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.515 ' HB1' ' O ' ' A' ' 71' ' ' GLN . . . -54.45 -33.71 60.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.171 0.51 . . . . 55.45 110.333 176.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -71.95 -31.97 63.97 Favored Glycine 0 C--N 1.33 0.202 0 CA-C-N 115.552 -0.749 . . . . 65.01 112.528 -177.806 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.436 ' HG2' ' HA ' ' A' ' 65' ' ' VAL . 14.1 pt20 -92.81 -11.88 32.58 Favored 'General case' 0 CA--C 1.52 -0.187 0 N-CA-C 108.949 -0.76 . . . . 73.33 108.949 179.088 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.45 ' HB3' ' HG2' ' A' ' 71' ' ' GLN . 0.9 OUTLIER -94.67 -5.17 46.19 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 114.857 -1.065 . . . . 73.35 110.544 175.402 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 11.0 mptt 58.73 29.48 18.71 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-O 121.61 0.719 . . . . 70.5 111.189 178.042 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.515 ' O ' ' HB1' ' A' ' 66' ' ' ALA . 2.8 pt20 -124.37 159.08 31.15 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 114.76 -1.109 . . . . 65.11 109.501 175.857 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 4.5 p -125.35 128.14 47.71 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.935 0.398 . . . . 71.13 110.476 177.79 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -109.23 145.54 32.01 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 115.938 -0.574 . . . . 63.13 110.51 179.851 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.413 ' HB2' ' HG2' ' A' ' 104' ' ' PRO . 48.8 Cg_exo -57.28 130.49 39.63 Favored 'Trans proline' 0 C--N 1.35 0.607 0 C-N-CA 122.73 2.287 . . . . 75.32 112.487 -179.441 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -77.02 -1.29 28.08 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 121.368 0.604 . . . . 74.43 110.901 178.084 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -85.55 17.95 3.01 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.284 -0.871 . . . . 72.44 110.393 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.53 ' HB ' HD12 ' A' ' 103' ' ' LEU . 5.8 t -91.7 159.26 15.94 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.559 -0.746 . . . . 73.42 112.11 -174.41 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 56.4 m -143.1 149.39 38.07 Favored 'General case' 0 CA--C 1.529 0.164 0 CA-C-N 115.62 -0.718 . . . . 65.01 110.355 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 92.6 t -134.15 132.91 55.92 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 115.512 -0.767 . . . . 73.54 109.006 177.341 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 87.8 m -114.13 115.95 28.34 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.677 0.275 . . . . 61.0 110.491 178.8 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.508 ' HB2' ' HB2' ' A' ' 55' ' ' SER . . . -93.25 105.18 17.29 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.299 -0.63 . . . . 75.0 109.299 175.036 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.54 ' HA ' ' HA ' ' B' ' 8' ' ' ALA . 24.6 tt0 -101.83 107.44 18.62 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.521 -0.918 . . . . 74.0 108.521 176.731 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.558 HG23 HG22 ' A' ' 97' ' ' VAL . 7.5 p -103.6 131.25 52.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.873 -0.603 . . . . 74.25 111.048 -172.649 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -122.48 160.86 16.86 Favored Glycine 0 N--CA 1.446 -0.696 0 CA-C-N 115.78 -0.645 . . . . 64.22 111.813 178.466 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -137.88 130.2 40.49 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 N-CA-C 108.785 -0.82 . . . . 71.32 108.785 178.67 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . 0.442 ' HA2' ' HG ' ' B' ' 4' ' ' LEU . . . -146.49 169.93 27.63 Favored Glycine 0 CA--C 1.517 0.186 0 O-C-N 123.985 0.803 . . . . 64.2 111.496 -176.329 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.676 ' HD3' ' HG ' ' B' ' 4' ' ' LEU . 7.2 Cg_exo -70.95 119.9 6.65 Favored 'Trans proline' 0 N--CA 1.462 -0.338 0 C-N-CA 122.665 2.244 . . . . 75.13 111.659 -176.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 52.8 t-20 -72.98 142.67 47.76 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.235 -0.654 . . . . 63.43 109.235 177.519 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -66.02 -13.34 59.74 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-O 121.173 0.511 . . . . 74.31 110.837 -179.763 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -71.74 -20.1 61.94 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 115.504 -0.771 . . . . 62.35 110.451 173.484 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.47 23.51 7.93 Favored Glycine 0 CA--C 1.518 0.233 0 CA-C-N 115.757 -0.656 . . . . 52.42 112.65 179.697 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -131.92 -140.78 4.59 Favored Glycine 0 N--CA 1.453 -0.21 0 N-CA-C 111.611 -0.596 . . . . 74.12 111.611 177.448 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -116.55 146.96 42.26 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.797 0.332 . . . . 72.25 110.15 178.283 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -132.15 133.02 43.77 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.934 -0.576 . . . . 73.43 110.188 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -96.06 124.32 40.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.941 -0.572 . . . . 75.45 110.08 178.576 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.474 ' HB3' HD11 ' B' ' 3' ' ' ILE . 10.2 t70 -117.78 110.33 17.67 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 108.745 -0.835 . . . . 62.1 108.745 -179.509 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.558 HG22 HG23 ' A' ' 83' ' ' VAL . 46.6 t -108.39 110.92 33.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.695 0.283 . . . . 41.42 111.192 -172.482 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.45 ' HA ' ' HB2' ' A' ' 135' ' ' ARG . 42.3 mt-10 -88.07 104.33 16.57 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.753 -0.462 . . . . 51.52 109.753 175.562 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 11.6 tp -94.28 107.09 19.06 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.168 -0.678 . . . . 73.33 109.168 -178.791 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.527 ' HA ' ' O ' ' A' ' 137' ' ' VAL . 59.2 ttt180 -99.43 111.43 23.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.539 -0.755 . . . . 73.43 110.076 -172.236 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 46.7 t -106.13 115.46 47.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.423 0.154 . . . . 72.23 111.192 -171.325 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -112.08 101.46 9.73 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-O 120.823 0.344 . . . . 73.1 110.163 176.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.877 HD23 HD22 ' A' ' 106' ' ' LEU . 38.9 tp -111.09 115.01 53.27 Favored Pre-proline 0 CA--C 1.53 0.205 0 N-CA-C 108.688 -0.856 . . . . 73.31 108.688 178.515 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . 0.556 ' HD2' HD12 ' A' ' 103' ' ' LEU . 56.6 Cg_endo -70.41 148.63 61.27 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.598 2.199 . . . . 73.52 112.35 -174.63 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 73.08 15.21 78.62 Favored Glycine 0 N--CA 1.451 -0.307 0 CA-C-N 115.629 -0.714 . . . . 54.45 112.273 -178.301 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.877 HD22 HD23 ' A' ' 103' ' ' LEU . 24.7 tp -125.52 141.16 52.19 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-O 120.947 0.403 . . . . 65.03 111.156 -177.219 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -82.19 141.99 32.57 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.681 -0.69 . . . . 72.42 110.318 174.39 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.505 ' O ' ' HG2' ' A' ' 112' ' ' LYS . . . -59.29 -34.91 72.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.852 0.358 . . . . 74.35 110.785 177.837 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -58.01 -46.64 84.94 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 115.823 -0.626 . . . . 64.13 110.813 179.593 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 0.473 ' O ' HG22 ' A' ' 113' ' ' THR . . . -75.96 -35.86 59.51 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-O 121.25 0.548 . . . . 73.25 109.922 177.695 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -56.27 -32.81 64.88 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.518 -0.765 . . . . 54.13 110.679 178.762 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . 0.505 ' HG2' ' O ' ' A' ' 108' ' ' ALA . 32.0 mmtp -51.13 -48.96 61.65 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 115.803 -0.635 . . . . 74.23 110.796 176.624 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . 0.473 HG22 ' O ' ' A' ' 110' ' ' ALA . 1.9 t -81.99 -36.1 28.22 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.051 -0.522 . . . . 74.22 110.899 -175.273 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.415 ' HG ' ' O ' ' A' ' 110' ' ' ALA . 40.5 mt -61.53 -48.73 79.68 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 116.364 -0.38 . . . . 61.01 110.793 -179.454 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 67.6 t -67.16 -33.4 62.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.314 -0.403 . . . . 72.22 110.133 177.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -61.05 -58.03 10.1 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-N 115.873 -0.603 . . . . 63.5 110.901 178.174 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . 0.459 ' HG2' ' O ' ' A' ' 113' ' ' THR . 15.0 ptm180 -64.36 -39.09 93.18 Favored 'General case' 0 C--O 1.227 -0.1 0 CA-C-N 115.659 -0.701 . . . . 65.24 110.545 -177.45 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -58.34 -50.93 71.87 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.17 0.51 . . . . 63.41 110.315 176.776 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . 0.442 ' CD2' ' HB3' ' A' ' 129' ' ' ARG . 64.5 t60 -79.42 8.65 5.85 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 115.639 -0.71 . . . . 74.13 110.239 179.713 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 3.9 t-160 -108.71 -43.57 4.23 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 116.195 -0.457 . . . . 75.14 110.734 177.289 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 28.6 m -89.31 -21.03 6.94 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.391 0 CA-C-N 116.378 -0.374 . . . . 74.54 111.824 -173.62 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' CYS . . . . . 0.467 ' N ' ' HD3' ' A' ' 123' ' ' PRO . 52.6 t -138.45 60.45 20.92 Favored Pre-proline 0 C--O 1.236 0.353 0 CA-C-O 120.841 0.353 . . . . 72.12 110.636 178.873 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' PRO . . . . . 0.467 ' HD3' ' N ' ' A' ' 122' ' ' CYS . 50.5 Cg_endo -98.12 153.96 0.83 Allowed 'Trans proline' 0 N--CA 1.453 -0.871 0 C-N-CA 123.109 2.539 . . . . 74.45 112.553 178.603 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' TYR . . . . . 0.542 ' O ' ' HB ' ' A' ' 128' ' ' THR . 2.5 m-85 -73.8 73.09 1.57 Allowed 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 108.768 -0.826 . . . . 65.44 108.768 171.826 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . 0.478 ' HB3' ' O ' ' A' ' 124' ' ' TYR . 48.4 t 77.42 149.16 0.1 Allowed 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 115.074 -0.966 . . . . 62.44 110.127 -171.02 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' ASN . . . . . 0.403 ' O ' ' HG2' ' A' ' 129' ' ' ARG . 52.6 t-20 -61.94 -31.46 71.79 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 122.019 0.914 . . . . 73.42 108.675 176.248 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . 0.463 ' O ' HG23 ' A' ' 132' ' ' VAL . . . -66.24 3.26 0.93 Allowed 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 114.88 -1.054 . . . . 54.1 112.434 -179.196 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 128' ' ' THR . . . . . 0.542 ' HB ' ' O ' ' A' ' 124' ' ' TYR . 2.9 t -93.84 4.34 54.07 Favored 'General case' 0 CA--C 1.519 -0.217 0 CA-C-O 122.146 0.974 . . . . 73.21 108.743 -173.814 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . 0.442 ' HB3' ' CD2' ' A' ' 119' ' ' HIS . 13.6 ptm180 -136.73 -46.5 0.6 Allowed 'General case' 0 N--CA 1.444 -0.739 0 CA-C-N 114.594 -1.184 . . . . 72.04 110.45 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 53.3 m-80 -78.57 -42.53 28.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.497 -0.32 . . . . 71.52 111.766 178.802 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -91.46 -39.02 12.2 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-O 120.899 0.381 . . . . 72.12 110.297 -176.08 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . 0.463 HG23 ' O ' ' A' ' 127' ' ' ALA . 90.4 t -98.89 126.25 52.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 70.22 109.886 -178.69 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -74.95 96.43 3.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.342 0.591 . . . . 45.42 111.399 -176.356 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 57.6 t -115.95 109.29 27.65 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.535 0 CA-C-N 115.392 -0.822 . . . . 75.02 109.973 175.384 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . 0.45 ' HB2' ' HA ' ' A' ' 98' ' ' GLU . 20.4 mmt180 -72.77 98.59 2.44 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.899 -0.592 . . . . 72.41 109.621 178.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.416 ' HA ' HD23 ' A' ' 136' ' ' LEU . 49.0 mt -74.86 100.28 4.03 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.551 0.691 . . . . 50.04 109.919 175.717 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . 0.527 ' O ' ' HA ' ' A' ' 100' ' ' ARG . 0.2 OUTLIER -109.59 111.66 37.12 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 CA-C-N 114.729 -1.123 . . . . 74.42 109.621 -179.022 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 4.1 m -96.65 138.85 20.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 115.564 -0.744 . . . . 53.11 110.097 -176.543 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.312 -1.04 0 CA-C-N 115.217 -0.901 . . . . 73.13 110.56 -175.858 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 16.8 ptt? . . . . . 0 CA--C 1.532 0.281 0 CA-C-O 120.537 0.208 . . . . 72.42 110.504 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 50.0 t30 -72.08 74.98 0.94 Allowed 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 121.281 0.562 . . . . 61.35 110.739 176.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . 0.548 HG21 ' HB2' ' B' ' 6' ' ' LYS . 30.8 mm -74.03 135.23 27.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.657 -0.701 . . . . 72.42 111.651 175.702 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.676 ' HG ' ' HD3' ' A' ' 87' ' ' PRO . 84.4 mt -95.47 -46.1 6.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.76 -0.654 . . . . 75.25 110.11 174.419 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 5' ' ' TYR . . . . . . . . . . . . . 24.5 t80 -132.05 130.34 41.2 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.961 -0.563 . . . . 75.45 109.491 -178.377 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . 0.548 ' HB2' HG21 ' B' ' 3' ' ' ILE . 38.6 ttmt -137.37 135.51 37.06 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.035 0.445 . . . . 65.01 111.134 177.756 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 5.3 t -134.99 142.27 46.42 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.601 -0.727 . . . . 72.52 109.279 178.327 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . 0.54 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . . . -109.18 152.93 24.48 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.946 0.403 . . . . 64.22 111.259 -174.28 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . 0.499 ' HA ' ' H ' ' B' ' 22' ' ' HIS . . . -139.17 116.93 11.5 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.053 -0.521 . . . . 31.45 110.446 175.154 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 27.4 m -95.05 124.41 39.08 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.783 -0.644 . . . . 64.31 110.132 -179.323 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 11' ' ' SER . . . . . 0.541 ' HA ' ' O ' ' B' ' 18' ' ' ARG . 57.4 p -131.35 115.77 16.69 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.596 0.236 . . . . 74.14 111.563 -177.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 11.3 m -94.54 158.32 15.59 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.926 -0.398 . . . . 53.42 109.926 176.196 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -89.24 59.61 3.81 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.897 -0.668 . . . . 71.12 111.771 177.356 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -47.35 -88.38 0.01 OUTLIER Glycine 0 C--N 1.342 0.893 0 O-C-N 123.905 0.415 . . . . 73.4 112.918 -177.771 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 10.1 tpp180 -88.96 -56.27 3.35 Favored 'General case' 0 C--O 1.238 0.5 0 N-CA-C 109.0 -0.741 . . . . 65.14 109.0 171.617 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 16' ' ' ASP . . . . . 0.57 ' HB3' ' HA ' ' B' ' 31' ' ' SER . 27.1 t70 -127.08 -43.38 1.66 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.305 -0.407 . . . . 65.33 110.431 169.034 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -161.05 148.03 15.43 Favored Glycine 0 C--N 1.344 0.975 0 C-N-CA 120.383 -0.913 . . . . 74.22 111.78 169.501 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 18' ' ' ARG . . . . . 0.541 ' O ' ' HA ' ' B' ' 11' ' ' SER . 0.7 OUTLIER -138.32 106.65 5.8 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 108.634 -0.876 . . . . 74.4 108.634 179.027 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 19' ' ' ALA . . . . . 0.568 ' HB2' ' HB2' ' A' ' 56' ' ' ALA . . . -103.81 123.83 47.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.052 0.453 . . . . 64.21 111.117 -173.399 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 24.3 m -125.31 112.57 16.51 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.706 -0.679 . . . . 75.11 109.816 177.015 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 21' ' ' SER . . . . . 0.544 ' HB3' ' N ' ' B' ' 26' ' ' LEU . 48.0 t -64.67 108.61 1.76 Allowed 'General case' 0 C--O 1.246 0.915 0 N-CA-C 107.071 -1.455 . . . . 74.21 107.071 175.343 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 22' ' ' HIS . . . . . 0.499 ' H ' ' HA ' ' B' ' 9' ' ' ALA . 15.4 t60 -53.85 -22.82 10.61 Favored 'General case' 0 C--N 1.346 0.433 0 O-C-N 126.622 2.451 . . . . 73.12 112.57 -164.683 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . 0.551 ' HB2' ' HG2' ' B' ' 25' ' ' LYS . 3.8 m-20 -80.57 19.33 0.82 Allowed 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 110.096 -0.335 . . . . 63.54 110.096 176.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 24' ' ' GLN . . . . . 0.402 ' H ' ' C ' ' B' ' 22' ' ' HIS . 87.9 mm-40 55.96 28.29 12.46 Favored 'General case' 0 CA--C 1.516 -0.34 0 CA-C-O 121.825 0.821 . . . . 71.43 110.189 -176.264 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . 0.551 ' HG2' ' HB2' ' B' ' 23' ' ' ASP . 9.6 mmpt? -83.28 -27.47 29.82 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 114.573 -1.194 . . . . 41.25 109.497 175.817 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . 0.544 ' N ' ' HB3' ' B' ' 21' ' ' SER . 44.3 tp -150.69 147.01 26.83 Favored 'General case' 0 C--O 1.223 -0.306 0 C-N-CA 119.705 -0.798 . . . . 71.52 111.426 -178.358 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 65.8 t0 -152.04 99.64 2.56 Favored 'General case' 0 CA--C 1.532 0.253 0 O-C-N 123.471 0.482 . . . . 53.33 109.887 172.774 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 3.4 m -144.11 178.18 1.85 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.512 0 CA-C-N 115.533 -0.758 . . . . 74.12 111.657 179.016 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.54 ' HA ' ' HA ' ' B' ' 18' ' ' ARG . 0.0 OUTLIER -135.15 145.68 48.04 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.279 -0.873 . . . . 64.31 110.193 179.598 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . 0.742 ' HA ' ' H ' ' B' ' 44' ' ' THR . 0.0 OUTLIER -131.6 160.53 35.08 Favored 'General case' 0 C--O 1.252 1.233 0 CA-C-O 121.006 0.432 . . . . 72.32 110.437 175.788 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 31' ' ' SER . . . . . 0.57 ' HA ' ' HB3' ' B' ' 16' ' ' ASP . 39.6 m -162.4 137.92 7.23 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 115.423 -0.808 . . . . 62.35 110.901 -176.779 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -72.96 115.02 36.06 Favored Pre-proline 0 C--O 1.237 0.432 0 CA-C-N 115.942 -0.572 . . . . 75.13 109.629 171.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 33' ' ' PRO . . . . . 0.725 ' HG2' ' HG3' ' B' ' 35' ' ' GLU . 36.6 Cg_endo -65.81 -159.54 0.04 OUTLIER 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.394 2.063 . . . . 71.3 111.535 178.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -110.24 48.24 0.91 Allowed 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.734 0.778 . . . . 71.43 109.102 178.576 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . 0.725 ' HG3' ' HG2' ' B' ' 33' ' ' PRO . 0.1 OUTLIER -48.27 -68.57 0.17 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 114.167 -1.378 . . . . 72.42 110.07 178.345 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.622 HD22 ' HB2' ' B' ' 35' ' ' GLU . 2.4 mm? -114.39 -32.9 5.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.141 -0.936 . . . . 63.52 109.08 174.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 173.09 46.66 0.05 OUTLIER Glycine 0 N--CA 1.448 -0.526 0 CA-C-N 115.757 -0.656 . . . . 51.22 112.495 -179.442 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -79.65 -122.67 0.4 Allowed Glycine 0 C--N 1.334 0.435 0 C-N-CA 120.859 -0.686 . . . . 64.12 111.668 177.411 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -108.52 -37.82 5.84 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.178 0.513 . . . . 71.25 110.539 179.803 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 86.49 78.37 1.22 Allowed Glycine 0 N--CA 1.451 -0.334 0 CA-C-N 115.655 -0.702 . . . . 53.13 111.757 -179.168 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . 0.411 ' H ' ' HA ' ' B' ' 33' ' ' PRO . . . -146.46 168.95 19.92 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.658 0.266 . . . . 45.11 110.958 -174.578 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -88.05 10.12 20.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.907 -0.588 . . . . 74.14 111.358 -176.371 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -77.55 -172.96 39.11 Favored Glycine 0 C--O 1.236 0.249 0 C-N-CA 121.189 -0.529 . . . . 72.12 113.02 -176.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 44' ' ' THR . . . . . 0.742 ' H ' ' HA ' ' B' ' 30' ' ' LEU . 29.3 m -98.01 147.3 24.65 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 110.158 -0.312 . . . . 35.03 110.158 -179.629 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 45' ' ' ASN . . . . . 0.413 ' HB3' ' OE1' ' B' ' 47' ' ' GLU . 10.6 m120 -65.7 125.38 89.66 Favored Pre-proline 0 CA--C 1.533 0.302 0 CA-C-N 116.404 -0.362 . . . . 71.14 110.716 179.177 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 46' ' ' PRO . . . . . 0.406 ' HB3' ' HB2' ' A' ' 57' ' ' CYS . 50.0 Cg_exo -55.19 -54.52 4.23 Favored 'Trans proline' 0 C--N 1.352 0.761 0 C-N-CA 122.999 2.466 . . . . 54.41 112.749 178.137 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 47' ' ' GLU . . . . . 0.413 ' OE1' ' HB3' ' B' ' 45' ' ' ASN . 0.0 OUTLIER -62.64 -38.85 91.89 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 116.265 -0.425 . . . . 73.03 110.399 -179.528 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . 0.826 HE21 ' HB2' ' A' ' 9' ' ' ALA . 22.0 tm0? -61.1 -43.2 99.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.101 -0.5 . . . . 65.22 110.074 176.318 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 49' ' ' LEU . . . . . 0.55 HD12 ' HA3' ' A' ' 53' ' ' GLY . 2.1 tm? -59.38 -48.38 81.85 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.457 -0.571 . . . . 73.15 109.457 -178.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 16.5 t80 -57.57 -46.54 83.84 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 115.926 -0.579 . . . . 74.53 110.748 176.184 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.97 -50.19 75.03 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.263 -0.426 . . . . 63.22 111.104 -179.524 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.85 -44.53 96.87 Favored 'General case' 0 C--O 1.237 0.423 0 CA-C-N 116.099 -0.5 . . . . 74.31 111.076 -179.216 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . 0.498 ' HA3' HD12 ' A' ' 49' ' ' LEU . . . -65.73 -33.94 87.42 Favored Glycine 0 C--N 1.33 0.247 0 CA-C-N 115.93 -0.577 . . . . 73.22 111.947 177.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -68.64 -47.56 66.27 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 110.073 -0.343 . . . . 73.14 110.073 179.188 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 55' ' ' SER . . . . . 0.544 ' HB3' ' HB2' ' B' ' 81' ' ' ALA . 19.0 p -62.71 -43.68 98.18 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.355 -0.384 . . . . 71.55 110.269 178.638 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 56' ' ' ALA . . . . . 0.509 ' HB2' ' HB2' ' A' ' 19' ' ' ALA . . . -65.41 -39.83 92.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 72.32 110.512 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 57' ' ' CYS . . . . . . . . . . . . . 43.9 t -62.32 -36.71 83.0 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.915 -0.584 . . . . 72.4 109.756 176.562 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -59.54 -40.76 88.29 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-N 115.683 -0.689 . . . . 52.32 110.385 179.545 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . 0.476 ' O ' ' HG2' ' B' ' 63' ' ' LYS . 4.4 mm? -61.35 -63.43 1.29 Allowed 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 116.304 -0.407 . . . . 64.41 110.598 177.274 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 23.3 m -54.18 -41.14 68.21 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-N 116.226 -0.443 . . . . 73.23 110.95 -178.434 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -59.04 -48.4 81.72 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.956 -0.565 . . . . 44.1 110.45 178.063 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 62' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -62.76 -35.47 79.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.339 -0.391 . . . . 71.0 111.184 179.846 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . 0.476 ' HG2' ' O ' ' B' ' 59' ' ' LEU . 10.2 mmpt? -62.75 -50.34 71.45 Favored 'General case' 0 N--CA 1.464 0.249 0 N-CA-C 109.809 -0.441 . . . . 72.03 109.809 178.548 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 84.3 t80 -64.19 -52.82 57.06 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 115.689 -0.687 . . . . 73.11 111.051 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 54.8 t -55.4 -47.61 77.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.933 -0.576 . . . . 75.05 111.138 -178.017 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -55.21 -35.07 64.49 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.315 0.578 . . . . 74.13 110.272 178.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -68.89 -29.72 72.5 Favored Glycine 0 N--CA 1.452 -0.235 0 CA-C-N 115.124 -0.944 . . . . 75.04 112.503 -175.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -99.09 -13.38 19.85 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.94 0.4 . . . . 64.5 109.999 179.304 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -88.81 -1.82 58.28 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 115.589 -0.732 . . . . 65.21 110.857 179.275 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 2.2 mptp? 64.97 34.62 8.81 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-O 121.251 0.548 . . . . 73.12 110.761 179.426 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -135.25 162.55 32.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.634 -0.712 . . . . 74.24 110.001 178.707 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 2.6 p -125.0 128.18 48.17 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.017 0.437 . . . . 74.12 110.923 178.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 72.0 mt -109.41 137.9 20.4 Favored Pre-proline 0 C--N 1.327 -0.402 0 CA-C-N 115.712 -0.677 . . . . 75.15 109.598 177.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 74' ' ' PRO . . . . . 0.406 ' O ' HG22 ' B' ' 77' ' ' THR . 52.4 Cg_exo -55.82 151.53 39.99 Favored 'Trans proline' 0 C--N 1.349 0.556 0 C-N-CA 123.298 2.665 . . . . 62.01 113.761 -172.832 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -77.7 -31.15 52.21 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.468 0.651 . . . . 71.53 110.991 173.079 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -80.95 21.96 0.65 Allowed 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 115.326 -0.852 . . . . 60.22 111.644 -172.55 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 77' ' ' THR . . . . . 0.406 HG22 ' O ' ' B' ' 74' ' ' PRO . 6.2 t -93.3 156.94 16.5 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.303 -0.408 . . . . 73.25 110.997 -178.649 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 78' ' ' THR . . . . . 0.58 HG22 ' HA ' ' A' ' 12' ' ' THR . 2.2 p -139.07 150.79 46.14 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.886 -0.597 . . . . 71.23 111.112 -179.494 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 79' ' ' VAL . . . . . 0.443 ' HA ' ' O ' ' B' ' 100' ' ' ARG . 62.5 t -133.2 115.59 23.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 115.613 -0.721 . . . . 54.24 109.426 174.843 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 80' ' ' THR . . . . . 0.404 ' HA ' ' HA ' ' A' ' 10' ' ' THR . 25.4 m -102.6 110.67 22.68 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.041 -0.527 . . . . 72.42 110.894 -177.296 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 81' ' ' ALA . . . . . 0.544 ' HB2' ' HB3' ' B' ' 55' ' ' SER . . . -93.38 111.57 23.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.994 -0.548 . . . . 73.43 109.664 176.438 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 82' ' ' GLU . . . . . 0.559 ' HG2' ' HD3' ' A' ' 6' ' ' LYS . 26.2 tt0 -111.83 107.67 16.79 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 108.769 -0.826 . . . . 71.23 108.769 178.745 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . 0.414 ' O ' ' HG3' ' A' ' 6' ' ' LYS . 10.5 p -108.57 141.1 24.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 71.44 111.103 -170.728 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 84' ' ' GLY . . . . . 0.43 ' HA2' ' HA ' ' A' ' 6' ' ' LYS . . . -138.08 168.23 24.65 Favored Glycine 0 N--CA 1.443 -0.896 0 C-N-CA 121.027 -0.606 . . . . 52.45 112.433 179.563 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -137.34 132.49 45.92 Favored 'Isoleucine or valine' 0 C--O 1.244 0.804 0 N-CA-C 108.674 -0.861 . . . . 73.1 108.674 -178.266 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 86' ' ' GLY . . . . . 0.496 ' HA2' ' HG ' ' A' ' 4' ' ' LEU . . . -148.76 169.82 29.24 Favored Glycine 0 C--N 1.33 0.202 0 O-C-N 124.238 0.961 . . . . 52.3 111.443 -178.069 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 87' ' ' PRO . . . . . 0.662 ' HD3' ' HG ' ' A' ' 4' ' ' LEU . 1.9 Cg_endo -80.76 121.23 4.06 Favored 'Trans proline' 0 N--CA 1.457 -0.668 0 C-N-CA 122.722 2.281 . . . . 61.3 112.311 -177.478 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 88' ' ' ASN . . . . . . . . . . . . . 53.7 t-20 -70.74 138.75 50.77 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 108.892 -0.781 . . . . 72.3 108.892 175.192 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -60.21 -20.09 57.21 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.076 0.465 . . . . 65.22 111.178 -178.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -69.09 -18.9 64.04 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 115.753 -0.658 . . . . 74.05 111.221 177.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.47 35.12 3.41 Favored Glycine 0 C--N 1.324 -0.103 0 CA-C-N 115.891 -0.595 . . . . 72.2 112.442 179.371 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . -141.86 -157.13 7.05 Favored Glycine 0 N--CA 1.451 -0.325 0 N-CA-C 110.79 -0.924 . . . . 70.13 110.79 176.394 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 93' ' ' PHE . . . . . 0.422 ' HE1' ' CZ ' ' A' ' 64' ' ' PHE . 67.6 m-85 -108.16 159.56 16.5 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 117.203 0.502 . . . . 73.12 110.123 176.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -144.66 141.54 29.43 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.108 -0.496 . . . . 62.21 110.166 -179.522 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -101.74 138.49 38.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.8 -0.637 . . . . 74.21 110.229 179.11 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 96' ' ' ASP . . . . . 0.644 ' HB3' HD11 ' A' ' 3' ' ' ILE . 34.7 t70 -138.6 110.8 7.36 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.323 -0.853 . . . . 73.53 109.704 -174.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 97' ' ' VAL . . . . . 0.602 HG13 HG13 ' B' ' 134' ' ' VAL . 3.9 p -128.21 128.9 69.1 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.902 0 CA-C-O 121.378 0.608 . . . . 65.34 112.076 -174.78 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 98' ' ' GLU . . . . . 0.442 ' HG3' ' HB3' ' B' ' 135' ' ' ARG . 1.5 mp0 -95.85 122.7 38.93 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.252 -0.885 . . . . 74.42 109.573 175.607 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 99' ' ' LEU . . . . . 0.478 ' HB2' HD23 ' B' ' 136' ' ' LEU . 70.5 mt -100.04 107.44 19.36 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.216 -0.661 . . . . 61.12 109.216 174.643 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 100' ' ' ARG . . . . . 0.526 ' HA ' ' O ' ' B' ' 137' ' ' VAL . 61.6 mtt85 -98.99 112.52 24.61 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.198 -0.455 . . . . 64.11 109.862 -176.596 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 101' ' ' VAL . . . . . . . . . . . . . 96.2 t -102.51 100.69 10.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.088 -0.505 . . . . 60.12 110.824 -174.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 102' ' ' ALA . . . . . 0.519 ' HA ' ' HB3' ' B' ' 139' ' ' ALA . . . -94.42 101.34 13.26 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.626 -0.509 . . . . 53.32 109.626 176.674 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 103' ' ' LEU . . . . . 0.403 ' HB2' HD23 ' B' ' 106' ' ' LEU . 13.1 mt -112.86 111.43 51.16 Favored Pre-proline 0 C--N 1.327 -0.382 0 CA-C-N 115.668 -0.696 . . . . 72.24 109.92 -178.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 104' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -70.98 147.77 55.71 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.697 2.265 . . . . 74.24 112.779 -179.461 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 105' ' ' GLY . . . . . . . . . . . . . . . 69.69 15.17 70.81 Favored Glycine 0 CA--C 1.521 0.408 0 CA-C-N 115.38 -0.827 . . . . 72.34 112.808 179.412 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 106' ' ' LEU . . . . . 0.412 HD21 ' HA ' ' B' ' 111' ' ' ALA . 23.9 tp -123.44 139.97 53.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.883 0.373 . . . . 60.53 111.176 -176.812 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -74.78 144.01 43.77 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.866 -0.606 . . . . 63.12 110.051 175.305 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 108' ' ' ALA . . . . . 0.453 ' O ' ' HG3' ' B' ' 112' ' ' LYS . . . -62.94 -38.5 91.26 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.836 0.35 . . . . 34.32 110.531 178.515 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -57.02 -51.74 68.03 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 115.948 -0.569 . . . . 64.51 110.66 179.373 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 110' ' ' ALA . . . . . 0.527 ' O ' HG22 ' B' ' 113' ' ' THR . . . -67.91 -38.59 83.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.108 -0.496 . . . . 72.03 110.551 178.174 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 111' ' ' ALA . . . . . 0.417 ' O ' HG23 ' B' ' 115' ' ' VAL . . . -55.43 -39.3 70.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.697 -0.683 . . . . 64.14 110.817 -179.321 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 112' ' ' LYS . . . . . 0.453 ' HG3' ' O ' ' B' ' 108' ' ' ALA . 68.5 mttm -52.99 -47.91 67.88 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.093 -0.503 . . . . 74.45 110.703 176.741 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 113' ' ' THR . . . . . 0.527 HG22 ' O ' ' B' ' 110' ' ' ALA . 0.7 OUTLIER -74.05 -33.4 63.69 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 116.446 -0.343 . . . . 72.03 110.708 -176.174 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 44.8 mt -66.9 -45.44 77.97 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-O 120.798 0.332 . . . . 70.23 110.42 179.183 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 115' ' ' VAL . . . . . 0.562 HG21 HG12 ' B' ' 138' ' ' VAL . 94.8 t -65.77 -36.02 76.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.165 -0.47 . . . . 63.55 110.059 177.288 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -58.8 -59.89 4.72 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 116.22 -0.445 . . . . 75.43 110.632 177.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 117' ' ' ARG . . . . . . . . . . . . . 10.6 ptm180 -60.49 -43.13 97.34 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 115.959 -0.564 . . . . 70.2 110.802 -177.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -63.33 -39.62 95.05 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.096 0.474 . . . . 61.11 110.784 179.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 119' ' ' HIS . . . . . 0.596 ' CE1' HG23 ' B' ' 128' ' ' THR . 28.8 t-80 -87.77 10.12 19.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.806 -0.634 . . . . 74.31 110.172 -178.369 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 5.0 t60 -107.53 -32.59 7.64 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.696 -0.683 . . . . 61.52 109.535 176.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 33.1 m -100.96 7.94 9.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.874 -0.603 . . . . 63.42 111.396 -177.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 122' ' ' CYS . . . . . 0.626 ' SG ' HG21 ' B' ' 128' ' ' THR . 18.8 p -65.66 140.88 97.6 Favored Pre-proline 0 CA--C 1.533 0.312 0 CA-C-N 116.444 -0.344 . . . . 74.53 110.688 -179.73 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 123' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_endo -64.02 -6.83 11.98 Favored 'Trans proline' 0 C--N 1.353 0.766 0 C-N-CA 122.788 2.325 . . . . 65.25 112.833 -177.492 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 124' ' ' TYR . . . . . . . . . . . . . 55.0 m-85 . . . . . 0 CA--C 1.534 0.364 0 CA-C-O 121.126 0.489 . . . . 65.35 110.106 177.592 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 128' ' ' THR . . . . . 0.626 HG21 ' SG ' ' B' ' 122' ' ' CYS . 14.9 t . . . . . 0 N--CA 1.448 -0.538 0 N-CA-C 108.159 -1.052 . . . . 55.14 108.159 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 129' ' ' ARG . . . . . 0.494 ' HB3' ' HD1' ' B' ' 119' ' ' HIS . 23.5 ptt180 -118.06 -48.2 2.55 Favored 'General case' 0 N--CA 1.445 -0.693 0 CA-C-N 114.821 -1.081 . . . . 75.21 111.139 -178.712 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 130' ' ' ASN . . . . . 0.445 ' N ' ' HG3' ' B' ' 129' ' ' ARG . 6.6 m120 -78.81 -35.5 44.11 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.351 -0.386 . . . . 74.14 110.975 -175.04 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 131' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -92.2 -42.4 9.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.903 -0.589 . . . . 75.43 110.991 -175.293 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 132' ' ' VAL . . . . . . . . . . . . . 48.3 t -96.57 146.21 7.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.783 -0.644 . . . . 52.13 110.633 -175.229 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 133' ' ' ALA . . . . . . . . . . . . . . . -79.35 82.26 5.52 Favored 'General case' 0 C--O 1.239 0.526 0 CA-C-O 122.025 0.916 . . . . 72.23 111.078 -178.405 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 134' ' ' VAL . . . . . 0.602 HG13 HG13 ' B' ' 97' ' ' VAL . 24.1 t -119.56 105.97 18.31 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.751 0 CA-C-N 114.594 -1.184 . . . . 61.1 109.947 176.393 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 135' ' ' ARG . . . . . 0.442 ' HB3' ' HG3' ' B' ' 98' ' ' GLU . 0.1 OUTLIER -78.98 103.12 8.71 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.357 -0.609 . . . . 74.32 109.357 -178.943 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 136' ' ' LEU . . . . . 0.478 HD23 ' HB2' ' B' ' 99' ' ' LEU . 71.5 mt -74.67 114.66 13.35 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.277 -0.419 . . . . 72.41 110.247 175.81 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 137' ' ' VAL . . . . . 0.526 ' O ' ' HA ' ' B' ' 100' ' ' ARG . 0.2 OUTLIER -123.57 117.49 51.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 115.388 -0.824 . . . . 72.22 109.79 -178.753 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 138' ' ' VAL . . . . . 0.562 HG12 HG21 ' B' ' 115' ' ' VAL . 3.2 m -97.6 138.51 22.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 115.895 -0.593 . . . . 70.52 109.724 -178.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 139' ' ' ALA . . . . . 0.519 ' HB3' ' HA ' ' B' ' 102' ' ' ALA . . . . . . . . 0 C--O 1.251 1.166 0 CA-C-N 115.969 -0.56 . . . . 71.35 110.284 -175.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.6 ptt? . . . . . 0 N--CA 1.484 1.274 0 N-CA-C 110.35 -0.241 . . . . 71.43 110.35 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . 0.511 HD22 ' HD2' ' B' ' 87' ' ' PRO . 22.4 t30 -73.01 75.79 1.2 Allowed 'General case' 0 CA--C 1.536 0.417 0 CA-C-O 121.35 0.595 . . . . 75.52 110.773 177.474 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.551 HG21 ' HB2' ' A' ' 6' ' ' LYS . 25.0 mm -75.66 142.15 14.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.61 -0.723 . . . . 51.02 111.693 176.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.701 ' HG ' ' HD3' ' B' ' 87' ' ' PRO . 90.8 mt -94.13 -46.58 7.04 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.621 -0.718 . . . . 74.21 109.997 172.108 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 54.5 t80 -137.41 131.92 32.71 Favored 'General case' 0 C--O 1.223 -0.302 0 CA-C-N 116.259 -0.428 . . . . 54.43 110.091 -178.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.551 ' HB2' HG21 ' A' ' 3' ' ' ILE . 30.7 ttmt -138.21 135.23 35.39 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.513 -0.312 . . . . 62.42 110.418 179.285 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 8.8 t -132.83 144.14 50.02 Favored 'General case' 0 C--O 1.239 0.535 0 CA-C-N 115.999 -0.546 . . . . 73.02 109.918 -178.19 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.448 ' HA ' ' HA ' ' B' ' 82' ' ' GLU . . . -111.37 151.44 28.46 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-O 121.353 0.597 . . . . 64.34 111.759 -174.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.427 ' HB2' ' HG2' ' B' ' 48' ' ' GLN . . . -151.45 117.87 5.67 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.463 -0.79 . . . . 65.14 109.965 176.791 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.561 ' HA ' ' HA ' ' B' ' 80' ' ' THR . 12.4 t -100.06 133.39 44.52 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.843 -0.617 . . . . 73.43 109.56 -177.493 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 76.4 p -117.35 113.23 21.82 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.417 -0.356 . . . . 71.32 110.587 -177.395 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 4.7 m -90.48 158.41 17.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.483 . . . . 72.12 111.216 -178.345 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -83.55 73.57 2.65 Favored Glycine 0 N--CA 1.447 -0.625 0 C-N-CA 121.041 -0.599 . . . . 62.44 112.066 175.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -70.85 -123.22 0.05 OUTLIER Glycine 0 CA--C 1.52 0.349 0 C-N-CA 121.346 -0.454 . . . . 62.02 112.438 178.33 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.63 ' HA ' ' HE ' ' A' ' 15' ' ' ARG . 0.1 OUTLIER -61.44 -55.15 34.52 Favored 'General case' 0 N--CA 1.462 0.155 0 N-CA-C 108.789 -0.819 . . . . 73.04 108.789 175.182 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.593 ' HB3' ' HA ' ' A' ' 31' ' ' SER . 26.2 t0 -125.73 -42.53 1.92 Allowed 'General case' 0 CA--C 1.511 -0.542 0 CA-C-N 115.2 -0.909 . . . . 74.22 108.685 167.217 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -161.7 166.81 36.24 Favored Glycine 0 N--CA 1.439 -1.115 0 C-N-CA 119.715 -1.231 . . . . 73.12 112.163 173.7 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.679 ' HA ' ' HA ' ' A' ' 29' ' ' LYS . 14.8 mtm180 -130.83 171.31 13.29 Favored 'General case' 0 C--N 1.311 -1.069 0 N-CA-C 109.256 -0.646 . . . . 73.24 109.256 173.214 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.609 ' HB1' ' HB1' ' B' ' 52' ' ' ALA . . . -149.15 123.02 9.32 Favored 'General case' 0 C--N 1.313 -1.009 0 N-CA-C 108.646 -0.872 . . . . 71.12 108.646 173.715 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 29.0 m -135.73 110.27 8.56 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 116.162 -0.472 . . . . 63.53 110.38 -177.014 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.569 ' HB3' ' N ' ' A' ' 26' ' ' LEU . 48.0 t -68.67 107.21 2.89 Favored 'General case' 0 C--O 1.245 0.857 0 N-CA-C 106.866 -1.531 . . . . 62.3 106.866 176.466 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.419 ' C ' ' H ' ' A' ' 24' ' ' GLN . 19.4 t-80 -60.56 -14.91 22.75 Favored 'General case' 0 C--N 1.343 0.302 0 O-C-N 125.748 1.905 . . . . 71.44 111.658 -168.817 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.54 ' HB2' ' HE2' ' A' ' 25' ' ' LYS . 13.5 m-20 -80.4 13.4 2.45 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.126 -0.694 . . . . 73.43 109.126 175.288 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.419 ' H ' ' C ' ' A' ' 22' ' ' HIS . 26.0 mm-40 65.48 30.27 10.84 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 115.052 -0.976 . . . . 72.53 109.722 178.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.54 ' HE2' ' HB2' ' A' ' 23' ' ' ASP . 55.0 mtmt -98.23 -19.09 18.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 114.892 -1.049 . . . . 73.44 110.73 178.683 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.569 ' N ' ' HB3' ' A' ' 21' ' ' SER . 43.6 tp -152.6 148.06 26.89 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 119.956 -0.698 . . . . 74.42 111.887 178.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -159.55 99.97 1.46 Allowed 'General case' 0 N--CA 1.468 0.452 0 O-C-N 123.696 0.622 . . . . 74.13 110.138 174.341 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 4.1 m -145.73 178.26 1.34 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 C-N-CA 122.903 0.481 . . . . 62.12 111.776 -178.65 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.679 ' HA ' ' HA ' ' A' ' 18' ' ' ARG . 13.1 ttmt -132.3 144.78 50.82 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.39 -0.823 . . . . 62.42 110.387 179.563 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.544 ' N ' HD13 ' A' ' 30' ' ' LEU . 0.0 OUTLIER -128.33 161.43 29.42 Favored 'General case' 0 C--O 1.254 1.304 0 CA-C-O 121.108 0.48 . . . . 64.12 110.582 175.301 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.593 ' HA ' ' HB3' ' A' ' 16' ' ' ASP . 49.0 m -156.8 135.12 11.33 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 115.409 -0.814 . . . . 75.34 110.59 -176.022 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -79.23 140.67 56.98 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-N 116.139 -0.482 . . . . 52.21 110.202 176.605 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.725 ' HB2' ' HG2' ' A' ' 35' ' ' GLU . 39.9 Cg_endo -65.47 150.07 87.23 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.324 2.016 . . . . 73.33 111.181 178.839 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.67 ' HB2' ' HA3' ' A' ' 40' ' ' GLY . 5.3 tpt180 -82.43 3.65 27.3 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.635 0.255 . . . . 50.12 110.365 -174.781 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.725 ' HG2' ' HB2' ' A' ' 33' ' ' PRO . 16.3 mm-40 -42.46 -61.48 1.2 Allowed 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 115.636 -0.711 . . . . 75.14 111.291 178.324 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 7.4 mp -95.9 13.26 27.41 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.437 -0.802 . . . . 63.44 110.734 -177.241 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 94.1 32.78 7.28 Favored Glycine 0 C--N 1.33 0.234 0 CA-C-N 115.983 -0.553 . . . . 72.22 112.341 -177.637 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -73.77 -123.04 0.09 OUTLIER Glycine 0 C--N 1.333 0.372 0 C-N-CA 121.345 -0.455 . . . . 73.44 112.366 178.059 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -117.41 -17.57 10.06 Favored 'General case' 0 C--N 1.332 -0.179 0 O-C-N 122.459 -0.436 . . . . 63.22 112.1 -179.06 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.67 ' HA3' ' HB2' ' A' ' 34' ' ' ARG . . . 53.95 78.13 0.12 Allowed Glycine 0 C--N 1.333 0.38 0 O-C-N 123.279 0.362 . . . . 45.53 113.979 175.625 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -162.5 -178.81 6.49 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.206 0.527 . . . . 44.21 111.71 178.534 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -88.25 81.15 7.38 Favored 'General case' 0 CA--C 1.515 -0.395 0 CA-C-N 115.283 -0.871 . . . . 71.23 110.407 -177.224 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -148.4 177.21 26.8 Favored Glycine 0 C--N 1.309 -0.954 0 CA-C-N 114.503 -1.226 . . . . 55.55 111.908 178.56 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.522 ' H ' ' HA ' ' A' ' 30' ' ' LEU . 25.5 m -87.6 152.44 22.18 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.646 -0.502 . . . . 74.01 109.646 179.152 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.592 ' ND2' ' HD3' ' A' ' 33' ' ' PRO . 5.6 m120 -86.26 122.28 72.34 Favored Pre-proline 0 C--N 1.326 -0.447 0 N-CA-C 108.946 -0.761 . . . . 72.33 108.946 178.516 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 6.6 Cg_endo -47.06 -52.55 7.61 Favored 'Trans proline' 0 C--N 1.349 0.581 0 C-N-CA 123.195 2.597 . . . . 63.04 112.912 -174.381 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -66.27 -32.92 74.63 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.086 0.47 . . . . 62.13 110.505 -176.683 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 9.9 tt0 -69.97 -30.83 68.28 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.146 0.498 . . . . 72.35 109.962 177.045 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.414 HD12 ' HA3' ' B' ' 53' ' ' GLY . 3.0 tm? -67.2 -44.06 80.56 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 108.753 -0.832 . . . . 71.11 108.753 177.066 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 36.6 t80 -60.52 -45.62 93.14 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 115.893 -0.594 . . . . 64.45 110.566 174.234 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -53.09 -50.53 64.23 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-O 120.864 0.364 . . . . 52.03 111.367 176.552 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.61 -47.36 85.87 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 116.106 -0.497 . . . . 51.43 110.511 179.406 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.56 ' HA3' HD12 ' B' ' 49' ' ' LEU . . . -63.52 -35.58 92.24 Favored Glycine 0 C--O 1.226 -0.388 0 CA-C-N 115.69 -0.686 . . . . 45.35 112.264 179.369 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -64.0 -47.92 78.44 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.315 -0.624 . . . . 71.4 109.315 179.565 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 18.4 m -61.24 -47.57 85.46 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.832 -0.622 . . . . 50.31 110.352 178.56 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.602 ' HB1' HD21 ' B' ' 30' ' ' LEU . . . -64.17 -42.69 96.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.482 -0.781 . . . . 72.41 111.314 -178.422 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.598 ' SG ' ' HB3' ' B' ' 46' ' ' PRO . 74.4 m -67.99 -38.9 83.21 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.442 -0.344 . . . . 74.4 110.284 -179.864 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 29.8 t80 -63.03 -41.16 99.45 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.961 -0.563 . . . . 64.12 109.52 179.789 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -68.38 -49.77 57.73 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 115.434 -0.803 . . . . 74.12 110.461 -178.488 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.616 ' HA ' ' HD3' ' A' ' 63' ' ' LYS . 24.6 t -63.62 -44.59 93.46 Favored 'General case' 0 C--O 1.24 0.569 0 CA-C-O 121.068 0.461 . . . . 74.4 110.348 -178.772 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -60.08 -42.56 94.85 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 116.256 -0.429 . . . . 64.15 110.003 177.004 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . 0.557 ' HG3' HD11 ' A' ' 73' ' ' LEU . 3.2 tpt -58.23 -38.13 76.22 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 115.677 -0.692 . . . . 61.32 110.118 177.194 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.616 ' HD3' ' HA ' ' A' ' 60' ' ' SER . 25.6 mtpp -61.7 -50.03 74.11 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 115.869 -0.605 . . . . 62.32 110.333 176.605 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 50.6 t80 -58.07 -46.98 84.54 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 116.132 -0.485 . . . . 70.35 110.73 177.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 54.1 t -56.99 -42.64 79.5 Favored 'Isoleucine or valine' 0 C--O 1.236 0.39 0 CA-C-N 115.906 -0.588 . . . . 51.41 110.931 179.583 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.466 ' HA ' ' HG3' ' A' ' 71' ' ' GLN . . . -57.31 -32.33 66.57 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.293 0.568 . . . . 55.45 110.374 177.809 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -72.29 -26.56 71.79 Favored Glycine 0 N--CA 1.452 -0.291 0 CA-C-N 115.185 -0.916 . . . . 65.01 112.653 -176.21 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -97.72 -23.41 15.94 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.162 0.506 . . . . 73.33 109.742 -178.197 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 25.4 m-80 -89.24 -0.48 57.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.454 -0.794 . . . . 73.35 111.395 179.586 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 9.3 mptt 62.4 26.52 15.83 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 116.148 -0.478 . . . . 70.5 111.54 176.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.466 ' HG3' ' HA ' ' A' ' 66' ' ' ALA . 1.3 pt20 -111.88 169.58 8.74 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.005 -0.543 . . . . 65.11 110.447 -179.349 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 26.8 p -123.08 141.37 52.04 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-N 116.299 -0.409 . . . . 71.13 110.862 -178.314 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.557 HD11 ' HG3' ' A' ' 62' ' ' MET . 95.9 mt -109.4 142.74 26.31 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 116.19 -0.459 . . . . 63.13 110.964 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.52 ' O ' HG22 ' A' ' 77' ' ' THR . 19.3 Cg_exo -67.02 141.35 57.68 Favored 'Trans proline' 0 C--N 1.349 0.559 0 C-N-CA 122.845 2.363 . . . . 75.32 112.015 177.551 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -77.06 -15.35 59.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.429 0.633 . . . . 74.43 110.895 178.799 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -91.98 12.37 22.05 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.156 -0.929 . . . . 72.44 112.12 -172.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.52 HG22 ' O ' ' A' ' 74' ' ' PRO . 8.6 t -89.07 153.49 20.94 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.17 0.51 . . . . 73.42 111.986 -175.674 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.0 p -144.38 154.38 42.93 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.43 -0.805 . . . . 65.01 110.583 179.424 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 84.8 t -130.51 123.77 55.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 115.866 -0.606 . . . . 73.54 109.4 175.377 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 32.6 m -113.46 110.93 21.1 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.356 -0.384 . . . . 61.0 110.558 -178.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -93.11 107.09 18.96 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.228 -0.442 . . . . 75.0 109.827 177.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.469 ' HA ' ' HA ' ' B' ' 8' ' ' ALA . 36.3 tt0 -104.95 107.71 18.83 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.056 -0.72 . . . . 74.0 109.056 -179.264 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.404 HG12 ' HB ' ' A' ' 97' ' ' VAL . 24.8 m -101.69 141.21 18.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.377 -0.374 . . . . 74.25 111.441 -173.258 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -130.94 153.14 20.18 Favored Glycine 0 N--CA 1.444 -0.819 0 N-CA-C 111.222 -0.751 . . . . 64.22 111.222 176.047 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -132.7 133.0 59.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 N-CA-C 109.327 -0.62 . . . . 71.32 109.327 -179.39 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -149.03 169.96 29.42 Favored Glycine 0 N--CA 1.453 -0.174 0 CA-C-N 115.495 -0.775 . . . . 64.2 111.168 179.758 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.503 ' HD3' ' HG ' ' B' ' 4' ' ' LEU . 62.1 Cg_endo -72.83 138.06 28.14 Favored 'Trans proline' 0 N--CA 1.461 -0.399 0 C-N-CA 122.186 1.924 . . . . 75.13 111.855 -178.126 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 54.4 t-20 -83.6 139.48 32.81 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.049 -0.722 . . . . 63.43 109.049 178.316 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -62.53 -16.56 56.57 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.956 0.408 . . . . 74.31 110.725 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -68.38 -19.39 64.62 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 115.527 -0.761 . . . . 62.35 111.047 175.379 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.31 34.87 3.52 Favored Glycine 0 CA--C 1.518 0.223 0 CA-C-N 115.813 -0.631 . . . . 52.42 111.963 -177.481 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -144.7 -135.61 2.92 Favored Glycine 0 C--N 1.331 0.255 0 N-CA-C 111.473 -0.651 . . . . 74.12 111.473 178.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 -126.21 163.17 23.76 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.917 -0.401 . . . . 72.25 109.917 178.2 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -150.61 147.13 27.04 Favored 'General case' 0 C--O 1.239 0.527 0 CA-C-N 116.345 -0.389 . . . . 73.43 110.497 -177.502 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -113.76 134.88 54.5 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 115.404 -0.816 . . . . 75.45 109.775 -176.274 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.481 ' HB2' ' SD ' ' B' ' 1' ' ' MET . 11.4 t70 -133.07 112.11 11.52 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.125 -0.694 . . . . 62.1 109.125 -178.243 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.417 ' O ' ' HA ' ' A' ' 134' ' ' VAL . 2.4 p -113.99 117.72 56.31 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.258 0 CA-C-O 121.292 0.567 . . . . 41.42 112.122 -174.379 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.509 ' HA ' ' HB2' ' A' ' 135' ' ' ARG . 42.7 mt-10 -88.05 104.26 16.49 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.607 -0.724 . . . . 51.52 109.36 175.576 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 14.2 tp -93.91 110.74 22.39 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.342 -0.614 . . . . 73.33 109.342 -178.164 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.55 ' HA ' ' O ' ' A' ' 137' ' ' VAL . 53.5 mtt-85 -99.49 124.36 44.59 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.583 -0.735 . . . . 73.43 110.38 -174.323 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 43.9 t -111.91 98.33 6.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 116.269 -0.423 . . . . 72.23 110.316 -176.272 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -91.72 101.4 14.01 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.964 0.411 . . . . 73.1 109.946 -179.632 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.44 ' HB2' HD23 ' A' ' 106' ' ' LEU . 26.7 mt -112.97 114.75 48.79 Favored Pre-proline 0 C--N 1.326 -0.42 0 CA-C-N 115.771 -0.649 . . . . 73.31 109.996 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 66.9 Cg_endo -73.79 152.45 47.27 Favored 'Trans proline' 0 C--O 1.235 0.334 0 C-N-CA 122.63 2.22 . . . . 73.52 111.824 179.256 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 68.28 15.06 67.38 Favored Glycine 0 CA--C 1.52 0.368 0 CA-C-N 115.854 -0.612 . . . . 54.45 112.686 -178.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.44 HD23 ' HB2' ' A' ' 103' ' ' LEU . 35.6 tp -126.72 141.41 51.85 Favored 'General case' 0 N--CA 1.464 0.236 0 C-N-CA 122.478 0.311 . . . . 65.03 110.28 -177.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -78.4 163.59 25.52 Favored 'General case' 0 CA--C 1.509 -0.606 0 CA-C-N 116.498 -0.319 . . . . 72.42 111.002 -179.67 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.559 ' O ' ' HG2' ' A' ' 112' ' ' LYS . . . -66.91 -44.53 80.54 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.428 -0.805 . . . . 74.35 109.748 169.674 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -58.89 -50.46 73.95 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 115.632 -0.713 . . . . 64.13 110.865 -176.653 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 0.49 ' O ' ' HG ' ' A' ' 114' ' ' LEU . . . -70.21 -44.45 68.62 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.865 -0.607 . . . . 73.25 109.972 179.451 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -54.74 -35.09 63.36 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 115.77 -0.65 . . . . 54.13 111.746 179.813 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . 0.559 ' HG2' ' O ' ' A' ' 108' ' ' ALA . 12.5 mmmm -52.08 -49.43 63.55 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 120.896 0.379 . . . . 74.23 110.945 179.281 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . 0.419 HG22 ' O ' ' A' ' 110' ' ' ALA . 2.2 t -79.85 -36.31 36.92 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 116.175 -0.466 . . . . 74.22 110.435 -176.132 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.49 ' HG ' ' O ' ' A' ' 110' ' ' ALA . 33.6 mt -60.8 -51.05 70.99 Favored 'General case' 0 C--O 1.228 -0.057 0 CA-C-N 115.986 -0.552 . . . . 61.01 110.905 -178.33 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.465 HG21 HG12 ' A' ' 138' ' ' VAL . 93.5 t -62.99 -38.65 82.58 Favored 'Isoleucine or valine' 0 C--O 1.236 0.395 0 CA-C-O 120.985 0.421 . . . . 72.22 110.483 178.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -54.91 -59.82 4.21 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 115.667 -0.697 . . . . 63.5 110.504 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 13.1 ptm180 -69.49 -34.33 74.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.676 -0.693 . . . . 65.24 110.675 -177.58 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . 0.508 ' HA ' HG22 ' A' ' 121' ' ' VAL . . . -57.79 -36.95 72.89 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 115.857 -0.61 . . . . 63.41 110.549 177.625 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . 0.498 ' O ' ' HB3' ' A' ' 123' ' ' PRO . 3.8 t-80 -67.55 -9.69 44.93 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 115.737 -0.665 . . . . 74.13 111.157 -178.535 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . 0.448 ' HB2' ' NH1' ' A' ' 129' ' ' ARG . 20.2 t-160 -108.7 -42.85 4.4 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 116.603 -0.271 . . . . 75.14 111.403 175.864 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.508 HG22 ' HA ' ' A' ' 118' ' ' ALA . 27.6 m -81.93 -19.66 10.75 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.302 0 N-CA-C 111.637 0.236 . . . . 74.54 111.637 -174.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' CYS . . . . . 0.515 ' N ' ' HD3' ' A' ' 123' ' ' PRO . 53.9 t -141.71 57.12 6.66 Favored Pre-proline 0 CA--C 1.535 0.391 0 CA-C-O 120.757 0.313 . . . . 72.12 110.943 -179.384 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' PRO . . . . . 0.515 ' HD3' ' N ' ' A' ' 122' ' ' CYS . 36.2 Cg_endo -100.03 -168.99 0.09 OUTLIER 'Trans proline' 0 N--CA 1.453 -0.878 0 C-N-CA 123.271 2.647 . . . . 74.45 112.234 -179.841 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -102.76 -4.94 24.25 Favored 'General case' 0 CA--C 1.534 0.336 0 N-CA-C 108.989 -0.745 . . . . 65.44 108.989 173.174 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . 0.446 ' O ' HG22 ' A' ' 128' ' ' THR . 42.5 t 171.2 164.3 0.08 Allowed 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 114.866 -1.061 . . . . 62.44 108.77 179.675 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 28.2 p-10 -72.21 -31.94 66.32 Favored 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 108.7 -0.852 . . . . 73.42 108.7 173.688 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . 0.629 ' O ' ' HB3' ' A' ' 131' ' ' ASN . . . -71.48 6.81 1.64 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 114.9 -1.046 . . . . 54.1 111.713 -179.5 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 128' ' ' THR . . . . . 0.446 HG22 ' O ' ' A' ' 125' ' ' SER . 3.3 t -92.84 -1.63 56.6 Favored 'General case' 0 CA--C 1.514 -0.433 0 N-CA-C 108.592 -0.892 . . . . 73.21 108.592 -171.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . 0.448 ' NH1' ' HB2' ' A' ' 120' ' ' HIS . 13.8 ptm180 -127.85 -46.76 1.4 Allowed 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 115.161 -0.927 . . . . 72.04 111.782 -178.386 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -78.48 -48.12 16.0 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-O 121.455 0.645 . . . . 71.52 110.858 177.809 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 131' ' ' ASN . . . . . 0.629 ' HB3' ' O ' ' A' ' 127' ' ' ALA . 2.5 t-20 -77.94 -43.51 29.62 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 114.984 -1.007 . . . . 72.12 111.1 -175.125 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 58.9 t -101.94 136.08 35.7 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.261 0 CA-C-N 116.352 -0.385 . . . . 70.22 110.464 -178.538 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -82.35 99.55 9.44 Favored 'General case' 0 C--O 1.239 0.51 0 CA-C-O 121.159 0.504 . . . . 45.42 110.987 -179.044 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . 0.417 ' HA ' ' O ' ' A' ' 97' ' ' VAL . 13.7 t -118.34 113.91 43.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.654 -0.703 . . . . 75.02 110.965 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . 0.509 ' HB2' ' HA ' ' A' ' 98' ' ' GLU . 11.2 mmt180 -75.18 103.66 5.44 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.052 -0.721 . . . . 72.41 109.052 175.581 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.43 HD23 ' HA ' ' A' ' 136' ' ' LEU . 31.2 mt -77.2 108.64 10.45 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.087 0.47 . . . . 50.04 110.107 177.092 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . 0.55 ' O ' ' HA ' ' A' ' 100' ' ' ARG . 0.1 OUTLIER -119.94 117.1 52.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.33 -0.85 . . . . 74.42 109.658 -179.32 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . 0.465 HG12 HG21 ' A' ' 115' ' ' VAL . 2.5 m -88.61 138.87 18.32 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 115.598 -0.728 . . . . 53.11 109.818 -177.272 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.316 -0.849 0 CA-C-N 115.918 -0.583 . . . . 73.13 110.808 -177.903 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . 0.481 ' SD ' ' HB2' ' A' ' 96' ' ' ASP . 28.3 ptm . . . . . 0 C--O 1.234 0.263 0 CA-C-O 120.841 0.353 . . . . 72.42 110.733 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 2' ' ' ASN . . . . . 0.428 ' O ' ' HD2' ' A' ' 87' ' ' PRO . 43.8 t30 -95.74 85.66 4.19 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.713 -0.676 . . . . 61.35 109.799 -179.092 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . 0.457 HG21 ' HB2' ' B' ' 6' ' ' LYS . 33.0 mm -71.56 120.79 20.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 116.004 -0.544 . . . . 72.42 111.656 179.378 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.503 ' HG ' ' HD3' ' A' ' 87' ' ' PRO . 90.5 mt -82.73 -45.27 14.63 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.288 -0.869 . . . . 75.25 110.092 177.035 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 5' ' ' TYR . . . . . . . . . . . . . 51.9 t80 -135.51 131.4 36.0 Favored 'General case' 0 C--O 1.223 -0.301 0 CA-C-N 116.097 -0.502 . . . . 75.45 110.459 -178.202 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . 0.457 ' HB2' HG21 ' B' ' 3' ' ' ILE . 38.7 ttmt -136.73 143.02 43.1 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.09 -0.504 . . . . 65.01 110.488 178.811 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 15.0 t -147.92 153.05 38.57 Favored 'General case' 0 C--O 1.236 0.376 0 N-CA-C 109.095 -0.706 . . . . 72.52 109.095 179.49 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . 0.469 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . . . -120.41 145.9 46.73 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 121.291 0.567 . . . . 64.22 112.233 -172.691 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . 0.641 ' HA ' ' H ' ' B' ' 22' ' ' HIS . . . -130.23 135.6 48.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.669 -0.696 . . . . 31.45 109.889 174.852 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 92.4 m -120.39 122.39 40.65 Favored 'General case' 0 N--CA 1.446 -0.648 0 N-CA-C 108.992 -0.744 . . . . 64.31 108.992 -173.393 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 49.8 m -124.84 131.4 53.44 Favored 'General case' 0 C--N 1.314 -0.966 0 CA-C-N 116.271 -0.422 . . . . 74.14 111.141 -174.628 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 7.3 m -108.29 159.3 16.75 Favored 'General case' 0 C--O 1.239 0.517 0 CA-C-N 116.081 -0.509 . . . . 53.42 110.951 -177.562 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -84.76 75.28 2.38 Favored Glycine 0 N--CA 1.445 -0.741 0 CA-C-N 115.861 -0.609 . . . . 71.12 111.857 175.546 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -69.49 -145.21 0.2 Allowed Glycine 0 C--N 1.336 0.54 0 C-N-CA 121.307 -0.473 . . . . 73.4 112.379 176.209 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . 0.511 ' HG3' ' HB2' ' B' ' 41' ' ' ALA . 7.2 tpp180 -51.88 -52.96 46.04 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 116.809 0.304 . . . . 65.14 110.668 178.753 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 16' ' ' ASP . . . . . 0.481 ' HB3' ' HA ' ' B' ' 31' ' ' SER . 9.0 t70 -125.75 -42.97 1.89 Allowed 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 108.743 -0.836 . . . . 65.33 108.743 172.51 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 17' ' ' GLY . . . . . 0.417 ' O ' ' HG3' ' B' ' 29' ' ' LYS . . . -166.57 159.47 32.8 Favored Glycine 0 C--N 1.342 0.887 0 N-CA-C 111.199 -0.76 . . . . 74.22 111.199 165.287 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 18' ' ' ARG . . . . . 0.572 ' HA ' ' HA ' ' B' ' 29' ' ' LYS . 4.4 tmm_? -140.66 118.81 11.98 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 117.322 0.561 . . . . 74.4 109.893 178.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -111.52 124.03 51.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.466 -0.334 . . . . 64.21 110.656 -176.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 76.2 m -131.31 112.91 13.18 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.191 -0.458 . . . . 75.11 110.0 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 21' ' ' SER . . . . . 0.606 ' HB3' ' N ' ' B' ' 26' ' ' LEU . 29.2 t -65.25 107.91 1.74 Allowed 'General case' 0 C--O 1.247 0.965 0 N-CA-C 107.655 -1.239 . . . . 74.21 107.655 176.665 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 22' ' ' HIS . . . . . 0.641 ' H ' ' HA ' ' B' ' 9' ' ' ALA . 7.8 t-80 -47.85 -38.02 15.18 Favored 'General case' 0 N--CA 1.467 0.413 0 O-C-N 126.205 2.191 . . . . 73.12 113.082 -166.668 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -80.14 25.73 0.37 Allowed 'General case' 0 C--N 1.317 -0.832 0 CA-C-O 121.148 0.499 . . . . 63.54 110.901 -176.262 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 24' ' ' GLN . . . . . 0.413 ' H ' ' C ' ' B' ' 22' ' ' HIS . 26.6 mm-40 69.6 21.41 6.67 Favored 'General case' 0 CA--C 1.519 -0.227 0 CA-C-N 115.2 -0.909 . . . . 71.43 110.358 173.427 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . 0.552 ' HB2' ' OG ' ' B' ' 21' ' ' SER . 18.2 mmtm -86.88 -24.82 24.74 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.135 -0.939 . . . . 41.25 111.297 -179.413 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . 0.606 ' N ' ' HB3' ' B' ' 21' ' ' SER . 31.8 tp -156.44 152.04 26.97 Favored 'General case' 0 CA--C 1.505 -0.767 0 C-N-CA 119.902 -0.719 . . . . 71.52 111.679 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -159.8 94.15 1.12 Allowed 'General case' 0 N--CA 1.447 -0.601 0 CA-C-N 115.34 -0.845 . . . . 53.33 110.32 -179.321 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 4.6 m -144.25 177.74 1.96 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.405 0 CA-C-O 121.553 0.692 . . . . 74.12 111.898 179.287 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.572 ' HA ' ' HA ' ' B' ' 18' ' ' ARG . 24.7 ttmt -123.98 140.91 52.51 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 114.849 -1.069 . . . . 64.31 109.813 178.83 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . 0.742 ' HA ' ' H ' ' B' ' 44' ' ' THR . 0.0 OUTLIER -126.12 169.92 12.31 Favored 'General case' 0 C--O 1.253 1.26 0 CA-C-N 116.258 -0.428 . . . . 72.32 109.968 177.924 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 31' ' ' SER . . . . . 0.481 ' HA ' ' HB3' ' B' ' 16' ' ' ASP . 21.8 m -159.02 134.52 8.57 Favored 'General case' 0 N--CA 1.446 -0.657 0 CA-C-N 115.634 -0.712 . . . . 62.35 111.914 -174.058 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 32' ' ' ALA . . . . . 0.41 ' O ' ' N ' ' B' ' 34' ' ' ARG . . . -90.61 93.73 0.55 Allowed Pre-proline 0 N--CA 1.444 -0.728 0 N-CA-C 107.037 -1.468 . . . . 75.13 107.037 162.364 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 33' ' ' PRO . . . . . 0.512 ' O ' ' HG2' ' B' ' 35' ' ' GLU . 56.4 Cg_endo -66.27 65.18 0.49 Allowed 'Trans proline' 0 C--N 1.354 0.852 0 C-N-CA 123.357 2.705 . . . . 71.3 113.112 -167.31 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 34' ' ' ARG . . . . . 0.505 ' O ' ' N ' ' B' ' 36' ' ' LEU . 19.2 mmt180 50.48 -96.73 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.849 -0.614 . . . . 71.43 111.47 -176.176 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . 0.512 ' HG2' ' O ' ' B' ' 33' ' ' PRO . 12.9 mm-40 50.07 -74.55 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 O-C-N 124.203 0.939 . . . . 72.42 112.588 -177.506 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.677 ' HG ' HD12 ' B' ' 85' ' ' ILE . 1.3 mm? -85.63 -36.05 20.57 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.827 -0.805 . . . . 63.52 108.827 -175.5 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 152.29 39.38 0.03 OUTLIER Glycine 0 N--CA 1.448 -0.555 0 CA-C-N 114.668 -1.151 . . . . 51.22 111.489 -179.538 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . 0.424 ' H ' ' HA ' ' B' ' 34' ' ' ARG . . . -77.65 -128.0 0.4 Allowed Glycine 0 C--N 1.336 0.532 0 C-N-CA 120.491 -0.861 . . . . 64.12 111.742 -178.382 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 39' ' ' ALA . . . . . 0.478 ' HB3' ' OD1' ' B' ' 16' ' ' ASP . . . -116.01 -47.11 2.79 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.972 -0.381 . . . . 71.25 109.972 176.466 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 114.18 103.06 2.51 Favored Glycine 0 C--N 1.331 0.304 0 C-N-CA 121.103 -0.57 . . . . 53.13 112.489 176.327 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . 0.511 ' HB2' ' HG3' ' B' ' 15' ' ' ARG . . . -168.7 -176.26 2.69 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.88 0.371 . . . . 45.11 111.689 179.197 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -110.98 17.78 20.13 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 116.066 -0.515 . . . . 74.14 111.624 -174.798 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -79.11 -164.17 27.0 Favored Glycine 0 CA--C 1.52 0.406 0 C-N-CA 121.018 -0.61 . . . . 72.12 112.754 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 44' ' ' THR . . . . . 0.742 ' H ' ' HA ' ' B' ' 30' ' ' LEU . 25.7 m -93.1 136.96 32.88 Favored 'General case' 0 CA--C 1.533 0.315 0 O-C-N 122.859 -0.201 . . . . 35.03 110.827 -175.533 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 13.1 m120 -61.1 119.62 47.1 Favored Pre-proline 0 N--CA 1.466 0.334 0 O-C-N 122.968 0.168 . . . . 71.14 110.984 179.461 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 46' ' ' PRO . . . . . 0.598 ' HB3' ' SG ' ' A' ' 57' ' ' CYS . 72.3 Cg_exo -50.61 -40.17 55.46 Favored 'Trans proline' 0 C--N 1.349 0.57 0 C-N-CA 122.912 2.408 . . . . 54.41 112.051 174.341 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 47' ' ' GLU . . . . . 0.433 ' CD ' ' H ' ' B' ' 47' ' ' GLU . 2.0 mp0 -58.2 -49.75 75.94 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 121.548 0.689 . . . . 73.03 109.179 177.722 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . 0.451 ' OE1' ' HB2' ' A' ' 21' ' ' SER . 1.1 tm0? -62.85 -36.13 82.23 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 114.758 -1.11 . . . . 65.22 109.983 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 49' ' ' LEU . . . . . 0.56 HD12 ' HA3' ' A' ' 53' ' ' GLY . 2.7 tm? -61.43 -54.25 46.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.845 -0.616 . . . . 73.15 110.233 -178.21 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 30.7 t80 -63.2 -41.97 99.24 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 116.759 -0.201 . . . . 74.53 110.474 177.69 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -51.94 -52.99 46.35 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.166 -0.47 . . . . 63.22 110.791 176.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 52' ' ' ALA . . . . . 0.609 ' HB1' ' HB1' ' A' ' 19' ' ' ALA . . . -66.95 -41.7 86.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.713 -0.676 . . . . 74.31 110.877 -178.128 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . 0.414 ' HA3' HD12 ' A' ' 49' ' ' LEU . . . -60.35 -48.42 86.23 Favored Glycine 0 N--CA 1.451 -0.34 0 CA-C-N 115.764 -0.653 . . . . 73.22 112.256 179.084 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -69.98 -36.67 75.37 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 110.162 -0.31 . . . . 73.14 110.162 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 8.7 t -61.4 -49.8 75.42 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.138 0.494 . . . . 71.55 109.924 179.317 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 56' ' ' ALA . . . . . 0.47 ' HB1' HD21 ' A' ' 30' ' ' LEU . . . -69.38 -43.04 74.33 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 115.946 -0.57 . . . . 72.32 110.641 179.594 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 57' ' ' CYS . . . . . 0.909 ' HG ' ' HE2' ' B' ' 124' ' ' TYR . 38.6 t -60.65 -36.26 78.25 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 116.007 -0.542 . . . . 72.4 110.202 179.19 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 58' ' ' PHE . . . . . 0.833 ' HE2' ' HG ' ' B' ' 122' ' ' CYS . 41.0 t80 -65.81 -35.29 80.26 Favored 'General case' 0 N--CA 1.454 -0.268 0 N-CA-C 109.311 -0.626 . . . . 52.32 109.311 179.603 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . 0.595 ' O ' ' HG2' ' B' ' 63' ' ' LYS . 28.8 tp -71.41 -37.42 71.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.329 -0.85 . . . . 64.41 110.116 178.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 43.2 m -63.77 -45.26 90.59 Favored 'General case' 0 C--O 1.24 0.574 0 CA-C-O 121.397 0.618 . . . . 73.23 110.097 174.379 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 61' ' ' ALA . . . . . 0.457 ' O ' HG23 ' B' ' 65' ' ' VAL . . . -59.71 -37.4 78.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.883 -0.598 . . . . 44.1 109.573 174.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 62' ' ' MET . . . . . 0.431 ' HG3' ' CD1' ' B' ' 73' ' ' LEU . 4.5 tpt -62.78 -37.58 87.23 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-N 115.39 -0.823 . . . . 71.0 110.013 176.539 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . 0.595 ' HG2' ' O ' ' B' ' 59' ' ' LEU . 31.5 mmtp -58.64 -52.26 66.45 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-O 121.417 0.627 . . . . 72.03 109.315 174.683 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 61.0 t80 -61.77 -44.62 96.52 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 114.95 -1.023 . . . . 73.11 110.84 -176.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 65' ' ' VAL . . . . . 0.457 HG23 ' O ' ' B' ' 61' ' ' ALA . 54.8 t -55.98 -52.43 49.82 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 116.429 -0.35 . . . . 75.05 110.251 177.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -55.81 -34.03 64.96 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.137 0.494 . . . . 74.13 110.139 177.344 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -70.08 -31.5 69.39 Favored Glycine 0 N--CA 1.451 -0.341 0 CA-C-N 115.281 -0.872 . . . . 75.04 112.534 -176.577 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 68' ' ' GLN . . . . . 0.406 ' HG3' HD22 ' B' ' 69' ' ' ASN . 11.8 pt20 -94.5 -16.94 22.89 Favored 'General case' 0 CA--C 1.522 -0.12 0 N-CA-C 109.286 -0.635 . . . . 64.5 109.286 -179.01 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 69' ' ' ASN . . . . . 0.406 HD22 ' HG3' ' B' ' 68' ' ' GLN . 0.9 OUTLIER -89.56 -1.89 58.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.183 -0.917 . . . . 65.21 110.541 177.711 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 10.6 mptt 61.98 24.3 14.44 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-N 115.927 -0.579 . . . . 73.12 111.462 177.824 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -115.12 163.37 15.72 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.698 -0.683 . . . . 74.24 110.017 178.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 24.4 p -125.96 136.62 53.22 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.357 -0.383 . . . . 74.12 110.432 -179.727 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 73' ' ' LEU . . . . . 0.431 ' CD1' ' HG3' ' B' ' 62' ' ' MET . 93.5 mt -109.36 144.97 30.88 Favored Pre-proline 0 C--N 1.326 -0.427 0 CA-C-N 115.943 -0.572 . . . . 75.15 110.312 -177.742 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 74' ' ' PRO . . . . . 0.547 ' HD2' HD11 ' B' ' 103' ' ' LEU . 39.9 Cg_exo -58.65 149.08 78.81 Favored 'Trans proline' 0 C--N 1.349 0.583 0 C-N-CA 122.794 2.329 . . . . 62.01 112.812 -179.51 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -76.24 -23.28 54.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.588 0.709 . . . . 71.53 110.818 178.532 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -80.9 19.01 0.9 Allowed 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 114.767 -1.106 . . . . 60.22 111.487 -172.791 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 77' ' ' THR . . . . . 0.42 ' HB ' HD12 ' B' ' 103' ' ' LEU . 8.8 t -92.86 157.54 16.33 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.058 0.456 . . . . 73.25 111.207 -176.696 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 57.6 m -152.95 151.02 29.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.898 -0.592 . . . . 71.23 110.266 -179.271 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 94.4 t -124.41 122.41 63.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 N-CA-C 109.032 -0.729 . . . . 54.24 109.032 175.083 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 80' ' ' THR . . . . . 0.561 ' HA ' ' HA ' ' A' ' 10' ' ' THR . 19.0 m -106.52 106.78 17.47 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-O 120.891 0.377 . . . . 72.42 111.118 -175.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -93.16 115.09 27.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.994 -0.548 . . . . 73.43 110.226 179.541 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 82' ' ' GLU . . . . . 0.448 ' HA ' ' HA ' ' A' ' 8' ' ' ALA . 36.1 tt0 -116.34 108.49 16.14 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.013 -0.736 . . . . 71.23 109.013 178.687 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . 0.493 HG12 HG13 ' B' ' 97' ' ' VAL . 23.7 m -107.41 150.73 9.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.163 -0.471 . . . . 71.44 110.942 -173.569 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 84' ' ' GLY . . . . . 0.442 ' HA2' ' HA ' ' A' ' 6' ' ' LYS . . . -143.04 164.86 27.11 Favored Glycine 0 N--CA 1.443 -0.874 0 CA-C-N 116.066 -0.516 . . . . 52.45 112.039 -179.416 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 85' ' ' ILE . . . . . 0.677 HD12 ' HG ' ' B' ' 36' ' ' LEU . 0.0 OUTLIER -136.3 130.91 48.19 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.778 0 N-CA-C 108.751 -0.833 . . . . 73.1 108.751 179.619 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 86' ' ' GLY . . . . . 0.405 ' HA2' ' HG ' ' A' ' 4' ' ' LEU . . . -141.54 169.72 25.04 Favored Glycine 0 N--CA 1.451 -0.324 0 CA-C-N 115.342 -0.844 . . . . 52.3 111.296 179.777 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 87' ' ' PRO . . . . . 0.701 ' HD3' ' HG ' ' A' ' 4' ' ' LEU . 3.4 Cg_exo -78.28 122.0 5.49 Favored 'Trans proline' 0 N--CA 1.457 -0.665 0 C-N-CA 122.759 2.306 . . . . 61.3 111.912 -177.786 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 88' ' ' ASN . . . . . . . . . . . . . 56.9 t-20 -69.14 136.7 52.57 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 108.532 -0.914 . . . . 72.3 108.532 174.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -61.95 -16.98 55.24 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.897 0.38 . . . . 65.22 111.198 -179.036 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -67.42 -20.63 65.55 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-O 121.475 0.655 . . . . 74.05 110.674 174.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.38 35.2 3.41 Favored Glycine 0 N--CA 1.453 -0.176 0 CA-C-N 115.628 -0.714 . . . . 72.2 111.75 -177.727 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . -140.67 -148.43 5.12 Favored Glycine 0 N--CA 1.452 -0.299 0 N-CA-C 110.789 -0.924 . . . . 70.13 110.789 177.715 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 93' ' ' PHE . . . . . 0.405 ' CD2' HD11 ' B' ' 85' ' ' ILE . 60.6 m-85 -118.82 154.74 32.37 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 117.081 0.441 . . . . 73.12 110.194 178.015 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -141.14 136.17 31.6 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.913 -0.585 . . . . 62.21 109.876 -178.117 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -99.95 132.47 45.28 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.154 -0.476 . . . . 74.21 110.844 -178.063 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 96' ' ' ASP . . . . . 0.5 ' HB3' HD11 ' A' ' 3' ' ' ILE . 31.3 t70 -119.09 115.88 25.2 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.131 -0.94 . . . . 73.53 109.509 179.354 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 97' ' ' VAL . . . . . 0.613 ' HB ' HG22 ' B' ' 134' ' ' VAL . 61.3 t -113.68 111.65 36.95 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-N 116.342 -0.39 . . . . 65.34 110.664 -176.196 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 98' ' ' GLU . . . . . 0.441 ' HG2' ' HB3' ' B' ' 135' ' ' ARG . 34.0 mt-10 -104.39 106.44 16.93 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.993 0.425 . . . . 74.42 109.975 178.575 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 96.3 mt -93.94 116.65 29.11 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 115.849 -0.614 . . . . 61.12 110.389 -177.42 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 100' ' ' ARG . . . . . 0.568 ' HA ' ' O ' ' B' ' 137' ' ' VAL . 79.7 mtt180 -99.45 129.38 45.63 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.108 -0.496 . . . . 64.11 110.128 -178.874 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 101' ' ' VAL . . . . . 0.453 HG21 HG22 ' B' ' 115' ' ' VAL . 73.0 t -110.31 111.32 35.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.415 -0.357 . . . . 60.12 110.927 -178.327 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -111.4 101.64 10.08 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.859 0.361 . . . . 53.32 110.395 177.509 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 103' ' ' LEU . . . . . 0.764 HD23 HD22 ' B' ' 106' ' ' LEU . 34.6 tp -114.47 119.19 40.4 Favored Pre-proline 0 C--N 1.328 -0.366 0 N-CA-C 109.024 -0.732 . . . . 72.24 109.024 177.403 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 104' ' ' PRO . . . . . 0.551 ' HD2' HD12 ' B' ' 103' ' ' LEU . 50.5 Cg_endo -70.78 147.98 57.45 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.552 2.168 . . . . 74.24 112.354 -177.369 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 105' ' ' GLY . . . . . . . . . . . . . . . 72.08 15.45 76.51 Favored Glycine 0 CA--C 1.521 0.418 0 CA-C-N 115.585 -0.734 . . . . 72.34 112.418 -178.475 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 106' ' ' LEU . . . . . 0.764 HD22 HD23 ' B' ' 103' ' ' LEU . 27.1 tp -121.49 146.68 46.68 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 122.787 0.435 . . . . 60.53 111.087 -177.105 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -91.46 148.97 21.92 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 115.909 -0.587 . . . . 63.12 110.745 173.632 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 108' ' ' ALA . . . . . 0.521 ' O ' ' HG3' ' B' ' 112' ' ' LYS . . . -63.35 -39.67 95.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 34.32 110.819 -178.362 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -55.62 -45.11 77.6 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 116.156 -0.474 . . . . 64.51 111.109 -179.233 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 110' ' ' ALA . . . . . 0.561 ' O ' HG22 ' B' ' 113' ' ' THR . . . -73.96 -39.23 63.86 Favored 'General case' 0 C--O 1.239 0.537 0 CA-C-O 121.316 0.579 . . . . 72.03 110.229 177.155 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 111' ' ' ALA . . . . . 0.453 ' O ' HG23 ' B' ' 115' ' ' VAL . . . -54.7 -36.38 64.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.584 -0.734 . . . . 64.14 110.675 179.155 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 112' ' ' LYS . . . . . 0.521 ' HG3' ' O ' ' B' ' 108' ' ' ALA . 62.6 mtpt -56.09 -44.19 78.75 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 115.874 -0.603 . . . . 74.45 111.284 178.77 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 113' ' ' THR . . . . . 0.561 HG22 ' O ' ' B' ' 110' ' ' ALA . 1.6 t -75.35 -35.7 61.11 Favored 'General case' 0 N--CA 1.462 0.162 0 N-CA-C 110.225 -0.287 . . . . 72.03 110.225 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 114' ' ' LEU . . . . . 0.453 ' HG ' ' O ' ' B' ' 110' ' ' ALA . 45.4 mt -61.11 -48.84 79.81 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.238 -0.437 . . . . 70.23 110.774 -179.81 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 115' ' ' VAL . . . . . 0.584 HG21 HG12 ' B' ' 138' ' ' VAL . 54.5 t -68.08 -36.14 74.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.192 -0.458 . . . . 63.55 110.415 179.585 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -55.8 -55.06 36.95 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-N 115.647 -0.706 . . . . 75.43 110.553 178.561 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 117' ' ' ARG . . . . . 0.482 ' HG2' ' O ' ' B' ' 113' ' ' THR . 15.8 ptm180 -70.72 -43.21 69.4 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 115.196 -0.911 . . . . 70.2 111.451 -176.549 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -64.67 -47.74 77.32 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 121.062 0.458 . . . . 61.11 111.273 -176.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 119' ' ' HIS . . . . . 0.665 ' HA ' ' SG ' ' B' ' 122' ' ' CYS . 40.8 t60 -78.81 13.66 1.62 Allowed 'General case' 0 CA--C 1.533 0.324 0 CA-C-O 120.999 0.428 . . . . 74.31 110.884 -176.476 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 51.5 t-80 -97.68 -22.38 16.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.573 -0.285 . . . . 61.52 110.546 177.193 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 16.8 m -128.78 40.1 0.82 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.419 0 CA-C-N 116.22 -0.446 . . . . 63.42 110.977 -175.633 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 122' ' ' CYS . . . . . 0.833 ' HG ' ' HE2' ' B' ' 58' ' ' PHE . 35.5 m -65.23 152.86 90.82 Favored Pre-proline 0 CA--C 1.535 0.37 0 CA-C-N 115.601 -0.727 . . . . 74.53 111.369 -177.4 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 123' ' ' PRO . . . . . 0.405 ' HG2' ' HD2' ' B' ' 124' ' ' TYR . 17.1 Cg_endo -58.87 -42.71 49.92 Favored 'Trans proline' 0 C--N 1.355 0.88 0 C-N-CA 122.319 2.013 . . . . 65.25 110.379 171.547 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 124' ' ' TYR . . . . . 0.909 ' HE2' ' HG ' ' B' ' 57' ' ' CYS . 3.8 m-85 . . . . . 0 C--N 1.331 -0.229 0 N-CA-C 106.714 -1.587 . . . . 65.35 106.714 169.564 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 128' ' ' THR . . . . . 0.401 ' O ' HG21 ' B' ' 134' ' ' VAL . 7.5 t . . . . . 0 N--CA 1.449 -0.482 0 N-CA-C 108.555 -0.905 . . . . 55.14 108.555 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 129' ' ' ARG . . . . . 0.417 ' HD2' ' O ' ' B' ' 119' ' ' HIS . 15.8 ptm180 -130.76 -47.46 1.04 Allowed 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 115.306 -0.861 . . . . 75.21 112.054 -177.388 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 130' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -78.38 -50.15 12.26 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-O 121.117 0.484 . . . . 74.14 111.001 177.34 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 131' ' ' ASN . . . . . . . . . . . . . 48.0 t-20 -69.44 -43.8 72.58 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 115.384 -0.825 . . . . 75.43 110.407 -176.451 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 132' ' ' VAL . . . . . . . . . . . . . 41.8 t -99.23 131.43 46.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.767 -0.652 . . . . 52.13 110.039 179.446 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 133' ' ' ALA . . . . . . . . . . . . . . . -65.62 97.57 0.32 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.286 0.565 . . . . 72.23 110.627 -179.802 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 134' ' ' VAL . . . . . 0.613 HG22 ' HB ' ' B' ' 97' ' ' VAL . 94.6 t -123.61 118.35 54.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.425 -0.807 . . . . 61.1 110.77 -179.089 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 135' ' ' ARG . . . . . 0.441 ' HB3' ' HG2' ' B' ' 98' ' ' GLU . 18.5 tpp180 -86.2 119.28 26.31 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.771 -0.65 . . . . 74.32 109.485 176.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 136' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' B' ' 136' ' ' LEU . 68.2 mt -91.0 108.22 19.72 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-O 121.238 0.542 . . . . 72.41 110.136 176.029 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 137' ' ' VAL . . . . . 0.568 ' O ' ' HA ' ' B' ' 100' ' ' ARG . 0.2 OUTLIER -118.11 116.58 51.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-N 115.12 -0.945 . . . . 72.22 110.624 -176.621 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 138' ' ' VAL . . . . . 0.584 HG12 HG21 ' B' ' 115' ' ' VAL . 3.1 m -96.66 138.67 21.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.406 -0.815 . . . . 70.52 110.015 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 139' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.234 0 CA-C-O 118.405 -0.807 . . . . 71.35 110.861 -177.379 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.414 ' HE1' ' HB3' ' B' ' 94' ' ' ALA . 12.9 ptt? . . . . . 0 N--CA 1.482 1.128 0 CA-C-O 120.763 0.316 . . . . 71.43 110.874 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 42.8 t30 -71.61 79.0 0.81 Allowed 'General case' 0 CA--C 1.531 0.219 0 CA-C-N 115.894 -0.594 . . . . 75.52 110.681 177.671 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.519 HG21 ' HB2' ' A' ' 6' ' ' LYS . 34.2 mm -75.55 137.57 22.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.732 -0.667 . . . . 51.02 111.478 175.739 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.678 ' HG ' ' HD3' ' B' ' 87' ' ' PRO . 76.3 mt -96.26 -45.72 6.72 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.591 -0.731 . . . . 74.21 110.238 174.786 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 16.6 t80 -131.95 125.37 31.44 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 116.25 -0.432 . . . . 54.43 109.893 -177.805 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.519 ' HB2' HG21 ' A' ' 3' ' ' ILE . 32.0 ttmt -137.28 133.36 34.92 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 121.005 0.431 . . . . 62.42 111.258 177.781 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 7.7 t -134.78 148.63 50.27 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-N 115.708 -0.678 . . . . 73.02 109.867 -179.44 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.525 ' HA ' ' HA ' ' B' ' 82' ' ' GLU . . . -114.02 150.53 33.77 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-O 121.096 0.475 . . . . 64.34 111.277 -177.189 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.414 ' HA ' ' HA ' ' A' ' 21' ' ' SER . . . -135.45 121.3 19.76 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.931 -0.577 . . . . 65.14 110.001 175.608 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 88.3 m -98.21 128.07 44.48 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.895 -0.593 . . . . 73.43 110.095 -176.543 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.583 ' HA ' ' O ' ' A' ' 18' ' ' ARG . 97.3 p -112.11 120.62 42.45 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.846 0.355 . . . . 71.32 110.93 178.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 6.1 m -99.55 162.67 12.89 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.417 -0.356 . . . . 72.12 110.398 179.68 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -83.73 74.39 2.52 Favored Glycine 0 CA--C 1.52 0.402 0 C-N-CA 121.067 -0.587 . . . . 62.44 112.637 176.721 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -72.75 -145.54 0.64 Allowed Glycine 0 CA--C 1.525 0.657 0 C-N-CA 121.19 -0.528 . . . . 62.02 112.859 173.387 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 13.8 tpt180 -48.48 -52.27 23.11 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-O 121.002 0.43 . . . . 73.04 110.131 178.004 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.597 ' HB3' ' HA ' ' A' ' 31' ' ' SER . 21.5 t70 -125.52 -42.46 1.95 Allowed 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.006 -1.109 . . . . 74.22 108.006 168.282 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -161.36 162.66 33.98 Favored Glycine 0 N--CA 1.441 -0.98 0 CA-C-N 114.815 -1.084 . . . . 73.12 111.071 171.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.613 ' HA ' ' HA ' ' A' ' 29' ' ' LYS . 4.3 ttm180 -133.56 124.4 26.84 Favored 'General case' 0 C--N 1.315 -0.894 0 N-CA-C 108.783 -0.821 . . . . 73.24 108.783 177.192 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -111.23 123.69 50.71 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.879 0.371 . . . . 71.12 110.146 -176.425 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 92.8 m -136.75 111.56 8.8 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.477 -0.329 . . . . 63.53 110.143 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.543 ' HB3' ' N ' ' A' ' 26' ' ' LEU . 29.8 t -67.03 109.14 2.88 Favored 'General case' 0 C--O 1.246 0.9 0 N-CA-C 107.229 -1.397 . . . . 62.3 107.229 176.186 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.413 ' C ' ' H ' ' A' ' 24' ' ' GLN . 11.1 t60 -56.88 -24.53 52.43 Favored 'General case' 0 CA--C 1.52 -0.201 0 O-C-N 126.065 2.103 . . . . 71.44 111.87 -164.78 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -80.49 23.13 0.52 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.215 -0.448 . . . . 73.43 110.188 179.482 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.413 ' H ' ' C ' ' A' ' 22' ' ' HIS . 30.8 mm-40 63.67 21.14 12.57 Favored 'General case' 0 C--N 1.341 0.222 0 C-N-CA 123.485 0.714 . . . . 72.53 110.404 178.631 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.717 ' HG3' HE22 ' B' ' 48' ' ' GLN . 73.1 mmtt -83.54 -30.14 27.32 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 115.325 -0.852 . . . . 73.44 110.163 -179.024 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.543 ' N ' ' HB3' ' A' ' 21' ' ' SER . 44.6 tp -151.71 148.93 28.49 Favored 'General case' 0 CA--C 1.508 -0.669 0 C-N-CA 120.378 -0.529 . . . . 74.42 111.447 -178.353 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -158.27 94.95 1.33 Allowed 'General case' 0 N--CA 1.444 -0.746 0 CA-C-N 115.489 -0.778 . . . . 74.13 110.475 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.404 ' O ' ' HG2' ' A' ' 18' ' ' ARG . 3.4 m -146.36 177.96 1.26 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.431 0 CA-C-N 115.567 -0.742 . . . . 62.12 111.253 177.616 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.613 ' HA ' ' HA ' ' A' ' 18' ' ' ARG . 0.7 OUTLIER -133.05 145.36 50.72 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.489 -0.778 . . . . 62.42 109.832 179.112 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.68 ' HB3' ' HB ' ' A' ' 44' ' ' THR . 0.0 OUTLIER -126.83 164.84 20.5 Favored 'General case' 0 C--O 1.249 1.058 0 CA-C-O 121.172 0.511 . . . . 64.12 111.118 -179.473 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.597 ' HA ' ' HB3' ' A' ' 16' ' ' ASP . 20.0 p -169.53 113.94 0.53 Allowed 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 115.063 -0.972 . . . . 75.34 110.746 -172.335 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -69.33 131.7 90.12 Favored Pre-proline 0 C--O 1.238 0.498 0 CA-C-N 115.777 -0.647 . . . . 52.21 110.196 178.093 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_exo -52.01 148.24 24.16 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 122.655 2.237 . . . . 73.33 112.178 177.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 9.5 mmt180 -66.66 -1.48 3.8 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 116.213 -0.449 . . . . 50.12 111.3 179.727 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 32.1 mm-40 -59.12 -32.32 69.74 Favored 'General case' 0 CA--C 1.529 0.153 0 O-C-N 123.23 0.331 . . . . 75.14 111.057 178.375 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.469 HD22 ' N ' ' A' ' 36' ' ' LEU . 2.1 mm? -100.39 4.2 43.71 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 121.073 0.463 . . . . 63.44 109.953 177.591 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 80.28 34.43 29.39 Favored Glycine 0 N--CA 1.45 -0.376 0 N-CA-C 111.565 -0.614 . . . . 72.22 111.565 -173.065 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -84.4 -113.13 0.64 Allowed Glycine 0 C--N 1.334 0.441 0 C-N-CA 121.253 -0.499 . . . . 73.44 112.787 -177.249 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -106.04 -48.69 3.55 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.958 0.409 . . . . 63.22 110.793 -178.113 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 101.77 80.41 1.48 Allowed Glycine 0 N--CA 1.452 -0.263 0 CA-C-N 115.857 -0.611 . . . . 45.53 111.884 -177.539 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -175.31 163.19 3.03 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 122.782 0.433 . . . . 44.21 109.859 -177.282 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.47 ' HG3' ' N ' ' A' ' 43' ' ' GLY . 17.3 pt-20 -68.99 -47.2 66.14 Favored 'General case' 0 CA--C 1.508 -0.642 0 CA-C-O 122.238 1.018 . . . . 71.23 109.831 177.174 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.47 ' N ' ' HG3' ' A' ' 42' ' ' GLU . . . 23.71 -142.24 0.01 OUTLIER Glycine 0 C--N 1.296 -1.668 0 CA-C-N 111.419 -2.628 . . . . 55.55 114.715 -178.535 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.68 ' HB ' ' HB3' ' A' ' 30' ' ' LEU . 87.6 m -128.81 150.93 50.1 Favored 'General case' 0 N--CA 1.446 -0.634 0 N-CA-C 108.744 -0.836 . . . . 74.01 108.744 171.294 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.425 ' HB2' ' HB3' ' A' ' 48' ' ' GLN . 6.2 m120 -95.14 131.14 30.65 Favored Pre-proline 0 CA--C 1.534 0.349 0 C-N-CA 122.26 0.224 . . . . 72.33 111.042 -177.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 45' ' ' ASN . 52.8 Cg_exo -57.64 -53.72 4.22 Favored 'Trans proline' 0 C--N 1.352 0.715 0 C-N-CA 123.093 2.529 . . . . 63.04 113.155 177.825 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.75 -44.2 97.01 Favored 'General case' 0 N--CA 1.469 0.524 0 N-CA-C 109.876 -0.416 . . . . 62.13 109.876 -179.455 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.607 ' OE1' ' HB2' ' B' ' 21' ' ' SER . 0.7 OUTLIER -53.12 -45.85 68.5 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.686 -0.688 . . . . 72.35 110.608 171.91 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.58 HD12 ' HA3' ' B' ' 53' ' ' GLY . 2.3 tm? -57.26 -50.11 73.93 Favored 'General case' 0 C--O 1.241 0.611 0 CA-C-N 115.643 -0.708 . . . . 71.11 109.36 -175.608 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 84.0 t80 -59.43 -50.7 72.91 Favored 'General case' 0 C--O 1.222 -0.372 0 CA-C-N 115.804 -0.635 . . . . 64.45 110.372 175.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.11 -45.56 75.52 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 116.442 -0.345 . . . . 52.03 111.734 -176.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -68.93 -49.3 59.24 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-O 121.035 0.445 . . . . 51.43 110.946 -177.716 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.62 ' HA3' HD12 ' B' ' 49' ' ' LEU . . . -64.08 -28.65 73.15 Favored Glycine 0 C--N 1.332 0.338 0 C-N-CA 120.538 -0.839 . . . . 45.35 111.808 178.504 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.777 ' HA ' ' SG ' ' A' ' 57' ' ' CYS . 1.4 t80 -74.85 -47.88 27.96 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 123.221 0.608 . . . . 71.4 110.444 179.589 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.586 ' HB3' ' HB2' ' A' ' 81' ' ' ALA . 45.7 p -62.06 -36.79 82.7 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.196 0.522 . . . . 50.31 109.82 178.407 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.563 ' HB1' HD21 ' B' ' 30' ' ' LEU . . . -69.83 -49.33 53.64 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-N 115.629 -0.714 . . . . 72.41 111.101 177.475 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.777 ' SG ' ' HA ' ' A' ' 54' ' ' TYR . 21.1 p -61.84 -35.96 79.8 Favored 'General case' 0 C--O 1.223 -0.32 0 N-CA-C 110.042 -0.355 . . . . 74.4 110.042 179.477 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 48.7 t80 -52.61 -44.29 65.92 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 115.823 -0.626 . . . . 64.12 109.621 177.308 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.537 HD21 HG23 ' A' ' 79' ' ' VAL . 94.2 mt -64.77 -46.74 80.85 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.394 -0.821 . . . . 74.12 110.524 176.548 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 35.0 t -55.17 -51.45 66.47 Favored 'General case' 0 C--O 1.238 0.495 0 CA-C-O 121.347 0.594 . . . . 74.4 110.437 179.244 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.424 ' O ' HG23 ' A' ' 65' ' ' VAL . . . -58.92 -39.61 82.07 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.722 -0.672 . . . . 64.15 110.1 177.461 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 2.9 tpt -60.51 -38.24 83.72 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-N 115.989 -0.55 . . . . 61.32 110.387 177.203 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.532 ' NZ ' ' HA ' ' B' ' 16' ' ' ASP . 2.4 mptm? -61.61 -51.91 66.54 Favored 'General case' 0 N--CA 1.468 0.434 0 N-CA-C 109.888 -0.412 . . . . 62.32 109.888 175.373 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 53.7 t80 -58.79 -44.86 90.82 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 115.905 -0.589 . . . . 70.35 110.738 -178.716 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.424 HG23 ' O ' ' A' ' 61' ' ' ALA . 54.9 t -56.83 -49.7 77.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.164 -0.471 . . . . 51.41 110.172 177.421 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -57.92 -32.65 67.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.073 0.463 . . . . 55.45 110.48 177.825 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -68.59 -32.22 74.55 Favored Glycine 0 N--CA 1.451 -0.332 0 CA-C-N 115.23 -0.896 . . . . 65.01 111.929 -177.326 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -97.96 -13.13 21.31 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.46 -0.57 . . . . 73.33 109.46 -179.386 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -95.4 -0.8 52.12 Favored 'General case' 0 CA--C 1.517 -0.306 0 CA-C-N 115.351 -0.841 . . . . 73.35 110.909 176.832 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 23.1 mmtm 61.3 24.54 14.63 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.455 -0.793 . . . . 70.5 111.118 171.722 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.603 HE22 HD21 ' A' ' 73' ' ' LEU . 1.1 pt20 -116.6 163.98 15.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.3 -0.409 . . . . 65.11 110.542 -176.628 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 29.8 p -110.84 134.31 52.64 Favored 'General case' 0 C--O 1.237 0.422 0 CA-C-O 121.159 0.504 . . . . 71.13 111.89 -174.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.603 HD21 HE22 ' A' ' 71' ' ' GLN . 71.0 mt -109.58 140.4 22.1 Favored Pre-proline 0 C--N 1.327 -0.383 0 CA-C-N 115.53 -0.759 . . . . 63.13 110.429 176.674 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.547 ' HD2' HD11 ' A' ' 103' ' ' LEU . 23.3 Cg_exo -66.3 132.65 30.15 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.365 2.044 . . . . 75.32 111.21 173.451 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -77.03 -8.44 57.43 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 112.246 0.461 . . . . 74.43 112.246 -175.796 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -90.56 11.98 20.23 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.25 0.548 . . . . 72.44 111.276 -177.429 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.515 ' HB ' HD12 ' A' ' 103' ' ' LEU . 8.3 t -73.58 160.62 31.37 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.011 -0.54 . . . . 73.42 111.514 -178.349 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.551 HG22 ' HA ' ' B' ' 12' ' ' THR . 1.3 p -151.75 150.17 29.88 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.626 -0.716 . . . . 65.01 111.245 -174.815 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.537 HG23 HD21 ' A' ' 59' ' ' LEU . 97.8 t -133.54 135.08 56.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.679 -0.691 . . . . 73.54 109.185 174.885 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 25.5 m -117.88 109.42 16.51 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.682 0.277 . . . . 61.0 110.472 179.58 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.586 ' HB2' ' HB3' ' A' ' 55' ' ' SER . . . -94.73 108.95 20.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 75.0 109.919 178.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.442 ' HA ' ' HA ' ' B' ' 8' ' ' ALA . 24.6 tt0 -105.9 107.67 18.79 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.134 -0.691 . . . . 74.0 109.134 178.712 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.68 HG23 HG22 ' A' ' 97' ' ' VAL . 6.0 p -107.51 137.46 38.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.971 -0.559 . . . . 74.25 111.165 -172.272 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.447 ' HA2' ' HA ' ' B' ' 6' ' ' LYS . . . -134.02 162.2 24.46 Favored Glycine 0 N--CA 1.445 -0.754 0 C-N-CA 121.174 -0.536 . . . . 64.22 112.465 178.353 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -133.44 134.13 57.17 Favored 'Isoleucine or valine' 0 C--O 1.24 0.601 0 N-CA-C 109.132 -0.692 . . . . 71.32 109.132 179.155 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -155.35 169.85 33.33 Favored Glycine 0 N--CA 1.452 -0.27 0 N-CA-C 111.119 -0.792 . . . . 64.2 111.119 178.654 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.478 ' HD3' ' HG ' ' B' ' 4' ' ' LEU . 51.8 Cg_endo -71.08 132.61 21.54 Favored 'Trans proline' 0 N--CA 1.459 -0.542 0 C-N-CA 122.034 1.822 . . . . 75.13 111.518 177.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . 0.454 ' HB2' ' HB2' ' A' ' 94' ' ' ALA . 51.9 t30 -78.82 158.74 28.1 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.452 -0.794 . . . . 63.43 109.618 -179.467 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -59.38 -25.25 64.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.038 0.447 . . . . 74.31 110.824 178.632 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -70.0 -22.36 63.13 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 115.821 -0.627 . . . . 62.35 111.003 177.052 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.54 3.43 43.64 Favored Glycine 0 CA--C 1.519 0.322 0 CA-C-N 115.898 -0.592 . . . . 52.42 112.489 -177.172 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -97.23 -148.96 24.81 Favored Glycine 0 C--N 1.332 0.359 0 N-CA-C 111.176 -0.77 . . . . 74.12 111.176 174.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 55.1 m-85 -111.19 160.48 16.9 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-N 117.07 0.435 . . . . 72.25 109.921 176.343 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.454 ' HB2' ' HB2' ' A' ' 88' ' ' ASN . . . -152.86 145.22 24.02 Favored 'General case' 0 C--O 1.238 0.448 0 CA-C-O 120.703 0.287 . . . . 73.43 110.881 -177.315 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -103.5 138.46 40.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.619 -0.719 . . . . 75.45 110.105 178.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.627 ' HB3' HD11 ' B' ' 3' ' ' ILE . 35.5 t70 -133.82 110.61 9.88 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.364 -0.835 . . . . 62.1 109.114 -177.236 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.68 HG22 HG23 ' A' ' 83' ' ' VAL . 22.7 t -122.27 110.81 28.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 N-CA-C 112.216 0.451 . . . . 41.42 112.216 -171.698 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -79.22 103.09 8.91 Favored 'General case' 0 C--O 1.236 0.346 0 N-CA-C 109.01 -0.737 . . . . 51.52 109.01 170.617 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 21.3 tp -94.08 107.0 18.96 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.243 -0.651 . . . . 73.33 109.243 -179.806 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.587 ' HA ' ' O ' ' A' ' 137' ' ' VAL . 58.6 mtt180 -99.59 118.99 37.35 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.834 -0.621 . . . . 73.43 110.354 -174.357 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 48.5 t -107.72 105.31 18.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 N-CA-C 110.258 -0.275 . . . . 72.23 110.258 -177.785 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -106.5 101.63 11.08 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.941 0.4 . . . . 73.1 110.889 -178.669 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.725 HD23 HD22 ' A' ' 106' ' ' LEU . 37.4 tp -109.74 123.18 37.06 Favored Pre-proline 0 C--N 1.327 -0.371 0 N-CA-C 108.943 -0.762 . . . . 73.31 108.943 177.654 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . 0.559 ' HD2' HD12 ' A' ' 103' ' ' LEU . 57.3 Cg_endo -71.19 146.84 52.47 Favored 'Trans proline' 0 N--CA 1.461 -0.441 0 C-N-CA 122.266 1.978 . . . . 73.52 112.209 -177.3 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 69.03 14.91 68.88 Favored Glycine 0 CA--C 1.519 0.31 0 CA-C-N 115.304 -0.862 . . . . 54.45 112.73 -178.019 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.725 HD22 HD23 ' A' ' 103' ' ' LEU . 33.3 tp -114.15 141.68 47.2 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-O 121.172 0.51 . . . . 65.03 111.24 -178.346 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 33.9 m-20 -84.27 146.44 27.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.517 -0.765 . . . . 72.42 110.486 172.678 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.446 ' O ' ' HG3' ' A' ' 112' ' ' LYS . . . -63.47 -35.16 79.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.982 0.42 . . . . 74.35 110.491 178.385 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -56.89 -49.78 74.5 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.865 -0.607 . . . . 64.13 110.826 179.257 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 0.514 ' O ' HG22 ' A' ' 113' ' ' THR . . . -73.45 -35.09 65.7 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-O 121.168 0.508 . . . . 73.25 110.162 177.798 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -55.08 -36.21 65.38 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.684 -0.689 . . . . 54.13 110.682 178.549 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . 0.446 ' HG3' ' O ' ' A' ' 108' ' ' ALA . 98.7 mttt -53.71 -43.87 69.37 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 116.114 -0.494 . . . . 74.23 111.221 177.531 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . 0.514 HG22 ' O ' ' A' ' 110' ' ' ALA . 1.2 t -80.11 -35.3 37.02 Favored 'General case' 0 CA--C 1.529 0.141 0 CA-C-O 120.643 0.259 . . . . 74.22 110.309 -177.435 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 44.1 mt -64.48 -45.45 87.28 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-O 120.852 0.358 . . . . 61.01 110.353 -179.64 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.524 HG21 HG12 ' A' ' 138' ' ' VAL . 92.3 t -68.01 -32.7 57.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.99 -0.55 . . . . 72.22 110.054 176.79 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . 0.439 ' HA ' ' CE1' ' A' ' 119' ' ' HIS . 13.4 t70 -58.55 -61.49 2.55 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.449 -0.341 . . . . 63.5 110.514 177.548 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . 0.446 ' HG2' ' O ' ' A' ' 113' ' ' THR . 15.5 ptm180 -61.18 -41.38 96.69 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-N 115.524 -0.762 . . . . 65.24 110.759 -178.594 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -59.54 -41.78 90.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.998 -0.546 . . . . 63.41 111.1 179.013 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . 0.558 ' HB2' ' HB2' ' A' ' 125' ' ' SER . 3.0 p-80 -89.54 13.47 13.85 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-O 121.069 0.461 . . . . 74.13 110.861 178.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 54.8 t-80 -108.55 -34.8 6.63 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 116.007 -0.542 . . . . 75.14 110.57 174.314 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.426 HG23 ' SG ' ' A' ' 122' ' ' CYS . 35.3 m -77.36 -32.99 19.23 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.24 0 CA-C-N 116.119 -0.491 . . . . 74.54 112.094 -176.168 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' CYS . . . . . 0.546 ' HB2' ' OG ' ' A' ' 125' ' ' SER . 33.3 m -91.82 131.12 36.38 Favored Pre-proline 0 CA--C 1.535 0.378 0 CA-C-O 120.516 0.198 . . . . 72.12 110.846 -176.12 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -59.86 -37.82 83.64 Favored 'Trans proline' 0 C--N 1.352 0.72 0 C-N-CA 122.412 2.075 . . . . 74.45 111.744 179.536 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' TYR . . . . . 0.416 ' HE1' ' CG ' ' B' ' 50' ' ' PHE . 92.3 m-85 -61.34 -34.19 74.86 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 115.937 -0.574 . . . . 65.44 110.727 179.596 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . 0.558 ' HB2' ' HB2' ' A' ' 119' ' ' HIS . 29.4 p -89.0 -24.59 22.34 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.109 -0.496 . . . . 62.44 111.244 -176.01 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' ASN . . . . . 0.545 ' O ' ' HG2' ' A' ' 129' ' ' ARG . 80.4 m-20 -66.53 -31.63 72.48 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.734 0.778 . . . . 73.42 109.067 168.842 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . 0.488 ' O ' ' HB3' ' A' ' 131' ' ' ASN . . . -71.32 -17.33 62.45 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.03 -0.986 . . . . 54.1 110.979 174.507 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 128' ' ' THR . . . . . 0.604 ' OG1' HG21 ' A' ' 134' ' ' VAL . 0.5 OUTLIER -87.96 -5.88 58.31 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.643 0.735 . . . . 73.21 109.272 -170.088 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . 0.545 ' HG2' ' O ' ' A' ' 126' ' ' ASN . 13.5 ptm180 -119.72 -60.03 1.75 Allowed 'General case' 0 N--CA 1.444 -0.746 0 CA-C-N 115.13 -0.941 . . . . 72.04 110.288 -172.181 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 88.3 m-20 -79.28 -24.69 42.74 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.242 -0.436 . . . . 71.52 111.964 -176.324 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 131' ' ' ASN . . . . . 0.488 ' HB3' ' O ' ' A' ' 127' ' ' ALA . 0.2 OUTLIER -103.93 -42.08 5.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 72.12 110.934 -174.476 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 29.2 t -120.87 158.52 23.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.278 -0.419 . . . . 70.22 110.467 -169.665 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -93.52 97.54 10.59 Favored 'General case' 0 C--O 1.238 0.482 0 CA-C-O 121.692 0.758 . . . . 45.42 110.391 178.568 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . 0.623 HG22 ' HB ' ' A' ' 97' ' ' VAL . 84.9 t -125.62 116.38 46.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.307 -0.861 . . . . 75.02 110.543 -178.171 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . 0.416 HH11 ' HD3' ' A' ' 135' ' ' ARG . 6.6 tpt180 -76.76 105.0 7.57 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 115.726 -0.67 . . . . 72.41 109.697 178.395 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 43.5 mt -75.38 103.37 5.49 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.281 0.562 . . . . 50.04 110.51 177.765 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . 0.587 ' O ' ' HA ' ' A' ' 100' ' ' ARG . 0.2 OUTLIER -113.9 114.61 47.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 115.096 -0.956 . . . . 74.42 109.767 -178.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . 0.524 HG12 HG21 ' A' ' 115' ' ' VAL . 3.3 m -94.78 138.95 19.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 115.678 -0.692 . . . . 53.11 109.72 -177.378 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.315 -0.907 0 CA-C-N 115.805 -0.634 . . . . 73.13 110.755 -175.701 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . 0.513 ' SD ' ' HB2' ' A' ' 96' ' ' ASP . 27.1 ptm . . . . . 0 C--O 1.234 0.28 0 CA-C-O 120.96 0.41 . . . . 72.42 110.714 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 19.0 t30 -99.38 85.47 3.18 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.612 -0.722 . . . . 61.35 109.732 -179.442 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . 0.627 HD11 ' HB3' ' A' ' 96' ' ' ASP . 31.6 mm -68.37 135.27 28.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 115.176 -0.92 . . . . 72.42 112.564 -177.769 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.478 ' HG ' ' HD3' ' A' ' 87' ' ' PRO . 92.1 mt -85.02 -45.06 12.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.599 -0.728 . . . . 75.25 110.128 174.546 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 5' ' ' TYR . . . . . . . . . . . . . 42.9 t80 -140.86 129.65 22.99 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 116.514 -0.312 . . . . 75.45 110.736 -178.073 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . 0.571 ' HB2' HG21 ' B' ' 3' ' ' ILE . 35.2 ttmt -137.28 136.87 38.42 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-O 120.971 0.415 . . . . 65.01 110.781 178.576 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 9.0 t -131.39 148.11 52.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.944 -0.571 . . . . 72.52 109.942 179.68 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . 0.442 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . . . -107.04 144.05 34.26 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-O 120.904 0.383 . . . . 64.22 111.107 -176.606 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . 0.478 ' HA ' ' HA ' ' B' ' 21' ' ' SER . . . -130.4 122.06 27.08 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.132 -0.485 . . . . 31.45 110.284 177.103 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 8.9 t -100.46 125.32 46.75 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.335 -0.393 . . . . 64.31 110.182 179.336 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 11' ' ' SER . . . . . 0.578 ' HA ' ' O ' ' B' ' 18' ' ' ARG . 13.5 p -124.36 119.51 29.45 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.823 0.344 . . . . 74.14 110.961 -179.877 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . 0.551 ' HA ' HG22 ' A' ' 78' ' ' THR . 4.0 m -86.92 165.74 15.67 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.928 -0.578 . . . . 53.42 109.76 175.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -78.47 -1.92 83.27 Favored Glycine 0 N--CA 1.449 -0.493 0 CA-C-O 119.114 -0.826 . . . . 71.12 113.866 -178.579 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 28.81 -140.84 0.01 OUTLIER Glycine 0 C--N 1.348 1.216 0 O-C-N 124.074 0.514 . . . . 73.4 113.244 -174.474 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 94.7 mtt180 -67.65 -47.73 68.69 Favored 'General case' 0 C--O 1.234 0.24 0 N-CA-C 107.025 -1.472 . . . . 65.14 107.025 159.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 16' ' ' ASP . . . . . 0.565 ' HB3' ' HA ' ' B' ' 31' ' ' SER . 25.5 t0 -125.75 -43.1 1.88 Allowed 'General case' 0 C--O 1.235 0.307 0 CA-C-N 114.684 -1.144 . . . . 65.33 111.068 177.624 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 17' ' ' GLY . . . . . 0.43 ' O ' ' HG3' ' B' ' 29' ' ' LYS . . . -167.4 159.92 33.4 Favored Glycine 0 C--N 1.341 0.834 0 C-N-CA 119.606 -1.283 . . . . 74.22 112.578 170.136 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 18' ' ' ARG . . . . . 0.659 ' HA ' ' HA ' ' B' ' 29' ' ' LYS . 5.2 tmm_? -145.67 100.87 3.49 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 108.702 -0.851 . . . . 74.4 108.702 179.116 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 19' ' ' ALA . . . . . 0.434 ' HB2' ' HB2' ' A' ' 56' ' ' ALA . . . -102.43 124.06 47.32 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.88 0.372 . . . . 64.21 111.093 -171.699 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 91.6 m -134.56 116.17 14.73 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.936 -0.574 . . . . 75.11 110.091 178.6 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 21' ' ' SER . . . . . 0.607 ' HB2' ' OE1' ' A' ' 48' ' ' GLN . 30.0 t -76.61 112.72 13.47 Favored 'General case' 0 C--O 1.246 0.903 0 N-CA-C 107.965 -1.124 . . . . 74.21 107.965 175.115 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 22' ' ' HIS . . . . . 0.442 ' C ' ' H ' ' B' ' 24' ' ' GLN . 49.1 t-80 -55.5 -27.71 50.2 Favored 'General case' 0 C--N 1.344 0.339 0 O-C-N 126.484 2.365 . . . . 73.12 112.307 -169.405 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 41.3 t0 -80.61 18.44 0.95 Allowed 'General case' 0 CA--C 1.536 0.412 0 CA-C-O 121.67 0.748 . . . . 63.54 109.419 178.837 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 24' ' ' GLN . . . . . 0.442 ' H ' ' C ' ' B' ' 22' ' ' HIS . 31.0 mm-40 66.45 22.86 10.64 Favored 'General case' 0 CA--C 1.52 -0.179 0 CA-C-N 114.608 -1.178 . . . . 71.43 110.295 176.689 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -80.55 -26.08 38.22 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.482 -0.781 . . . . 41.25 109.889 176.794 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . 0.542 ' N ' ' HB3' ' B' ' 21' ' ' SER . 55.7 tp -152.35 150.1 29.35 Favored 'General case' 0 C--N 1.344 0.33 0 C-N-CA 119.85 -0.74 . . . . 71.52 111.512 -177.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -162.33 91.01 0.76 Allowed 'General case' 0 N--CA 1.467 0.377 0 O-C-N 123.602 0.564 . . . . 53.33 110.675 175.422 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 28' ' ' VAL . . . . . 0.463 HG22 HD11 ' B' ' 26' ' ' LEU . 3.7 m -150.8 178.16 0.6 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.681 0 CA-C-O 121.22 0.533 . . . . 74.12 111.647 178.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.659 ' HA ' ' HA ' ' B' ' 18' ' ' ARG . 13.7 ttmt -128.34 145.61 51.02 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.381 -0.827 . . . . 64.31 109.801 177.316 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . 0.878 ' HA ' ' H ' ' B' ' 44' ' ' THR . 0.0 OUTLIER -128.79 157.86 40.29 Favored 'General case' 0 C--O 1.26 1.646 0 CA-C-O 121.567 0.699 . . . . 72.32 111.41 179.066 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 31' ' ' SER . . . . . 0.565 ' HA ' ' HB3' ' B' ' 16' ' ' ASP . 48.1 m -156.08 124.55 5.86 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 114.098 -1.41 . . . . 62.35 110.498 -178.713 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.22 128.92 82.73 Favored Pre-proline 0 C--O 1.239 0.503 0 CA-C-N 115.707 -0.679 . . . . 75.13 110.548 179.588 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 33' ' ' PRO . . . . . 0.722 ' HG3' HD21 ' B' ' 45' ' ' ASN . 18.4 Cg_endo -55.35 131.25 45.15 Favored 'Trans proline' 0 C--N 1.351 0.672 0 C-N-CA 122.782 2.321 . . . . 71.3 111.092 -179.122 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 34' ' ' ARG . . . . . 0.757 ' HB2' ' HA3' ' B' ' 40' ' ' GLY . 9.4 ttt180 -74.15 -3.13 27.83 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.601 -0.272 . . . . 71.43 111.102 -173.28 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -57.01 -31.04 64.71 Favored 'General case' 0 CA--C 1.532 0.25 0 CA-C-N 115.932 -0.576 . . . . 72.42 110.625 179.671 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.499 ' HG ' HD12 ' B' ' 85' ' ' ILE . 1.4 mm? -98.18 7.88 45.62 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 115.705 -0.68 . . . . 63.52 110.619 -177.196 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 79.47 59.31 2.71 Favored Glycine 0 N--CA 1.452 -0.24 0 N-CA-C 110.901 -0.88 . . . . 51.22 110.901 -172.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . 0.481 ' H ' ' HA ' ' B' ' 34' ' ' ARG . . . -122.72 -129.41 3.53 Favored Glycine 0 C--N 1.331 0.28 0 C-N-CA 121.581 -0.342 . . . . 64.12 112.436 -174.67 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -94.47 -50.38 5.24 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.982 0.42 . . . . 71.25 110.123 -174.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 40' ' ' GLY . . . . . 0.757 ' HA3' ' HB2' ' B' ' 34' ' ' ARG . . . 62.34 85.02 0.05 OUTLIER Glycine 0 N--CA 1.447 -0.62 0 CA-C-N 115.526 -0.761 . . . . 53.13 112.39 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . 0.452 ' HB3' ' CB ' ' B' ' 31' ' ' SER . . . -144.62 -171.97 3.72 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.887 0.375 . . . . 45.11 111.216 -176.88 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -81.93 9.22 8.62 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-N 115.62 -0.718 . . . . 74.14 111.43 -179.384 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -83.78 -175.4 50.87 Favored Glycine 0 C--N 1.335 0.476 0 C-N-CA 121.349 -0.453 . . . . 72.12 112.493 179.27 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 44' ' ' THR . . . . . 0.878 ' H ' ' HA ' ' B' ' 30' ' ' LEU . 18.1 p -102.02 173.9 6.18 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 122.499 0.319 . . . . 35.03 111.626 -177.511 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 45' ' ' ASN . . . . . 0.722 HD21 ' HG3' ' B' ' 33' ' ' PRO . 3.0 m120 -86.59 122.18 71.88 Favored Pre-proline 0 CA--C 1.538 0.508 0 CA-C-N 116.062 -0.517 . . . . 71.14 110.761 -179.826 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 46' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -56.21 -54.13 4.4 Favored 'Trans proline' 0 CA--C 1.54 0.785 0 C-N-CA 123.036 2.491 . . . . 54.41 113.315 178.368 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.68 -37.79 87.83 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-O 120.811 0.338 . . . . 73.03 110.308 -179.728 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . 0.717 HE22 ' HG3' ' A' ' 25' ' ' LYS . 35.2 tt0 -58.15 -42.8 86.68 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.859 -0.61 . . . . 65.22 110.282 174.599 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 49' ' ' LEU . . . . . 0.62 HD12 ' HA3' ' A' ' 53' ' ' GLY . 3.3 tm? -60.62 -49.19 78.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.362 -0.835 . . . . 73.15 109.676 179.257 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 50' ' ' PHE . . . . . 0.416 ' CG ' ' HE1' ' A' ' 124' ' ' TYR . 66.3 t80 -58.24 -45.13 88.32 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-N 116.418 -0.355 . . . . 74.53 110.671 176.563 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . 0.449 ' HB2' ' CG1' ' B' ' 83' ' ' VAL . . . -54.66 -52.96 60.72 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.212 -0.449 . . . . 63.22 111.342 178.294 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -57.8 -46.97 83.89 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.951 -0.568 . . . . 74.31 111.167 179.566 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . 0.58 ' HA3' HD12 ' A' ' 49' ' ' LEU . . . -65.09 -38.35 95.24 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.98 -0.629 . . . . 73.22 112.212 179.69 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 54' ' ' TYR . . . . . 0.756 ' HA ' ' SG ' ' B' ' 57' ' ' CYS . 2.5 t80 -71.33 -41.49 69.75 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 122.418 0.287 . . . . 73.14 110.519 -177.768 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 55' ' ' SER . . . . . 0.461 ' HB3' ' HB2' ' B' ' 81' ' ' ALA . 21.1 p -65.08 -43.36 92.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.05 0.452 . . . . 71.55 110.124 177.785 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.05 -49.24 76.78 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.771 -0.649 . . . . 72.32 110.801 177.019 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 57' ' ' CYS . . . . . 0.756 ' SG ' ' HA ' ' B' ' 54' ' ' TYR . 21.9 p -65.81 -36.03 82.34 Favored 'General case' 0 C--O 1.225 -0.206 0 CA-C-N 116.282 -0.417 . . . . 72.4 110.5 -178.59 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 32.5 t80 -63.16 -41.1 99.19 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-O 121.197 0.522 . . . . 52.32 109.613 -179.499 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 6.5 tt -64.65 -45.83 85.1 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 115.635 -0.711 . . . . 64.41 109.252 176.65 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 60' ' ' SER . . . . . 0.528 ' HA ' ' HG2' ' B' ' 63' ' ' LYS . 21.3 t -61.09 -34.78 75.47 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-O 121.475 0.655 . . . . 73.23 110.048 177.14 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.03 -42.92 88.99 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.88 -0.6 . . . . 44.1 110.057 178.398 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 62' ' ' MET . . . . . . . . . . . . . 62.7 mmm -63.62 -42.65 98.18 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.373 -0.376 . . . . 71.0 111.688 179.08 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . 0.528 ' HG2' ' HA ' ' B' ' 60' ' ' SER . 21.3 ptmt -67.75 -37.55 82.28 Favored 'General case' 0 N--CA 1.465 0.29 0 C-N-CA 120.643 -0.423 . . . . 72.03 110.303 179.514 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 67.5 t80 -66.89 -46.02 76.23 Favored 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 110.056 -0.349 . . . . 73.11 110.056 177.268 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 25.4 t -55.46 -46.82 78.87 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.102 0 CA-C-N 116.106 -0.497 . . . . 75.05 110.123 175.585 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -57.54 -33.55 68.23 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.809 -0.632 . . . . 74.13 110.424 177.561 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -67.31 -32.0 78.55 Favored Glycine 0 N--CA 1.452 -0.262 0 CA-C-N 115.434 -0.803 . . . . 75.04 112.323 -178.299 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 68' ' ' GLN . . . . . 0.405 ' HG3' HD22 ' B' ' 69' ' ' ASN . 13.5 pt20 -97.4 -14.86 20.96 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 121.362 0.601 . . . . 64.5 109.522 -179.46 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 69' ' ' ASN . . . . . 0.405 HD22 ' HG3' ' B' ' 68' ' ' GLN . 1.1 m-80 -89.72 -3.47 58.18 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.278 -0.874 . . . . 65.21 110.145 175.521 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 62.01 35.37 16.09 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 115.662 -0.699 . . . . 73.12 110.991 176.54 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -128.9 166.25 19.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.19 -0.913 . . . . 74.24 109.815 177.209 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 64.0 p -123.31 144.05 49.68 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.014 0.435 . . . . 74.12 110.588 178.107 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 96.6 mt -109.56 144.44 29.86 Favored Pre-proline 0 C--N 1.324 -0.537 0 CA-C-N 115.66 -0.7 . . . . 75.15 110.358 178.122 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 74' ' ' PRO . . . . . 0.42 ' O ' HG22 ' B' ' 77' ' ' THR . 12.4 Cg_endo -57.06 138.23 85.39 Favored 'Trans proline' 0 C--N 1.348 0.551 0 C-N-CA 122.951 2.434 . . . . 62.01 112.525 178.166 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -71.82 -20.25 61.87 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 121.485 0.66 . . . . 71.53 111.458 -179.284 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -87.69 18.25 4.15 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.246 -0.888 . . . . 60.22 111.603 -171.295 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 77' ' ' THR . . . . . 0.597 ' HB ' HD13 ' B' ' 103' ' ' LEU . 3.5 t -84.67 167.47 16.16 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.017 0.436 . . . . 73.25 111.922 -177.585 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 78' ' ' THR . . . . . 0.425 ' HA ' ' O ' ' A' ' 11' ' ' SER . 1.1 p -151.7 149.29 28.92 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 115.533 -0.758 . . . . 71.23 110.439 177.793 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 73.7 t -131.98 118.22 36.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 N-CA-C 109.489 -0.56 . . . . 54.24 109.489 175.242 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 19.0 m -105.68 113.2 26.62 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-O 120.837 0.351 . . . . 72.42 110.89 -177.472 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 81' ' ' ALA . . . . . 0.461 ' HB2' ' HB3' ' B' ' 55' ' ' SER . . . -93.18 110.74 22.25 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.323 -0.621 . . . . 73.43 109.323 176.082 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 82' ' ' GLU . . . . . 0.525 ' HA ' ' HA ' ' A' ' 8' ' ' ALA . 28.6 tt0 -108.13 109.07 20.39 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.77 -0.455 . . . . 71.23 109.77 -178.758 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . 0.449 ' CG1' ' HB2' ' B' ' 51' ' ' ALA . 18.3 m -101.79 145.9 10.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.025 -0.534 . . . . 71.44 110.813 -177.079 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 84' ' ' GLY . . . . . 0.404 ' HA2' ' HA ' ' A' ' 6' ' ' LYS . . . -139.16 155.44 23.93 Favored Glycine 0 N--CA 1.442 -0.961 0 N-CA-C 111.252 -0.739 . . . . 52.45 111.252 178.037 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 85' ' ' ILE . . . . . 0.556 HD11 ' CD2' ' B' ' 93' ' ' PHE . 0.0 OUTLIER -132.86 130.72 59.03 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 N-CA-C 109.133 -0.692 . . . . 73.1 109.133 -178.674 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -134.81 169.85 23.04 Favored Glycine 0 N--CA 1.452 -0.249 0 CA-C-N 115.25 -0.886 . . . . 52.3 111.009 179.063 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 87' ' ' PRO . . . . . 0.678 ' HD3' ' HG ' ' A' ' 4' ' ' LEU . 79.4 Cg_endo -89.97 139.18 3.09 Favored 'Trans proline' 0 N--CA 1.452 -0.929 0 C-N-CA 122.577 2.185 . . . . 61.3 112.756 -175.282 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 88' ' ' ASN . . . . . . . . . . . . . 55.0 t-20 -102.42 133.22 47.71 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 108.445 -0.946 . . . . 72.3 108.445 174.728 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -58.67 -21.37 54.21 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.148 0.499 . . . . 65.22 110.879 -178.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -67.21 -20.03 65.64 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.554 -0.748 . . . . 74.05 110.789 179.634 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.67 35.33 3.3 Favored Glycine 0 N--CA 1.454 -0.107 0 CA-C-N 115.77 -0.65 . . . . 72.2 112.678 178.246 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . -143.63 175.78 23.4 Favored Glycine 0 N--CA 1.446 -0.678 0 N-CA-C 111.236 -0.746 . . . . 70.13 111.236 177.299 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 93' ' ' PHE . . . . . 0.556 ' CD2' HD11 ' B' ' 85' ' ' ILE . 34.7 m-85 -98.19 138.62 35.19 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.666 -0.494 . . . . 73.12 109.666 178.851 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 94' ' ' ALA . . . . . 0.414 ' HB3' ' HE1' ' A' ' 1' ' ' MET . . . -118.49 136.93 53.53 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.869 -0.605 . . . . 62.21 109.501 -176.16 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -103.48 144.18 31.75 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.371 0.605 . . . . 74.21 111.572 -174.131 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 96' ' ' ASP . . . . . 0.51 ' CB ' HD11 ' A' ' 3' ' ' ILE . 30.5 t70 -136.48 110.36 8.19 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 114.667 -1.151 . . . . 73.53 108.642 179.816 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 97' ' ' VAL . . . . . 0.516 HG13 HG22 ' B' ' 134' ' ' VAL . 2.4 p -125.05 123.67 65.97 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.007 0 CA-C-O 121.305 0.574 . . . . 65.34 111.175 -174.19 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 98' ' ' GLU . . . . . 0.419 ' CG ' ' HB3' ' B' ' 82' ' ' GLU . 9.2 pt-20 -108.64 124.78 51.04 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.715 -0.675 . . . . 74.42 109.919 178.318 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 99' ' ' LEU . . . . . 0.409 HD11 ' CE2' ' B' ' 54' ' ' TYR . 94.0 mt -94.98 107.58 19.62 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.626 -0.715 . . . . 61.12 109.493 178.591 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 100' ' ' ARG . . . . . 0.575 ' HA ' ' O ' ' B' ' 137' ' ' VAL . 80.0 ttt180 -99.53 111.51 23.85 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.072 -0.513 . . . . 64.11 110.036 -176.599 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 101' ' ' VAL . . . . . 0.439 HG21 HG22 ' B' ' 115' ' ' VAL . 96.7 t -103.62 109.44 27.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.045 -0.525 . . . . 60.12 110.902 -173.018 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 102' ' ' ALA . . . . . 0.587 ' HA ' ' HB3' ' B' ' 139' ' ' ALA . . . -107.32 101.14 10.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.037 0.446 . . . . 53.32 110.468 178.482 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 103' ' ' LEU . . . . . 0.597 HD13 ' HB ' ' B' ' 77' ' ' THR . 2.3 mm? -113.6 120.23 39.92 Favored Pre-proline 0 C--N 1.326 -0.452 0 CA-C-N 115.705 -0.679 . . . . 72.24 109.307 177.323 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 104' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -71.47 147.42 52.12 Favored 'Trans proline' 0 N--CA 1.457 -0.627 0 C-N-CA 122.093 1.862 . . . . 74.24 111.817 179.272 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 105' ' ' GLY . . . . . . . . . . . . . . . 67.59 15.22 66.0 Favored Glycine 0 CA--C 1.522 0.521 0 CA-C-N 115.44 -0.8 . . . . 72.34 113.243 -178.459 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 106' ' ' LEU . . . . . 0.451 HD23 ' HB2' ' B' ' 103' ' ' LEU . 28.7 tp -118.71 137.52 53.27 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-O 121.041 0.448 . . . . 60.53 111.037 -178.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -79.05 140.56 37.88 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.475 -0.784 . . . . 63.12 110.682 176.319 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 108' ' ' ALA . . . . . 0.437 ' O ' ' HG3' ' B' ' 112' ' ' LYS . . . -57.49 -37.44 72.95 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.476 -0.329 . . . . 34.32 111.144 178.37 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -57.54 -51.66 68.56 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.099 -0.501 . . . . 64.51 111.001 -179.71 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -69.22 -37.61 78.13 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.16 -0.473 . . . . 72.03 110.32 177.735 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 111' ' ' ALA . . . . . 0.491 ' O ' HG23 ' B' ' 115' ' ' VAL . . . -56.54 -38.95 72.59 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.477 -0.783 . . . . 64.14 110.945 -178.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 112' ' ' LYS . . . . . 0.453 ' HA ' HG11 ' B' ' 138' ' ' VAL . 57.0 mtpt -57.01 -43.35 81.71 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.382 0.61 . . . . 74.45 110.216 178.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 113' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -73.83 -35.15 64.8 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.259 -0.882 . . . . 72.03 110.791 -178.055 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 114' ' ' LEU . . . . . 0.424 HD12 HD21 ' B' ' 106' ' ' LEU . 82.7 mt -65.77 -45.71 81.47 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-O 120.932 0.396 . . . . 70.23 109.964 179.358 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 115' ' ' VAL . . . . . 0.513 HG21 HG12 ' B' ' 138' ' ' VAL . 62.1 t -67.06 -36.79 77.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.997 -0.547 . . . . 63.55 110.037 177.677 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -55.76 -57.69 10.95 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.032 -0.531 . . . . 75.43 110.412 178.255 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 117' ' ' ARG . . . . . . . . . . . . . 10.3 ptm180 -66.99 -39.07 87.05 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.929 -0.578 . . . . 70.2 110.827 -177.067 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 118' ' ' ALA . . . . . 0.436 ' O ' HG22 ' B' ' 121' ' ' VAL . . . -62.81 -31.81 72.88 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.159 0.504 . . . . 61.11 110.766 178.312 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 119' ' ' HIS . . . . . 0.453 ' NE2' HG23 ' B' ' 128' ' ' THR . 44.7 t60 -77.84 5.63 9.19 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 116.015 -0.539 . . . . 74.31 110.652 -179.874 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 62.8 m80 -102.58 -31.73 10.26 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 116.08 -0.509 . . . . 61.52 110.576 174.342 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 121' ' ' VAL . . . . . 0.436 HG22 ' O ' ' B' ' 118' ' ' ALA . 24.7 m -83.1 -10.7 11.94 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.288 0 CA-C-N 116.486 -0.325 . . . . 63.42 111.267 -176.25 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 122' ' ' CYS . . . . . 0.635 ' SG ' HG21 ' B' ' 128' ' ' THR . 18.3 p -65.42 118.68 52.89 Favored Pre-proline 0 CA--C 1.533 0.321 0 N-CA-C 109.875 -0.417 . . . . 74.53 109.875 176.556 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 123' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -53.6 -33.2 67.69 Favored 'Trans proline' 0 C--N 1.353 0.776 0 C-N-CA 123.116 2.544 . . . . 65.25 113.212 -174.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 124' ' ' TYR . . . . . 0.421 ' N ' ' CD2' ' B' ' 124' ' ' TYR . 4.3 m-30 . . . . . 0 CA--C 1.536 0.432 0 CA-C-O 121.663 0.745 . . . . 65.35 109.089 -178.494 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 128' ' ' THR . . . . . 0.635 HG21 ' SG ' ' B' ' 122' ' ' CYS . 1.7 t . . . . . 0 C--O 1.234 0.251 0 CA-C-O 121.288 0.566 . . . . 55.14 109.503 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 129' ' ' ARG . . . . . . . . . . . . . 14.7 ptm180 -150.16 -60.11 0.2 Allowed 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 115.862 -0.608 . . . . 75.21 112.367 178.38 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 130' ' ' ASN . . . . . . . . . . . . . 88.5 m-20 -78.88 -32.76 46.0 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 112.044 0.387 . . . . 74.14 112.044 -169.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 131' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -90.98 -36.8 13.87 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.458 -0.337 . . . . 75.43 110.469 -179.106 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 132' ' ' VAL . . . . . . . . . . . . . 55.1 t -121.02 131.71 72.32 Favored 'Isoleucine or valine' 0 C--O 1.233 0.21 0 N-CA-C 110.087 -0.338 . . . . 52.13 110.087 -174.022 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 133' ' ' ALA . . . . . . . . . . . . . . . -70.9 103.38 2.62 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 116.093 -0.503 . . . . 72.23 110.629 -178.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 134' ' ' VAL . . . . . 0.516 HG22 HG13 ' B' ' 97' ' ' VAL . 31.4 t -114.3 123.83 70.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.756 -0.656 . . . . 61.1 110.729 -179.522 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 12.2 tpt180 -98.84 124.75 43.95 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.638 -0.504 . . . . 74.32 109.638 175.669 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 71.4 mt -90.67 112.91 24.84 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.227 0.537 . . . . 72.41 110.64 178.123 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 137' ' ' VAL . . . . . 0.575 ' O ' ' HA ' ' B' ' 100' ' ' ARG . 0.3 OUTLIER -119.77 113.83 42.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.17 -0.923 . . . . 72.22 110.075 -178.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 138' ' ' VAL . . . . . 0.513 HG12 HG21 ' B' ' 115' ' ' VAL . 4.0 m -103.15 138.67 26.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.623 -0.717 . . . . 70.52 110.151 -177.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 139' ' ' ALA . . . . . 0.587 ' HB3' ' HA ' ' B' ' 102' ' ' ALA . . . . . . . . 0 C--O 1.251 1.134 0 CA-C-O 118.589 -0.72 . . . . 71.35 110.966 -175.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.445 ' SD ' ' HB2' ' B' ' 96' ' ' ASP . 28.7 ptm . . . . . 0 N--CA 1.483 1.187 0 CA-C-O 120.804 0.335 . . . . 71.43 110.408 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . 0.483 ' O ' ' HD2' ' B' ' 87' ' ' PRO . 38.7 t30 -101.91 84.74 2.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.11 -0.495 . . . . 75.52 109.713 178.572 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.53 HG21 ' HB2' ' A' ' 6' ' ' LYS . 26.3 mm -69.01 127.27 30.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.801 -0.636 . . . . 51.02 111.24 178.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.579 ' HG ' ' HD3' ' B' ' 87' ' ' PRO . 85.8 mt -86.17 -41.67 14.49 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.628 -0.715 . . . . 74.21 110.068 175.677 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 41.1 t80 -139.4 131.08 27.34 Favored 'General case' 0 C--O 1.221 -0.442 0 CA-C-N 116.168 -0.469 . . . . 54.43 110.447 -178.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.53 ' HB2' HG21 ' A' ' 3' ' ' ILE . 31.4 ttmt -140.8 137.1 33.08 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.845 0.355 . . . . 62.42 110.676 176.071 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.468 HG23 ' NE2' ' B' ' 48' ' ' GLN . 15.0 t -141.6 143.49 33.71 Favored 'General case' 0 C--O 1.24 0.584 0 CA-C-N 115.868 -0.605 . . . . 73.02 110.383 179.363 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.538 ' HA ' ' HA ' ' B' ' 82' ' ' GLU . . . -110.19 140.51 44.23 Favored 'General case' 0 N--CA 1.466 0.356 0 N-CA-C 112.401 0.519 . . . . 64.34 112.401 -173.116 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.449 ' HA ' ' H ' ' A' ' 22' ' ' HIS . . . -122.1 125.43 46.18 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.624 -0.716 . . . . 65.14 110.458 178.33 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 69.2 m -98.13 123.39 42.16 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.258 -0.428 . . . . 73.43 110.467 178.591 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 10.7 p -121.33 130.91 53.89 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.129 0.49 . . . . 71.32 110.674 177.297 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.5 m -113.41 154.96 26.1 Favored 'General case' 0 C--O 1.242 0.674 0 CA-C-N 116.3 -0.409 . . . . 72.12 110.65 -179.773 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -85.77 74.6 2.4 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 121.149 -0.548 . . . . 62.44 111.779 177.719 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -63.23 -107.72 0.01 OUTLIER Glycine 0 C--N 1.334 0.46 0 C-N-CA 121.482 -0.39 . . . . 62.02 112.42 178.143 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 47.5 mtt180 -85.87 -55.66 3.85 Favored 'General case' 0 C--N 1.329 -0.284 0 O-C-N 122.238 -0.566 . . . . 73.04 109.678 172.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.578 ' HB3' ' HA ' ' A' ' 31' ' ' SER . 20.1 t70 -125.85 -42.76 1.88 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.118 -0.492 . . . . 74.22 110.289 175.801 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -164.49 143.99 9.01 Favored Glycine 0 C--N 1.345 1.03 0 C-N-CA 119.589 -1.291 . . . . 73.12 112.598 165.755 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 3.0 tmt_? -129.55 111.1 12.4 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.013 -0.736 . . . . 73.24 109.013 175.714 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.645 ' HB1' ' HB1' ' B' ' 52' ' ' ALA . . . -113.58 124.17 51.71 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.731 0.3 . . . . 71.12 111.118 -174.049 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.416 HG23 ' O ' ' A' ' 26' ' ' LEU . 63.4 m -134.55 117.72 16.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 63.53 110.967 -177.684 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.582 ' HB3' ' N ' ' A' ' 26' ' ' LEU . 25.4 t -68.51 106.96 2.74 Favored 'General case' 0 C--O 1.244 0.79 0 N-CA-C 106.509 -1.663 . . . . 62.3 106.509 172.247 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.449 ' H ' ' HA ' ' A' ' 9' ' ' ALA . 48.6 t60 -68.11 -11.8 59.74 Favored 'General case' 0 CA--C 1.519 -0.23 0 O-C-N 125.197 1.561 . . . . 71.44 111.159 -165.272 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.521 ' HB3' ' HE2' ' A' ' 25' ' ' LYS . 23.5 t70 -80.23 14.13 2.06 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.025 -0.731 . . . . 73.43 109.025 174.133 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.41 ' H ' ' C ' ' A' ' 22' ' ' HIS . 28.6 mm-40 69.92 25.31 4.95 Favored 'General case' 0 C--N 1.341 0.222 0 CA-C-N 114.853 -1.067 . . . . 72.53 110.787 175.716 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.521 ' HE2' ' HB3' ' A' ' 23' ' ' ASP . 53.9 mtmt -98.5 -19.25 17.75 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.697 -0.683 . . . . 73.44 111.917 -179.421 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.582 ' N ' ' HB3' ' A' ' 21' ' ' SER . 48.5 tp -151.22 145.59 25.49 Favored 'General case' 0 C--O 1.22 -0.468 0 C-N-CA 120.055 -0.658 . . . . 74.42 110.898 178.023 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -156.21 97.39 1.77 Allowed 'General case' 0 C--O 1.234 0.263 0 O-C-N 123.516 0.51 . . . . 74.13 109.917 175.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 3.7 m -144.33 178.11 1.8 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.375 0 CA-C-O 121.566 0.698 . . . . 62.12 112.057 179.581 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 20.1 ttmt -141.67 140.28 33.18 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 114.834 -1.076 . . . . 62.42 109.686 -178.762 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.788 ' HA ' ' H ' ' A' ' 44' ' ' THR . 0.0 OUTLIER -126.09 162.86 24.36 Favored 'General case' 0 C--O 1.257 1.494 0 CA-C-N 116.251 -0.431 . . . . 64.12 110.751 179.546 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.578 ' HA ' ' HB3' ' A' ' 16' ' ' ASP . 52.5 m -157.77 134.17 9.64 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 115.126 -0.943 . . . . 75.34 110.998 -176.488 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.91 125.72 87.23 Favored Pre-proline 0 C--O 1.239 0.526 0 CA-C-N 115.761 -0.654 . . . . 52.21 110.497 175.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.611 ' HG2' HD23 ' A' ' 36' ' ' LEU . 18.7 Cg_endo -59.43 143.27 99.75 Favored 'Trans proline' 0 C--N 1.35 0.617 0 C-N-CA 122.811 2.341 . . . . 73.33 111.761 -179.344 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.471 ' HG2' ' HA3' ' A' ' 40' ' ' GLY . 0.7 OUTLIER -74.92 -9.45 58.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.319 -0.401 . . . . 50.12 110.661 -176.876 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -60.52 -27.55 67.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.06 -0.518 . . . . 75.14 110.519 178.124 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.611 HD23 ' HG2' ' A' ' 33' ' ' PRO . 2.4 mm? -104.92 13.02 31.78 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 116.08 -0.509 . . . . 63.44 110.437 178.759 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 75.08 31.95 57.0 Favored Glycine 0 C--N 1.332 0.345 0 C-N-CA 121.09 -0.576 . . . . 72.22 111.719 -175.488 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -82.09 -130.5 1.32 Allowed Glycine 0 C--N 1.334 0.42 0 C-N-CA 121.486 -0.388 . . . . 73.44 112.878 -178.287 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -95.87 -39.87 9.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.099 0.476 . . . . 63.22 110.344 -174.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.471 ' HA3' ' HG2' ' A' ' 34' ' ' ARG . . . 70.72 90.24 0.09 OUTLIER Glycine 0 N--CA 1.447 -0.624 0 CA-C-N 115.564 -0.744 . . . . 45.53 112.465 -177.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -163.15 153.17 15.76 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.776 -0.454 . . . . 44.21 109.776 -178.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -73.73 76.04 1.56 Allowed 'General case' 0 CA--C 1.533 0.3 0 CA-C-O 121.75 0.786 . . . . 71.23 110.484 179.526 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -132.31 -152.92 7.19 Favored Glycine 0 N--CA 1.453 -0.208 0 CA-C-N 115.134 -0.939 . . . . 55.55 111.764 179.467 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.788 ' H ' ' HA ' ' A' ' 30' ' ' LEU . 83.3 m -117.24 156.83 27.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.627 0.214 . . . . 74.01 110.533 -177.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 46.2 m-80 -84.22 119.5 73.3 Favored Pre-proline 0 C--O 1.235 0.309 0 N-CA-C 109.739 -0.467 . . . . 72.33 109.739 173.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -53.58 -44.24 50.75 Favored 'Trans proline' 0 C--N 1.349 0.596 0 C-N-CA 122.82 2.346 . . . . 63.04 112.361 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -65.48 -34.44 78.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.839 -0.619 . . . . 62.13 110.277 -177.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.429 ' HA ' HG11 ' A' ' 83' ' ' VAL . 1.0 OUTLIER -67.49 -35.81 79.86 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.828 -0.624 . . . . 72.35 109.358 175.423 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.543 HD12 ' HA3' ' B' ' 53' ' ' GLY . 3.3 tm? -63.16 -46.55 86.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.42 -0.809 . . . . 71.11 109.722 179.724 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 74.3 t80 -63.51 -46.13 87.5 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 116.57 -0.286 . . . . 64.45 110.884 176.45 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.517 ' HB1' ' HB1' ' A' ' 81' ' ' ALA . . . -55.13 -53.21 58.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.349 -0.387 . . . . 52.03 111.103 -179.861 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.98 -35.87 81.77 Favored 'General case' 0 C--O 1.237 0.435 0 CA-C-N 116.004 -0.544 . . . . 51.43 110.643 -179.011 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -66.66 -40.46 94.0 Favored Glycine 0 N--CA 1.447 -0.586 0 CA-C-N 115.602 -0.726 . . . . 45.35 112.115 178.312 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -70.77 -40.96 72.31 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 110.072 -0.344 . . . . 71.4 110.072 -178.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 17.9 p -64.41 -47.62 78.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.924 0.392 . . . . 50.31 110.326 178.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.475 ' HB2' ' HB2' ' B' ' 19' ' ' ALA . . . -65.57 -39.48 91.71 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 116.118 -0.492 . . . . 72.41 110.846 178.378 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 54.0 t -66.89 -36.37 82.14 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.768 -0.651 . . . . 74.4 110.637 178.56 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 37.6 t80 -71.76 -33.87 69.0 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-O 121.024 0.44 . . . . 64.12 110.027 -178.213 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.42 HD21 HG23 ' A' ' 77' ' ' THR . 1.5 tm? -63.55 -51.81 63.78 Favored 'General case' 0 C--O 1.234 0.28 0 N-CA-C 109.127 -0.694 . . . . 74.12 109.127 177.4 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.431 ' HA ' ' HE3' ' A' ' 63' ' ' LYS . 7.8 p -65.5 -36.06 82.73 Favored 'General case' 0 C--O 1.237 0.424 0 CA-C-N 115.794 -0.639 . . . . 74.4 110.75 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -62.99 -51.51 66.56 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 115.998 -0.547 . . . . 64.15 110.699 177.341 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 52.9 mmm -59.17 -33.02 70.43 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 120.794 0.331 . . . . 61.32 110.823 177.631 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.556 ' HE2' ' HA ' ' B' ' 16' ' ' ASP . 22.1 ttpp -64.17 -43.4 95.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 62.32 110.18 175.397 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 90.8 t80 -63.84 -43.59 95.7 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-O 121.056 0.455 . . . . 70.35 109.978 176.147 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 53.9 t -56.82 -45.37 83.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.894 -0.594 . . . . 51.41 110.145 175.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.421 ' HA ' ' HG3' ' A' ' 71' ' ' GLN . . . -61.9 -29.05 69.95 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.774 -0.648 . . . . 55.45 109.875 177.543 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -72.55 -31.74 62.68 Favored Glycine 0 N--CA 1.452 -0.267 0 CA-C-N 115.326 -0.852 . . . . 65.01 112.268 -178.145 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -92.52 -19.56 21.84 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 121.59 0.709 . . . . 73.33 109.156 -179.062 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 17.7 m-80 -93.07 -1.79 56.18 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.054 -0.975 . . . . 73.35 110.449 175.395 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 21.4 mmtm 63.34 20.73 12.43 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 114.919 -1.037 . . . . 70.5 111.22 173.041 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.421 ' HG3' ' HA ' ' A' ' 66' ' ' ALA . 3.0 pt20 -107.25 169.01 8.83 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.67 -0.695 . . . . 65.11 110.013 -179.39 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 20.6 p -127.56 132.13 49.91 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.047 0.451 . . . . 71.13 110.594 178.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -109.33 139.26 20.89 Favored Pre-proline 0 C--N 1.324 -0.541 0 CA-C-N 115.787 -0.642 . . . . 63.13 109.469 175.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.532 ' O ' HG22 ' A' ' 77' ' ' THR . 52.1 Cg_exo -55.39 118.94 5.75 Favored 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 122.425 2.084 . . . . 75.32 112.213 -178.567 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -71.18 -0.16 9.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.419 0.628 . . . . 74.43 111.212 179.554 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -89.82 10.33 24.03 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.376 -0.829 . . . . 72.44 110.401 178.142 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.572 ' HB ' HD22 ' A' ' 103' ' ' LEU . 7.7 t -84.23 152.84 23.97 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 116.016 -0.538 . . . . 73.42 110.773 178.62 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.4 p -128.14 149.21 50.52 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-O 121.135 0.493 . . . . 65.01 110.908 174.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 72.6 t -124.64 110.5 25.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 115.365 -0.834 . . . . 73.54 108.83 173.795 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.554 ' HB ' ' HB2' ' A' ' 100' ' ' ARG . 6.9 m -98.06 113.82 25.8 Favored 'General case' 0 C--N 1.314 -0.967 0 CA-C-N 115.164 -0.925 . . . . 61.0 110.708 -173.083 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.517 ' HB1' ' HB1' ' A' ' 51' ' ' ALA . . . -100.21 105.32 16.89 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.172 -0.467 . . . . 75.0 109.932 -179.306 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.619 ' HG2' ' HD3' ' B' ' 6' ' ' LYS . 29.3 tt0 -107.74 107.58 18.42 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.044 -0.725 . . . . 74.0 109.044 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.429 HG11 ' HA ' ' A' ' 48' ' ' GLN . 7.3 p -111.95 137.2 45.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.11 -0.496 . . . . 74.25 111.391 -170.313 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.48 ' HA2' ' HA ' ' B' ' 6' ' ' LYS . . . -137.07 175.73 20.94 Favored Glycine 0 N--CA 1.446 -0.68 0 CA-C-N 116.034 -0.53 . . . . 64.22 112.421 179.164 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -143.77 136.14 23.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 N-CA-C 109.392 -0.595 . . . . 71.32 109.392 -179.709 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -149.07 169.95 29.45 Favored Glycine 0 CA--C 1.519 0.328 0 N-CA-C 111.137 -0.785 . . . . 64.2 111.137 177.481 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.605 ' HD3' ' HG ' ' B' ' 4' ' ' LEU . 71.6 Cg_endo -75.53 140.44 24.06 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.418 2.079 . . . . 75.13 112.013 -178.651 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . 0.493 ' HB2' ' HB2' ' A' ' 94' ' ' ALA . 51.2 t-20 -96.02 137.74 34.66 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.365 -0.605 . . . . 63.43 109.365 179.585 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -65.02 -10.97 33.95 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 121.003 0.43 . . . . 74.31 111.216 -179.047 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -67.4 -19.16 65.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.861 -0.608 . . . . 62.35 110.417 173.766 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.52 35.28 3.35 Favored Glycine 0 N--CA 1.453 -0.173 0 CA-C-N 115.748 -0.66 . . . . 52.42 112.471 -179.654 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -153.89 -141.58 3.28 Favored Glycine 0 N--CA 1.453 -0.233 0 N-CA-C 111.845 -0.502 . . . . 74.12 111.845 178.802 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 61.7 m-85 -107.94 166.96 10.32 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.829 0.347 . . . . 72.25 110.403 178.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.493 ' HB2' ' HB2' ' A' ' 88' ' ' ASN . . . -149.06 121.36 8.41 Favored 'General case' 0 C--O 1.238 0.49 0 N-CA-C 109.517 -0.549 . . . . 73.43 109.517 178.074 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -94.43 130.1 40.92 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.998 -0.546 . . . . 75.45 110.456 179.727 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -117.69 140.0 50.26 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 114.746 -1.116 . . . . 62.1 108.934 -179.417 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.597 HG13 HG13 ' A' ' 134' ' ' VAL . 3.2 p -140.85 110.72 3.24 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.813 0 CA-C-O 121.873 0.844 . . . . 41.42 110.455 173.033 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -91.6 107.2 19.04 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 114.721 -1.127 . . . . 51.52 109.112 -179.284 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 18.5 tp -99.63 111.64 23.96 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.868 -0.606 . . . . 73.33 110.25 -174.061 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.554 ' HB2' ' HB ' ' A' ' 80' ' ' THR . 70.7 mtt85 -98.97 132.11 44.53 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.746 -0.661 . . . . 73.43 109.966 -178.008 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 47.6 t -115.23 102.58 13.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.245 -0.434 . . . . 72.23 110.66 -178.143 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -99.4 100.9 12.02 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.884 -0.413 . . . . 73.1 109.884 177.081 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.647 HD12 ' HB2' ' A' ' 106' ' ' LEU . 2.5 tm? -111.67 115.42 51.38 Favored Pre-proline 0 C--O 1.235 0.333 0 N-CA-C 108.454 -0.943 . . . . 73.31 108.454 179.651 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . 0.528 ' HD2' HD22 ' A' ' 103' ' ' LEU . 37.0 Cg_endo -65.27 144.56 81.21 Favored 'Trans proline' 0 N--CA 1.464 -0.228 0 C-N-CA 122.829 2.353 . . . . 73.52 112.947 -176.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 69.48 14.41 69.38 Favored Glycine 0 CA--C 1.521 0.426 0 CA-C-N 115.319 -0.855 . . . . 54.45 112.911 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.647 ' HB2' HD12 ' A' ' 103' ' ' LEU . 33.1 tp -117.55 136.98 52.88 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-O 120.791 0.329 . . . . 65.03 111.254 -178.445 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -73.32 164.83 26.12 Favored 'General case' 0 CA--C 1.512 -0.489 0 CA-C-N 115.717 -0.674 . . . . 72.42 110.856 -178.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.546 ' O ' ' HG3' ' A' ' 112' ' ' LYS . . . -68.63 -45.81 70.87 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.44 -0.8 . . . . 74.35 109.674 170.541 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -61.58 -45.28 94.77 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 115.538 -0.755 . . . . 64.13 110.761 -176.175 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 0.475 ' O ' HG22 ' A' ' 113' ' ' THR . . . -71.43 -45.16 63.39 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.719 -0.673 . . . . 73.25 110.052 178.847 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -54.56 -40.91 69.19 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-N 116.078 -0.51 . . . . 54.13 111.686 -178.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . 0.546 ' HG3' ' O ' ' A' ' 108' ' ' ALA . 97.3 mttt -56.73 -39.59 74.22 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 120.583 0.23 . . . . 74.23 111.486 -178.414 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . 0.475 HG22 ' O ' ' A' ' 110' ' ' ALA . 1.2 t -82.03 -35.86 28.37 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-O 120.709 0.29 . . . . 74.22 110.801 -178.471 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.451 ' HG ' ' O ' ' A' ' 110' ' ' ALA . 45.1 mt -66.38 -44.25 83.64 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-O 121.139 0.495 . . . . 61.01 110.083 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.583 HG21 HG12 ' A' ' 138' ' ' VAL . 55.9 t -61.59 -41.19 89.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.655 -0.702 . . . . 72.22 110.148 176.361 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -57.7 -61.46 2.5 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.802 -0.635 . . . . 63.5 110.585 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . 0.505 ' O ' HG22 ' A' ' 121' ' ' VAL . 12.2 ptm180 -61.27 -44.94 96.41 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.659 -0.701 . . . . 65.24 111.079 -175.882 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -58.1 -51.11 71.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.97 0.414 . . . . 63.41 111.076 -178.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . 0.445 ' CE1' HG13 ' A' ' 115' ' ' VAL . 72.4 m80 -75.28 -12.02 60.19 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 116.275 -0.42 . . . . 74.13 111.449 -176.759 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 12.4 t-160 -94.71 -35.87 11.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.231 -0.44 . . . . 75.14 110.913 -178.584 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.505 HG22 ' O ' ' A' ' 117' ' ' ARG . 21.6 m -91.88 -19.79 6.87 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.338 0 CA-C-N 116.691 -0.231 . . . . 74.54 111.588 -177.708 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 49.7 t -135.13 72.28 67.15 Favored Pre-proline 0 CA--C 1.535 0.373 0 CA-C-O 121.103 0.477 . . . . 72.12 111.237 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 92.4 Cg_endo -97.83 137.72 0.42 Allowed 'Trans proline' 0 N--CA 1.452 -0.941 0 C-N-CA 123.033 2.489 . . . . 74.45 111.679 171.548 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' TYR . . . . . 0.404 ' HE1' ' CG ' ' B' ' 50' ' ' PHE . 12.5 t80 -57.81 -25.13 60.18 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-O 121.65 0.738 . . . . 65.44 109.467 176.529 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . 0.582 ' O ' HG22 ' A' ' 128' ' ' THR . 47.4 t -162.84 140.39 7.99 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 107.653 -1.24 . . . . 62.44 107.653 173.105 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 64.2 t30 -72.21 -31.82 66.21 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.966 0.889 . . . . 73.42 108.959 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . 0.694 ' O ' ' HB3' ' A' ' 131' ' ' ASN . . . -76.84 6.95 5.28 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 114.563 -1.199 . . . . 54.1 111.568 178.408 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 128' ' ' THR . . . . . 0.582 HG22 ' O ' ' A' ' 125' ' ' SER . 1.6 t -93.42 -10.16 36.11 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 108.656 -0.868 . . . . 73.21 108.656 -179.753 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . 0.458 HH12 HD11 ' A' ' 136' ' ' LEU . 6.3 ptp180 -127.25 -42.56 1.68 Allowed 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 115.315 -0.857 . . . . 72.04 111.343 -178.016 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 12.1 m120 -71.9 -25.48 61.94 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.334 -0.394 . . . . 71.52 110.471 176.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 131' ' ' ASN . . . . . 0.694 ' HB3' ' O ' ' A' ' 127' ' ' ALA . 7.5 t30 -103.79 -40.34 6.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.09 -0.505 . . . . 72.12 110.689 -179.712 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . 0.49 ' HB ' ' O ' ' A' ' 128' ' ' THR . 22.8 t -103.59 144.2 14.43 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.206 0 CA-C-N 116.05 -0.523 . . . . 70.22 110.112 -177.111 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -80.25 103.94 10.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.073 0.463 . . . . 45.42 111.48 -175.37 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . 0.597 HG13 HG13 ' A' ' 97' ' ' VAL . 11.0 t -115.08 113.83 44.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.828 -0.624 . . . . 75.02 110.172 174.694 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.48 97.4 10.46 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.402 -0.592 . . . . 72.41 109.402 -179.878 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.458 HD11 HH12 ' A' ' 129' ' ' ARG . 53.0 mt -75.13 122.27 23.34 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 121.13 0.491 . . . . 50.04 110.673 178.567 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . 0.467 ' O ' ' HA ' ' A' ' 100' ' ' ARG . 0.1 OUTLIER -133.73 133.73 56.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.448 -0.796 . . . . 74.42 110.052 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . 0.583 HG12 HG21 ' A' ' 115' ' ' VAL . 3.3 m -101.22 139.05 23.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.03 -0.532 . . . . 53.11 110.351 -177.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.314 -0.945 0 CA-C-N 115.744 -0.662 . . . . 73.13 110.898 -177.136 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 28.5 ptm . . . . . 0 C--O 1.235 0.317 0 CA-C-O 120.912 0.387 . . . . 72.42 110.734 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 2' ' ' ASN . . . . . 0.455 ' O ' ' HD2' ' A' ' 87' ' ' PRO . 43.2 t30 -100.36 86.71 3.24 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.791 -0.641 . . . . 61.35 109.579 178.674 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . 0.52 HG21 ' HB2' ' B' ' 6' ' ' LYS . 29.0 mm -65.41 123.84 19.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 115.705 -0.68 . . . . 72.42 111.267 178.688 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.605 ' HG ' ' HD3' ' A' ' 87' ' ' PRO . 91.8 mt -80.71 -43.71 19.86 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.616 -0.72 . . . . 75.25 110.168 176.872 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 5' ' ' TYR . . . . . . . . . . . . . 52.9 t80 -142.25 132.44 24.77 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 116.157 -0.474 . . . . 75.45 110.714 -178.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . 0.619 ' HD3' ' HG2' ' A' ' 82' ' ' GLU . 32.1 ttmt -138.62 145.84 41.0 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.941 0.401 . . . . 65.01 111.019 178.217 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 9.3 t -137.51 161.08 37.33 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.484 -0.78 . . . . 72.52 108.979 176.779 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . 0.462 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . . . -126.09 149.25 49.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.306 0.574 . . . . 64.22 112.031 -173.082 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . 0.579 ' HA ' ' H ' ' B' ' 22' ' ' HIS . . . -140.78 155.96 46.28 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.272 -0.876 . . . . 31.45 108.93 175.509 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . 0.544 ' HA ' ' HA ' ' A' ' 80' ' ' THR . 9.0 t -138.68 128.43 24.98 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 108.65 -0.871 . . . . 64.31 108.65 -178.029 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 50.6 m -119.09 113.72 21.37 Favored 'General case' 0 C--N 1.314 -0.967 0 CA-C-N 115.892 -0.595 . . . . 74.14 111.001 -173.634 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . 0.455 ' HB ' ' HE ' ' B' ' 18' ' ' ARG . 3.5 m -95.84 157.7 15.78 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 116.03 -0.532 . . . . 53.42 110.546 -179.495 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -92.24 74.15 1.44 Allowed Glycine 0 N--CA 1.448 -0.543 0 N-CA-C 111.425 -0.67 . . . . 71.12 111.425 174.152 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -58.02 -99.44 0.01 OUTLIER Glycine 0 C--N 1.339 0.745 0 C-N-CA 121.03 -0.605 . . . . 73.4 112.548 179.459 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 16.1 tpp180 -88.8 -55.1 3.84 Favored 'General case' 0 C--N 1.329 -0.313 0 O-C-N 122.49 -0.418 . . . . 65.14 109.941 174.207 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 16' ' ' ASP . . . . . 0.556 ' HA ' ' HE2' ' A' ' 63' ' ' LYS . 12.8 t70 -125.56 -42.8 1.92 Allowed 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.72 -0.474 . . . . 65.33 109.72 177.816 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -164.86 154.86 25.92 Favored Glycine 0 C--N 1.337 0.61 0 C-N-CA 120.294 -0.955 . . . . 74.22 111.952 164.401 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 18' ' ' ARG . . . . . 0.491 ' HA ' ' HA ' ' B' ' 29' ' ' LYS . 14.8 ttp180 -137.73 148.18 45.39 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.94 -0.393 . . . . 74.4 109.94 176.195 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 19' ' ' ALA . . . . . 0.475 ' HB2' ' HB2' ' A' ' 56' ' ' ALA . . . -137.7 123.93 20.5 Favored 'General case' 0 C--O 1.236 0.364 0 N-CA-C 109.968 -0.382 . . . . 64.21 109.968 178.789 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 23.3 m -131.3 114.66 15.3 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.461 -0.336 . . . . 75.11 110.927 -175.177 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 21' ' ' SER . . . . . 0.53 ' HB3' ' N ' ' B' ' 26' ' ' LEU . 36.7 t -68.92 110.72 4.55 Favored 'General case' 0 C--O 1.248 1.017 0 N-CA-C 107.537 -1.283 . . . . 74.21 107.537 175.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 22' ' ' HIS . . . . . 0.579 ' H ' ' HA ' ' B' ' 9' ' ' ALA . 37.9 t60 -51.09 -28.34 10.35 Favored 'General case' 0 N--CA 1.467 0.418 0 O-C-N 125.926 2.016 . . . . 73.12 112.453 -167.521 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -80.51 23.91 0.49 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.225 0.536 . . . . 63.54 110.089 -176.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 24' ' ' GLN . . . . . 0.439 ' H ' ' C ' ' B' ' 22' ' ' HIS . 27.8 mm-40 62.33 21.27 12.42 Favored 'General case' 0 C--N 1.341 0.237 0 CA-C-N 115.339 -0.846 . . . . 71.43 110.202 178.466 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . 0.426 ' HA ' ' HD3' ' B' ' 25' ' ' LYS . 29.7 mmtp -93.52 -20.53 20.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.242 -0.89 . . . . 41.25 111.658 -177.415 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . 0.53 ' N ' ' HB3' ' B' ' 21' ' ' SER . 58.1 tp -148.38 145.11 27.92 Favored 'General case' 0 C--O 1.221 -0.401 0 C-N-CA 119.806 -0.758 . . . . 71.52 110.838 175.877 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -156.17 91.83 1.29 Allowed 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.076 -0.713 . . . . 53.33 109.076 174.638 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 4.9 m -132.88 175.43 11.42 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.315 0 CA-C-N 116.004 -0.543 . . . . 74.12 111.28 -178.127 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.491 ' HA ' ' HA ' ' B' ' 18' ' ' ARG . 15.1 tttm -143.25 138.91 29.96 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.754 -0.657 . . . . 64.31 110.782 -174.507 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . 0.714 ' HA ' ' H ' ' B' ' 44' ' ' THR . 0.0 OUTLIER -124.93 166.84 15.58 Favored 'General case' 0 C--O 1.254 1.313 0 CA-C-O 121.17 0.51 . . . . 72.32 110.988 179.478 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 31' ' ' SER . . . . . 0.525 ' HA ' ' HB3' ' B' ' 16' ' ' ASP . 46.4 m -155.41 123.79 5.92 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 115.158 -0.928 . . . . 62.35 110.707 -175.263 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.44 118.28 35.64 Favored Pre-proline 0 C--O 1.239 0.547 0 CA-C-N 116.02 -0.537 . . . . 75.13 110.409 177.273 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 33' ' ' PRO . . . . . 0.403 ' HG2' HD21 ' B' ' 45' ' ' ASN . 82.1 Cg_exo -49.14 128.85 20.62 Favored 'Trans proline' 0 C--N 1.351 0.674 0 C-N-CA 122.784 2.322 . . . . 71.3 111.543 177.82 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 34' ' ' ARG . . . . . 0.466 ' HA ' ' H ' ' B' ' 38' ' ' GLY . 51.3 ttt180 -64.07 -12.45 39.08 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.369 -0.378 . . . . 71.43 111.207 -173.185 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 43.9 mm-40 -47.98 -39.8 20.57 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 121.443 0.64 . . . . 72.42 110.845 174.824 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 24.1 mt -97.98 11.04 38.82 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 114.977 -1.01 . . . . 63.52 111.108 -171.155 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 88.3 58.19 1.79 Allowed Glycine 0 N--CA 1.452 -0.277 0 CA-C-N 115.91 -0.587 . . . . 51.22 111.68 -177.077 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . 0.466 ' H ' ' HA ' ' B' ' 34' ' ' ARG . . . -130.68 -136.44 3.97 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 121.177 -0.535 . . . . 64.12 111.999 -177.872 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -111.65 -24.23 10.2 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.676 0.274 . . . . 71.25 111.475 -176.802 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 55.58 29.19 53.4 Favored Glycine 0 CA--C 1.522 0.515 0 C-N-CA 121.365 -0.445 . . . . 53.13 113.164 -175.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -74.44 171.85 13.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.856 0.36 . . . . 45.11 111.169 -178.776 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -72.49 82.29 1.08 Allowed 'General case' 0 C--O 1.235 0.309 0 CA-C-O 121.908 0.861 . . . . 74.14 110.272 177.386 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -145.4 -170.98 14.67 Favored Glycine 0 C--N 1.316 -0.546 0 CA-C-N 114.953 -1.021 . . . . 72.12 111.226 175.736 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 44' ' ' THR . . . . . 0.714 ' H ' ' HA ' ' B' ' 30' ' ' LEU . 15.3 t -114.29 -179.1 3.53 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.865 -0.42 . . . . 35.03 109.865 178.564 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 45' ' ' ASN . . . . . 0.486 ' HB3' ' OE1' ' B' ' 47' ' ' GLU . 5.0 m120 -94.96 135.94 23.2 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 71.14 110.99 -177.211 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 46' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_endo -68.6 -44.93 2.71 Favored 'Trans proline' 0 C--N 1.348 0.551 0 C-N-CA 122.627 2.218 . . . . 54.41 112.345 179.764 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 47' ' ' GLU . . . . . 0.486 ' OE1' ' HB3' ' B' ' 45' ' ' ASN . 0.5 OUTLIER -72.06 -30.22 64.93 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-O 121.058 0.456 . . . . 73.03 109.9 -178.352 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . 0.69 ' HA ' HE21 ' B' ' 48' ' ' GLN . 0.0 OUTLIER -66.37 -40.73 89.94 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 115.939 -0.573 . . . . 65.22 110.046 172.534 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -59.06 -47.92 83.48 Favored 'General case' 0 C--O 1.238 0.467 0 CA-C-N 115.592 -0.731 . . . . 73.15 109.206 177.726 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 50' ' ' PHE . . . . . 0.404 ' CG ' ' HE1' ' A' ' 124' ' ' TYR . 78.5 t80 -59.73 -45.32 92.54 Favored 'General case' 0 C--O 1.226 -0.141 0 CA-C-N 115.832 -0.622 . . . . 74.53 110.556 175.583 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -53.28 -52.87 57.68 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.171 -0.468 . . . . 63.22 111.003 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 52' ' ' ALA . . . . . 0.645 ' HB1' ' HB1' ' A' ' 19' ' ' ALA . . . -59.84 -50.37 74.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.716 -0.674 . . . . 74.31 111.088 179.688 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . 0.543 ' HA3' HD12 ' A' ' 49' ' ' LEU . . . -62.63 -39.44 97.9 Favored Glycine 0 C--N 1.332 0.326 0 C-N-CA 121.119 -0.562 . . . . 73.22 112.705 -178.449 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -70.25 -48.17 58.08 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 122.965 0.506 . . . . 73.14 110.562 -178.427 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 57.3 p -61.98 -41.02 97.56 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.794 0.331 . . . . 71.55 110.228 -179.381 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 56' ' ' ALA . . . . . 0.427 ' HB2' ' HB2' ' A' ' 19' ' ' ALA . . . -65.05 -45.12 86.67 Favored 'General case' 0 CA--C 1.528 0.1 0 CA-C-N 116.16 -0.473 . . . . 72.32 110.272 175.346 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 57' ' ' CYS . . . . . . . . . . . . . 53.7 t -57.97 -36.56 72.77 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.989 -0.551 . . . . 72.4 110.187 177.611 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 19.9 t80 -64.17 -32.8 74.51 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 116.135 -0.484 . . . . 52.32 109.821 -179.668 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . 0.423 HD21 HG23 ' B' ' 79' ' ' VAL . 95.2 mt -69.0 -45.92 69.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.736 -0.665 . . . . 64.41 109.997 175.749 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 16.2 m -60.56 -35.33 75.78 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 116.029 -0.532 . . . . 73.23 110.416 176.665 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.44 -45.91 81.98 Favored 'General case' 0 C--N 1.333 -0.114 0 CA-C-N 115.981 -0.554 . . . . 44.1 110.14 176.768 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 62' ' ' MET . . . . . 0.776 ' HG2' HD12 ' B' ' 73' ' ' LEU . 0.0 OUTLIER -53.15 -53.17 54.37 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 121.716 0.769 . . . . 71.0 110.188 174.212 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . 0.598 ' N ' ' SD ' ' B' ' 62' ' ' MET . 27.3 tptp -52.83 -51.91 59.07 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 114.315 -1.312 . . . . 72.03 111.452 178.79 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 73.0 t80 -62.65 -43.33 99.09 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-O 120.81 0.338 . . . . 73.11 110.126 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 2.6 t -50.73 -54.1 10.99 Favored 'Isoleucine or valine' 0 C--O 1.234 0.286 0 CA-C-N 115.73 -0.668 . . . . 75.05 110.464 175.812 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 66' ' ' ALA . . . . . 0.583 ' HA ' ' HG3' ' B' ' 71' ' ' GLN . . . -62.39 -32.71 73.57 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.595 -0.729 . . . . 74.13 109.772 -178.56 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -70.91 -27.84 71.59 Favored Glycine 0 N--CA 1.448 -0.52 0 CA-C-N 114.891 -1.05 . . . . 75.04 112.646 -178.2 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 68' ' ' GLN . . . . . 0.404 HE21 ' HB2' ' B' ' 68' ' ' GLN . 2.2 pt20 -96.26 -22.89 16.96 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-O 121.189 0.518 . . . . 64.5 109.812 -177.856 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 69' ' ' ASN . . . . . 0.449 ' CB ' ' HG2' ' B' ' 71' ' ' GLN . 25.5 m-80 -94.41 3.48 55.12 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.426 -0.806 . . . . 65.21 111.245 -179.374 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 8.1 mptt 59.78 29.0 18.56 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-O 121.284 0.564 . . . . 73.12 110.821 176.192 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . 0.583 ' HG3' ' HA ' ' B' ' 66' ' ' ALA . 2.6 pt20 -124.13 169.88 11.26 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.652 -0.703 . . . . 74.24 110.385 -174.851 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 14.6 p -128.25 128.22 44.27 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.382 -0.372 . . . . 74.12 110.854 176.095 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 73' ' ' LEU . . . . . 0.776 HD12 ' HG2' ' B' ' 62' ' ' MET . 35.8 mt -102.59 155.11 36.94 Favored Pre-proline 0 C--N 1.328 -0.364 0 N-CA-C 108.833 -0.803 . . . . 75.15 108.833 177.396 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 74' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_exo -55.66 105.74 0.17 Allowed 'Trans proline' 0 C--N 1.348 0.541 0 C-N-CA 122.391 2.061 . . . . 62.01 112.347 -177.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -77.01 -5.4 48.58 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.336 -0.393 . . . . 71.53 111.896 -177.148 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -87.52 14.54 8.04 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-O 121.752 0.787 . . . . 60.22 110.291 -178.308 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 77' ' ' THR . . . . . 0.453 ' HB ' HD12 ' B' ' 103' ' ' LEU . 4.2 t -78.71 169.56 18.04 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.29 -0.868 . . . . 73.25 112.027 -177.016 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 23.3 m -150.4 149.24 29.78 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-N 115.622 -0.717 . . . . 71.23 109.36 177.088 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 79' ' ' VAL . . . . . 0.423 HG23 HD21 ' B' ' 59' ' ' LEU . 93.6 t -124.83 147.26 29.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 N-CA-C 109.66 -0.496 . . . . 54.24 109.66 179.665 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 31.5 m -132.02 111.73 11.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.864 0.364 . . . . 72.42 110.3 173.624 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -95.21 104.61 16.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.899 -0.591 . . . . 73.43 110.262 179.486 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 82' ' ' GLU . . . . . 0.538 ' HA ' ' HA ' ' A' ' 8' ' ' ALA . 34.0 tt0 -103.52 109.59 21.3 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.862 -0.422 . . . . 71.23 109.862 -179.658 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . 0.431 HG12 ' HB ' ' B' ' 97' ' ' VAL . 18.6 m -104.55 143.19 16.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.866 0.365 . . . . 71.44 111.038 -175.684 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 84' ' ' GLY . . . . . 0.412 ' HA2' ' HA ' ' A' ' 6' ' ' LYS . . . -140.52 161.67 26.57 Favored Glycine 0 N--CA 1.441 -1.03 0 N-CA-C 111.524 -0.63 . . . . 52.45 111.524 178.07 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -140.64 132.01 29.81 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.84 0 N-CA-C 109.625 -0.509 . . . . 73.1 109.625 -177.663 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -144.03 169.84 26.08 Favored Glycine 0 CA--C 1.518 0.24 0 N-CA-C 110.948 -0.861 . . . . 52.3 110.948 178.723 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 87' ' ' PRO . . . . . 0.579 ' HD3' ' HG ' ' A' ' 4' ' ' LEU . 73.3 Cg_endo -75.11 138.87 23.33 Favored 'Trans proline' 0 C--O 1.234 0.3 0 C-N-CA 122.18 1.92 . . . . 61.3 112.211 -177.888 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 88' ' ' ASN . . . . . . . . . . . . . 53.7 t-20 -94.46 137.52 33.49 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.022 -0.732 . . . . 72.3 109.022 178.383 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -66.25 -12.59 57.21 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 121.149 0.499 . . . . 65.22 110.867 -177.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -67.44 -19.88 65.43 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-O 121.659 0.742 . . . . 74.05 110.235 173.129 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.43 35.12 3.42 Favored Glycine 0 N--CA 1.452 -0.24 0 CA-C-N 115.144 -0.934 . . . . 72.2 112.283 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . -145.93 -140.59 3.52 Favored Glycine 0 N--CA 1.451 -0.308 0 N-CA-C 111.091 -0.804 . . . . 70.13 111.091 177.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 93' ' ' PHE . . . . . . . . . . . . . 27.3 m-85 -117.17 166.89 11.71 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.933 -0.395 . . . . 73.12 109.933 175.417 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -145.72 130.8 18.34 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.639 -0.71 . . . . 62.21 109.503 -178.802 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -99.91 127.06 46.13 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-O 121.095 0.474 . . . . 74.21 111.066 -175.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 96' ' ' ASP . . . . . 0.445 ' HB2' ' SD ' ' A' ' 1' ' ' MET . 32.5 t70 -114.69 110.27 19.49 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.174 -0.921 . . . . 73.53 109.021 177.109 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 97' ' ' VAL . . . . . 0.627 HG13 HG22 ' B' ' 134' ' ' VAL . 0.2 OUTLIER -121.3 119.19 58.43 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.956 0 CA-C-O 121.407 0.622 . . . . 65.34 110.574 -176.681 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 98' ' ' GLU . . . . . 0.514 ' HG2' HG11 ' B' ' 137' ' ' VAL . 34.2 tt0 -107.15 118.76 37.57 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.192 -0.913 . . . . 74.42 109.818 -174.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 77.1 mt -103.88 112.1 24.92 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 120.647 0.261 . . . . 61.12 110.387 -177.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 100' ' ' ARG . . . . . 0.536 ' HA ' ' O ' ' B' ' 137' ' ' VAL . 70.3 mtt180 -99.54 120.48 39.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.135 -0.484 . . . . 64.11 110.717 -177.332 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 101' ' ' VAL . . . . . . . . . . . . . 94.8 t -109.72 103.37 15.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.955 -0.566 . . . . 60.12 110.922 -176.809 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 102' ' ' ALA . . . . . 0.542 ' HA ' ' HB3' ' B' ' 139' ' ' ALA . . . -92.51 101.17 13.61 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.735 -0.839 . . . . 53.32 108.735 172.867 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 103' ' ' LEU . . . . . 0.555 HD12 ' HD2' ' B' ' 104' ' ' PRO . 17.1 tp -120.19 107.86 38.95 Favored Pre-proline 0 C--N 1.33 -0.271 0 N-CA-C 109.182 -0.673 . . . . 72.24 109.182 -173.505 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 104' ' ' PRO . . . . . 0.555 ' HD2' HD12 ' B' ' 103' ' ' LEU . 80.9 Cg_endo -73.59 156.67 49.33 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 123.201 2.601 . . . . 74.24 113.109 -171.823 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 105' ' ' GLY . . . . . . . . . . . . . . . 71.74 15.67 75.87 Favored Glycine 0 C--N 1.334 0.434 0 CA-C-N 115.951 -0.568 . . . . 72.34 112.326 179.398 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 106' ' ' LEU . . . . . 0.508 ' CD2' HD23 ' B' ' 103' ' ' LEU . 23.9 tp -138.16 141.12 40.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.688 0.28 . . . . 60.53 111.195 -172.626 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -76.63 147.14 37.73 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 115.913 -0.585 . . . . 63.12 110.207 174.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -64.35 -36.3 83.69 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.824 0.345 . . . . 34.32 110.932 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -59.02 -51.64 69.18 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 116.132 -0.485 . . . . 64.51 110.779 179.799 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 110' ' ' ALA . . . . . 0.47 ' O ' HG22 ' B' ' 113' ' ' THR . . . -68.98 -37.5 78.8 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-O 121.12 0.486 . . . . 72.03 110.309 177.373 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 111' ' ' ALA . . . . . 0.503 ' HA ' HD21 ' B' ' 106' ' ' LEU . . . -55.53 -36.15 66.43 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.745 -0.661 . . . . 64.14 110.689 179.084 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 112' ' ' LYS . . . . . . . . . . . . . 50.6 mttm -54.45 -49.26 70.46 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.2 -0.454 . . . . 74.45 110.893 176.352 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 113' ' ' THR . . . . . 0.47 HG22 ' O ' ' B' ' 110' ' ' ALA . 1.1 t -74.87 -33.84 62.14 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 121.105 -0.238 . . . . 72.03 110.766 -175.614 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 46.0 mt -67.11 -48.74 67.21 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 116.581 -0.281 . . . . 70.23 110.368 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 115' ' ' VAL . . . . . 0.551 ' O ' ' HB2' ' B' ' 119' ' ' HIS . 86.4 t -65.26 -34.51 70.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.198 -0.455 . . . . 63.55 109.94 176.671 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -62.22 -53.63 52.41 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 116.385 -0.37 . . . . 75.43 111.269 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 117' ' ' ARG . . . . . 0.438 ' HG2' ' O ' ' B' ' 113' ' ' THR . 5.2 ptm180 -68.36 -38.2 81.18 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 116.13 -0.486 . . . . 70.2 110.267 -177.372 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -61.12 -39.66 90.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.338 0.589 . . . . 61.11 109.522 174.6 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 119' ' ' HIS . . . . . 0.551 ' HB2' ' O ' ' B' ' 115' ' ' VAL . 2.8 t-80 -78.69 10.88 2.89 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 115.241 -0.89 . . . . 74.31 110.574 178.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 15.8 m170 -108.56 -40.32 5.14 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-O 120.684 0.278 . . . . 61.52 110.433 173.243 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 35.0 m -84.54 -37.56 12.78 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.292 0 N-CA-C 112.023 0.379 . . . . 63.42 112.023 -175.193 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 122' ' ' CYS . . . . . . . . . . . . . 81.9 m -65.49 143.24 98.62 Favored Pre-proline 0 CA--C 1.534 0.361 0 CA-C-N 116.703 -0.226 . . . . 74.53 111.514 -174.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 123' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_endo -65.51 166.51 19.46 Favored 'Trans proline' 0 C--N 1.354 0.851 0 C-N-CA 122.671 2.247 . . . . 65.25 111.179 176.755 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 124' ' ' TYR . . . . . . . . . . . . . 85.3 m-85 . . . . . 0 N--CA 1.474 0.77 0 C-N-CA 123.163 0.585 . . . . 65.35 110.747 -175.487 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 128' ' ' THR . . . . . 0.561 ' O ' HG23 ' B' ' 134' ' ' VAL . 1.4 t . . . . . 0 N--CA 1.452 -0.336 0 CA-C-O 120.683 0.278 . . . . 55.14 110.37 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 129' ' ' ARG . . . . . . . . . . . . . 15.6 ptm180 -109.85 -41.72 4.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.76 0.314 . . . . 75.21 110.329 -177.392 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 130' ' ' ASN . . . . . . . . . . . . . 43.5 m-80 -78.48 -46.79 18.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.186 0.517 . . . . 74.14 109.981 176.457 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 131' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -82.83 -43.94 16.07 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 115.546 -0.752 . . . . 75.43 110.61 -176.656 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 132' ' ' VAL . . . . . 0.466 HG12 ' N ' ' B' ' 133' ' ' ALA . 21.3 t -112.08 167.93 5.27 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.459 0 CA-C-N 116.307 -0.406 . . . . 52.13 110.112 -174.186 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 133' ' ' ALA . . . . . 0.466 ' N ' HG12 ' B' ' 132' ' ' VAL . . . -98.44 88.98 4.27 Favored 'General case' 0 C--O 1.243 0.715 0 CA-C-O 121.533 0.682 . . . . 72.23 112.043 -176.805 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 134' ' ' VAL . . . . . 0.627 HG22 HG13 ' B' ' 97' ' ' VAL . 86.8 t -103.03 126.85 57.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.062 -0.972 . . . . 61.1 110.613 173.252 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 26.3 ttp-105 -101.39 110.75 22.81 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.804 -0.635 . . . . 74.32 109.561 176.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 136' ' ' LEU . . . . . 0.449 HD11 ' CG ' ' B' ' 119' ' ' HIS . 64.0 mt -80.47 117.36 21.13 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 121.291 0.567 . . . . 72.41 110.631 179.816 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 137' ' ' VAL . . . . . 0.536 ' O ' ' HA ' ' B' ' 100' ' ' ARG . 0.1 OUTLIER -121.88 115.52 46.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.296 -0.866 . . . . 72.22 109.592 179.863 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 138' ' ' VAL . . . . . . . . . . . . . 11.4 m -97.79 138.83 21.46 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-N 115.72 -0.673 . . . . 70.52 109.857 -178.054 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 139' ' ' ALA . . . . . 0.542 ' HB3' ' HA ' ' B' ' 102' ' ' ALA . . . . . . . . 0 C--N 1.309 -1.158 0 CA-C-O 118.325 -0.845 . . . . 71.35 110.256 -173.018 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.5 ptt? . . . . . 0 N--CA 1.484 1.246 0 CA-C-O 120.478 0.18 . . . . 71.43 110.681 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 50.9 t30 -77.68 71.39 4.16 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 121.249 0.547 . . . . 75.52 110.744 -179.014 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.534 HG21 ' HB2' ' A' ' 6' ' ' LYS . 34.2 mm -59.54 119.8 4.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 115.762 -0.654 . . . . 51.02 111.218 174.533 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.614 ' HG ' ' HD3' ' B' ' 87' ' ' PRO . 93.0 mt -78.79 -45.22 21.48 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.329 -0.851 . . . . 74.21 110.239 177.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 27.7 t80 -137.37 133.82 35.26 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.139 -0.482 . . . . 54.43 109.83 -179.561 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.534 ' HB2' HG21 ' A' ' 3' ' ' ILE . 36.4 ttmt -136.91 144.63 43.57 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.15 -0.477 . . . . 62.42 110.724 178.767 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 9.3 t -145.35 145.14 31.08 Favored 'General case' 0 C--O 1.237 0.422 0 N-CA-C 109.209 -0.663 . . . . 73.02 109.209 177.434 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -120.58 136.27 54.85 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-O 121.122 0.487 . . . . 64.34 111.178 -174.585 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -127.93 129.41 46.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.982 -0.554 . . . . 65.14 110.394 179.329 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 7.9 t -96.1 121.38 37.81 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.169 0.509 . . . . 73.43 109.643 179.36 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 33.0 p -112.3 115.2 28.38 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.02 -0.536 . . . . 71.32 110.728 -179.317 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.9 m -88.29 166.95 13.95 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.622 -0.511 . . . . 72.12 109.622 176.713 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -80.62 8.34 55.22 Favored Glycine 0 CA--C 1.522 0.522 0 C-N-CA 120.807 -0.711 . . . . 62.44 113.171 179.058 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 33.23 -133.32 0.27 Allowed Glycine 0 C--N 1.344 1.006 0 O-C-N 123.576 0.221 . . . . 62.02 112.717 -174.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 29.2 ttm180 -88.93 -34.49 16.9 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 108.098 -1.075 . . . . 73.04 108.098 162.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.465 ' HB3' ' HA ' ' A' ' 31' ' ' SER . 40.6 t0 -125.9 -42.44 1.9 Allowed 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 115.474 -0.784 . . . . 74.22 109.726 170.641 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -164.3 162.62 35.48 Favored Glycine 0 C--N 1.344 1.009 0 C-N-CA 120.129 -1.034 . . . . 73.12 112.338 169.012 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.693 ' HA ' ' HA ' ' A' ' 29' ' ' LYS . 57.5 ttp180 -149.38 144.51 26.44 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.482 -0.562 . . . . 73.24 109.482 175.771 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.696 ' HB1' ' HB1' ' B' ' 52' ' ' ALA . . . -134.66 123.57 23.95 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 110.167 -0.308 . . . . 71.12 110.167 179.337 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 47.1 m -135.93 112.46 9.99 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.177 -0.465 . . . . 63.53 110.163 -178.559 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.561 ' HB3' ' N ' ' A' ' 26' ' ' LEU . 23.3 t -70.44 107.24 3.73 Favored 'General case' 0 C--O 1.242 0.663 0 N-CA-C 106.793 -1.558 . . . . 62.3 106.793 176.008 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.407 ' C ' ' H ' ' A' ' 24' ' ' GLN . 80.0 t60 -55.95 -29.08 59.62 Favored 'General case' 0 N--CA 1.472 0.659 0 O-C-N 125.756 1.91 . . . . 71.44 112.772 -164.442 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -80.39 17.82 1.01 Allowed 'General case' 0 C--N 1.317 -0.837 0 CA-C-O 121.375 0.607 . . . . 73.43 110.221 178.889 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.407 ' H ' ' C ' ' A' ' 22' ' ' HIS . 25.0 mm-40 72.08 23.75 3.36 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 114.495 -1.229 . . . . 72.53 110.488 172.653 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.8 mtmp? -86.96 -16.59 35.38 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-N 115.662 -0.699 . . . . 73.44 111.499 175.512 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.561 ' N ' ' HB3' ' A' ' 21' ' ' SER . 42.8 tp -157.44 146.61 19.93 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 119.906 -0.718 . . . . 74.42 111.556 177.617 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -156.54 98.17 1.79 Allowed 'General case' 0 N--CA 1.465 0.298 0 O-C-N 123.61 0.569 . . . . 74.13 110.627 173.271 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.456 ' O ' ' HG3' ' A' ' 18' ' ' ARG . 2.7 m -147.52 174.6 1.78 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.265 0 CA-C-O 121.027 0.441 . . . . 62.12 110.801 174.684 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.693 ' HA ' ' HA ' ' A' ' 18' ' ' ARG . 0.6 OUTLIER -137.9 144.72 41.45 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.76 -0.655 . . . . 62.42 110.077 -179.39 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.566 ' N ' HD13 ' A' ' 30' ' ' LEU . 0.0 OUTLIER -131.4 173.7 10.82 Favored 'General case' 0 C--O 1.255 1.348 0 CA-C-O 121.646 0.736 . . . . 64.12 112.216 -175.755 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.465 ' HA ' ' HB3' ' A' ' 16' ' ' ASP . 35.7 t -162.96 138.14 6.69 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 114.296 -1.32 . . . . 75.34 109.706 -177.716 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.58 149.28 95.72 Favored Pre-proline 0 C--N 1.327 -0.41 0 CA-C-N 116.085 -0.507 . . . . 52.21 110.405 177.12 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.598 ' HD3' ' HB2' ' A' ' 45' ' ' ASN . 21.1 Cg_endo -60.89 116.3 3.27 Favored 'Trans proline' 0 C--N 1.348 0.547 0 C-N-CA 122.298 1.998 . . . . 73.33 111.61 -176.337 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.444 ' HG2' ' N ' ' A' ' 40' ' ' GLY . 0.0 OUTLIER -58.09 -20.65 41.39 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 116.43 -0.35 . . . . 50.12 110.333 -179.669 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 26.3 mm-40 -46.42 -47.68 18.95 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.651 -0.704 . . . . 75.14 110.847 174.728 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 7.7 mp -103.88 24.43 11.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.503 -0.771 . . . . 63.44 110.545 -177.063 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 79.18 32.0 40.62 Favored Glycine 0 C--N 1.333 0.382 0 CA-C-N 115.984 -0.553 . . . . 72.22 112.924 178.173 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -53.73 -70.59 0.89 Allowed Glycine 0 CA--C 1.523 0.554 0 C-N-CA 121.53 -0.366 . . . . 73.44 113.542 -179.612 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.52 ' HB2' ' HE3' ' B' ' 63' ' ' LYS . . . -167.69 -61.1 0.03 OUTLIER 'General case' 0 C--O 1.232 0.158 0 CA-C-O 120.876 0.369 . . . . 63.22 111.207 178.543 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.444 ' N ' ' HG2' ' A' ' 34' ' ' ARG . . . 126.32 57.69 0.15 Allowed Glycine 0 N--CA 1.458 0.11 0 C-N-CA 121.046 -0.597 . . . . 45.53 112.462 -175.097 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -149.75 140.37 22.56 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 110.107 -0.331 . . . . 44.21 110.107 177.375 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -73.23 88.18 1.49 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.761 0.791 . . . . 71.23 109.688 176.546 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -139.56 -167.81 11.09 Favored Glycine 0 C--N 1.315 -0.631 0 CA-C-N 115.5 -0.773 . . . . 55.55 111.928 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.558 ' O ' ' HB2' ' A' ' 30' ' ' LEU . 53.6 m -92.83 135.63 33.96 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.61 -0.515 . . . . 74.01 109.61 179.405 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.598 ' HB2' ' HD3' ' A' ' 33' ' ' PRO . 7.4 p-10 -79.02 129.25 73.68 Favored Pre-proline 0 C--O 1.237 0.419 0 N-CA-C 109.215 -0.661 . . . . 72.33 109.215 177.181 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 45' ' ' ASN . 77.2 Cg_exo -49.44 -36.58 39.51 Favored 'Trans proline' 0 C--N 1.349 0.591 0 C-N-CA 123.214 2.609 . . . . 63.04 112.913 -174.324 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.53 ' CD ' ' H ' ' A' ' 47' ' ' GLU . 4.6 mp0 -56.84 -48.62 77.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.735 -0.666 . . . . 62.13 109.919 -179.736 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.514 ' OE1' ' HB2' ' B' ' 21' ' ' SER . 1.0 OUTLIER -67.96 -41.46 82.41 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.858 -0.61 . . . . 72.35 110.194 -178.956 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -54.88 -48.85 72.44 Favored 'General case' 0 C--O 1.238 0.479 0 CA-C-N 115.973 -0.558 . . . . 71.11 109.533 -178.356 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.48 ' CG ' ' HE1' ' B' ' 124' ' ' TYR . 73.1 t80 -67.87 -43.54 79.18 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.638 -0.71 . . . . 64.45 111.022 179.31 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.418 ' O ' ' HB2' ' A' ' 55' ' ' SER . . . -51.17 -53.6 33.16 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.813 0.339 . . . . 52.03 111.023 176.108 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.518 ' HB1' ' HB1' ' B' ' 19' ' ' ALA . . . -61.66 -50.11 73.81 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-N 115.908 -0.587 . . . . 51.43 111.132 -178.712 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.485 ' O ' ' SG ' ' A' ' 57' ' ' CYS . . . -58.44 -56.19 26.61 Favored Glycine 0 C--O 1.226 -0.364 0 CA-C-N 115.656 -0.702 . . . . 45.35 111.973 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 7.0 t80 -60.91 -37.04 80.88 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 122.988 0.515 . . . . 71.4 110.898 -178.722 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.418 ' HB2' ' O ' ' A' ' 51' ' ' ALA . 8.6 t -60.74 -53.58 55.63 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.223 0.535 . . . . 50.31 109.726 179.081 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.543 ' HB1' HD21 ' B' ' 30' ' ' LEU . . . -67.35 -33.7 75.77 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.772 -0.649 . . . . 72.41 110.738 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.639 ' SG ' ' HB3' ' B' ' 46' ' ' PRO . 80.5 m -66.57 -36.42 82.61 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.998 -0.546 . . . . 74.4 110.024 177.713 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 36.1 t80 -69.7 -37.71 76.68 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.097 -0.705 . . . . 64.12 109.097 -179.589 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.468 ' O ' ' HG3' ' A' ' 63' ' ' LYS . 49.6 tp -65.31 -45.85 82.7 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 115.589 -0.732 . . . . 74.12 110.29 176.346 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 32.8 t -62.06 -48.6 79.53 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 116.045 -0.525 . . . . 74.4 110.234 178.779 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.452 ' O ' HG23 ' A' ' 65' ' ' VAL . . . -59.57 -40.62 87.93 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.047 -0.524 . . . . 64.15 110.229 177.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . 0.439 ' HG3' ' CD1' ' A' ' 73' ' ' LEU . 5.5 tpt -58.76 -35.61 73.05 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.962 -0.563 . . . . 61.32 110.182 177.658 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.529 ' NZ ' ' HA ' ' B' ' 16' ' ' ASP . 97.2 mttt -67.57 -51.95 44.47 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-O 120.903 0.382 . . . . 62.32 110.249 176.345 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.408 ' CZ ' ' HE1' ' B' ' 93' ' ' PHE . 58.9 t80 -59.87 -35.03 73.95 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 115.986 -0.552 . . . . 70.35 110.054 -178.6 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.452 HG23 ' O ' ' A' ' 61' ' ' ALA . 54.6 t -64.22 -44.13 97.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.947 -0.57 . . . . 51.41 109.767 173.46 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.59 -30.79 68.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.099 0.476 . . . . 55.45 110.087 175.159 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -70.12 -34.28 70.03 Favored Glycine 0 C--N 1.33 0.228 0 CA-C-N 115.292 -0.867 . . . . 65.01 112.108 -177.549 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -88.0 -20.35 25.94 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.642 0.734 . . . . 73.33 109.046 178.337 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.516 ' HB3' ' HG2' ' A' ' 71' ' ' GLN . 8.6 m-80 -86.95 -3.36 59.08 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 114.792 -1.095 . . . . 73.35 110.915 176.042 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 9.8 mptt 55.06 30.68 14.7 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-O 121.467 0.651 . . . . 70.5 110.903 177.711 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.59 HE22 HD21 ' A' ' 73' ' ' LEU . 2.0 pt20 -119.22 158.15 26.59 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 114.945 -1.025 . . . . 65.11 109.287 176.579 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 17.1 p -118.45 137.26 53.29 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.945 0.402 . . . . 71.13 111.297 -177.348 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.59 HD21 HE22 ' A' ' 71' ' ' GLN . 79.8 mt -109.39 138.05 20.43 Favored Pre-proline 0 CA--C 1.535 0.378 0 CA-C-N 115.939 -0.573 . . . . 63.13 109.946 179.687 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.51 ' HD2' HD11 ' A' ' 103' ' ' LEU . 35.4 Cg_exo -59.57 141.77 97.78 Favored 'Trans proline' 0 C--N 1.351 0.693 0 C-N-CA 123.164 2.576 . . . . 75.32 113.099 -179.331 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -77.25 -9.89 59.08 Favored 'General case' 0 N--CA 1.467 0.386 0 N-CA-C 112.166 0.432 . . . . 74.43 112.166 -179.3 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -89.93 17.47 6.74 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.653 0.74 . . . . 72.44 110.903 -177.625 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.516 ' HB ' HD12 ' A' ' 103' ' ' LEU . 10.0 t -86.33 168.48 13.83 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.552 -0.749 . . . . 73.42 111.372 -178.097 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.507 HG22 ' HA ' ' B' ' 12' ' ' THR . 1.0 OUTLIER -153.75 149.36 27.38 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 115.766 -0.652 . . . . 65.01 110.742 -179.164 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 74.2 t -131.92 121.99 48.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 N-CA-C 109.124 -0.695 . . . . 73.54 109.124 173.47 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.546 ' HA ' ' HA ' ' B' ' 10' ' ' THR . 16.5 m -106.18 112.54 25.62 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.602 -0.272 . . . . 61.0 110.756 -179.814 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -93.19 105.87 17.91 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.575 -0.528 . . . . 75.0 109.575 176.424 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.47 ' HA ' ' HA ' ' B' ' 8' ' ' ALA . 31.2 tt0 -104.67 107.58 18.6 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 108.677 -0.86 . . . . 74.0 108.677 -179.745 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 30.7 m -112.14 144.94 18.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 121.118 0.485 . . . . 74.25 111.811 -171.181 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.403 ' HA2' ' HA ' ' B' ' 6' ' ' LYS . . . -136.43 160.51 24.77 Favored Glycine 0 N--CA 1.438 -1.179 0 CA-C-N 115.392 -0.822 . . . . 64.22 111.712 177.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -129.81 132.55 65.77 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.777 0 N-CA-C 108.563 -0.903 . . . . 71.32 108.563 178.23 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . 0.432 ' HA2' ' HG ' ' B' ' 4' ' ' LEU . . . -149.75 169.81 29.9 Favored Glycine 0 C--N 1.329 0.15 0 O-C-N 123.689 0.618 . . . . 64.2 111.575 -176.182 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.678 ' HD3' ' HG ' ' B' ' 4' ' ' LEU . 90.9 Cg_endo -81.97 140.95 11.62 Favored 'Trans proline' 0 N--CA 1.458 -0.591 0 C-N-CA 122.297 1.998 . . . . 75.13 112.816 -177.266 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -79.07 159.39 27.56 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.422 -0.808 . . . . 63.43 109.279 175.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -57.24 -26.0 60.04 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-O 120.753 0.311 . . . . 74.31 111.486 -178.585 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -73.37 -24.41 60.32 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-O 121.186 0.517 . . . . 62.35 111.092 179.535 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.3 25.15 7.16 Favored Glycine 0 N--CA 1.453 -0.221 0 CA-C-N 115.813 -0.631 . . . . 52.42 112.029 -176.098 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . 0.472 ' O ' ' HA ' ' A' ' 87' ' ' PRO . . . -108.01 -160.65 20.67 Favored Glycine 0 C--N 1.332 0.322 0 N-CA-C 110.657 -0.977 . . . . 74.12 110.657 173.673 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 59.2 m-85 -108.83 152.28 25.1 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 117.413 0.606 . . . . 72.25 110.622 177.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -147.83 145.5 28.75 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 115.865 -0.607 . . . . 73.43 110.205 -177.792 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -104.91 149.28 25.84 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 121.175 0.512 . . . . 75.45 111.456 -176.333 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -135.26 125.58 26.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 114.961 -1.018 . . . . 62.1 109.31 -177.319 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.527 ' HB ' HG22 ' A' ' 134' ' ' VAL . 53.9 t -125.88 111.01 25.43 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.29 0 CA-C-O 120.742 0.306 . . . . 41.42 111.366 -177.258 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -93.54 108.64 20.32 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.676 -0.491 . . . . 51.52 109.676 176.471 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 71.3 mt -94.32 107.14 19.11 Favored 'General case' 0 C--O 1.237 0.423 0 CA-C-O 121.313 0.577 . . . . 73.33 110.396 179.71 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.515 ' HA ' HG13 ' A' ' 137' ' ' VAL . 34.9 ttm180 -99.64 118.44 36.18 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.021 -0.991 . . . . 73.43 110.231 -177.183 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 45.5 t -112.82 104.92 17.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 120.479 0.181 . . . . 72.23 111.233 -173.062 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -102.94 101.37 11.39 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.965 -0.383 . . . . 73.1 109.965 176.456 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.817 HD23 HD22 ' A' ' 106' ' ' LEU . 28.9 tp -114.18 120.97 37.43 Favored Pre-proline 0 C--N 1.33 -0.276 0 N-CA-C 109.302 -0.629 . . . . 73.31 109.302 179.274 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . 0.553 ' HD2' HD12 ' A' ' 103' ' ' LEU . 45.9 Cg_endo -72.23 148.99 50.72 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.522 2.148 . . . . 73.52 112.313 -177.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 74.88 15.28 80.99 Favored Glycine 0 C--N 1.332 0.327 0 CA-C-N 115.862 -0.608 . . . . 54.45 112.269 -178.695 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.817 HD22 HD23 ' A' ' 103' ' ' LEU . 44.4 tp -129.97 143.27 50.71 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 122.618 0.367 . . . . 65.03 111.356 -174.482 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -80.8 166.7 20.72 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 116.205 -0.452 . . . . 72.42 110.802 178.324 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -68.63 -44.11 74.89 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.606 -0.724 . . . . 74.35 110.37 171.182 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -64.42 -47.79 77.81 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 115.762 -0.654 . . . . 64.13 110.791 -176.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 0.574 ' O ' HG22 ' A' ' 113' ' ' THR . . . -69.15 -41.2 77.6 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.847 -0.615 . . . . 73.25 109.919 178.786 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . 0.523 ' HA ' HD21 ' A' ' 106' ' ' LEU . . . -54.53 -43.84 72.27 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.134 -0.484 . . . . 54.13 111.226 177.77 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . 0.458 ' HA ' HG11 ' A' ' 138' ' ' VAL . 44.8 mttp -53.7 -43.52 69.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.456 -0.338 . . . . 74.23 111.334 177.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . 0.574 HG22 ' O ' ' A' ' 110' ' ' ALA . 1.0 OUTLIER -74.54 -35.24 63.12 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 120.809 -0.356 . . . . 74.22 110.634 -177.231 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.413 ' HG ' ' O ' ' A' ' 110' ' ' ALA . 53.4 mt -69.35 -47.01 65.62 Favored 'General case' 0 C--O 1.231 0.119 0 CA-C-O 120.776 0.322 . . . . 61.01 110.554 -178.625 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 66.4 t -65.4 -35.25 74.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.112 -0.494 . . . . 72.22 110.016 177.706 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -59.32 -57.29 13.67 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 115.623 -0.717 . . . . 63.5 110.531 178.511 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 11.3 ptm180 -66.03 -39.47 90.2 Favored 'General case' 0 CA--C 1.528 0.115 0 CA-C-N 115.987 -0.551 . . . . 65.24 110.909 -177.263 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -60.17 -49.79 76.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.239 0.542 . . . . 63.41 110.554 178.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 83.1 t60 -71.68 -9.73 58.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.584 -0.735 . . . . 74.13 110.659 -179.738 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 4.9 t-80 -91.45 -39.67 11.84 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 115.686 -0.688 . . . . 75.14 111.04 177.436 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 31.1 m -79.4 -44.04 23.74 Favored 'Isoleucine or valine' 0 C--O 1.237 0.396 0 N-CA-C 111.974 0.361 . . . . 74.54 111.974 -173.512 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 44.9 t -150.15 84.94 5.61 Favored Pre-proline 0 CA--C 1.533 0.326 0 CA-C-O 120.826 0.346 . . . . 72.12 111.879 -175.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 95.6 Cg_endo -87.91 -178.74 2.31 Favored 'Trans proline' 0 CA--C 1.535 0.57 0 C-N-CA 122.818 2.346 . . . . 74.45 110.883 169.006 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -76.92 -8.71 57.87 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-O 121.179 0.514 . . . . 65.44 110.231 -179.697 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . 0.635 ' HB3' ' HB ' ' A' ' 128' ' ' THR . 29.2 t 179.44 153.91 0.46 Allowed 'General case' 0 C--O 1.234 0.253 0 N-CA-C 108.495 -0.928 . . . . 62.44 108.495 179.466 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' ASN . . . . . 0.407 ' OD1' ' N ' ' A' ' 127' ' ' ALA . 36.6 p30 -69.22 -31.83 70.69 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.602 0.715 . . . . 73.42 109.214 177.04 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . 0.489 ' O ' ' HB3' ' A' ' 131' ' ' ASN . . . -88.07 4.77 44.05 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.173 -0.922 . . . . 54.1 112.069 -178.461 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 128' ' ' THR . . . . . 0.635 ' HB ' ' HB3' ' A' ' 125' ' ' SER . 2.8 t -87.19 -3.75 59.07 Favored 'General case' 0 CA--C 1.513 -0.446 0 N-CA-C 107.752 -1.203 . . . . 73.21 107.752 -176.308 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 21.0 ptt180 -127.3 -42.99 1.65 Allowed 'General case' 0 N--CA 1.438 -1.036 0 CA-C-N 113.952 -1.476 . . . . 72.04 110.087 178.77 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 82.3 m-20 -78.6 -29.31 45.99 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 115.504 -0.771 . . . . 71.52 111.897 -178.062 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 131' ' ' ASN . . . . . 0.489 ' HB3' ' O ' ' A' ' 127' ' ' ALA . 2.5 t-20 -101.32 -40.47 7.1 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 121.266 0.555 . . . . 72.12 109.871 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 39.4 t -97.26 125.85 50.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.3 -0.864 . . . . 70.22 109.833 -178.444 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -69.16 104.01 2.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.049 0.452 . . . . 45.42 110.748 -178.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . 0.527 HG22 ' HB ' ' A' ' 97' ' ' VAL . 74.2 t -114.16 125.16 71.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.813 -0.631 . . . . 75.02 110.858 -179.616 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 12.9 mmt180 -92.54 117.89 30.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.668 -0.696 . . . . 72.41 109.201 178.741 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 45.8 mt -88.31 113.0 23.47 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.204 0.526 . . . . 50.04 110.279 176.662 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . 0.515 HG13 ' HA ' ' A' ' 100' ' ' ARG . 0.2 OUTLIER -126.66 113.53 33.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 115.33 -0.85 . . . . 74.42 109.978 -179.227 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . 0.458 HG11 ' HA ' ' A' ' 112' ' ' LYS . 4.4 m -98.38 138.87 21.75 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-N 115.756 -0.656 . . . . 53.11 110.337 -178.3 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.313 -0.994 0 CA-C-N 115.118 -0.946 . . . . 73.13 110.83 -175.633 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . 0.434 ' HE3' HD13 ' B' ' 3' ' ' ILE . 17.2 ptt? . . . . . 0 C--O 1.234 0.25 0 CA-C-O 120.858 0.361 . . . . 72.42 110.9 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 2' ' ' ASN . . . . . 0.584 ' O ' ' HD2' ' A' ' 87' ' ' PRO . 38.9 t30 -75.29 80.03 2.39 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-O 121.12 0.486 . . . . 61.35 110.667 176.557 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . 0.541 HG21 ' HB2' ' B' ' 6' ' ' LYS . 29.2 mm -73.95 136.55 25.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 115.981 -0.554 . . . . 72.42 111.26 174.872 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.678 ' HG ' ' HD3' ' A' ' 87' ' ' PRO . 92.4 mt -88.76 -46.13 9.23 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.762 -0.654 . . . . 75.25 110.1 174.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 5' ' ' TYR . . . . . . . . . . . . . 38.2 t80 -136.42 126.41 26.0 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 116.116 -0.493 . . . . 75.45 110.546 -177.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . 0.541 ' HB2' HG21 ' B' ' 3' ' ' ILE . 30.5 ttmt -136.19 141.37 44.01 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 121.13 0.49 . . . . 65.01 111.211 178.309 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 6.2 t -138.9 156.71 47.06 Favored 'General case' 0 C--O 1.238 0.448 0 CA-C-N 115.421 -0.809 . . . . 72.52 109.45 178.41 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . 0.47 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . . . -118.29 134.7 54.81 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-O 121.06 0.457 . . . . 64.22 111.371 -177.329 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . 0.458 ' HA ' ' HA ' ' B' ' 21' ' ' SER . . . -129.14 121.29 27.44 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.924 -0.58 . . . . 31.45 109.805 176.597 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . 0.546 ' HA ' ' HA ' ' A' ' 80' ' ' THR . 12.6 t -99.98 146.4 26.75 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.854 0.359 . . . . 64.31 110.032 -178.195 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 11' ' ' SER . . . . . 0.615 ' HA ' ' O ' ' B' ' 18' ' ' ARG . 77.2 p -128.71 114.36 16.52 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.203 -0.453 . . . . 74.14 110.188 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . 0.507 ' HA ' HG22 ' A' ' 78' ' ' THR . 5.3 m -91.86 157.95 16.58 Favored 'General case' 0 C--O 1.238 0.49 0 CA-C-N 115.938 -0.574 . . . . 53.42 110.49 -179.43 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -82.07 73.55 2.62 Favored Glycine 0 N--CA 1.443 -0.891 0 C-N-CA 120.79 -0.719 . . . . 71.12 112.653 177.105 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -67.61 -134.28 0.04 OUTLIER Glycine 0 C--N 1.334 0.449 0 N-CA-C 110.992 -0.843 . . . . 73.4 110.992 173.093 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . 0.401 ' HD2' ' HA ' ' B' ' 15' ' ' ARG . 12.3 mmm180 -60.36 -55.37 34.44 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 117.963 0.882 . . . . 65.14 109.245 173.787 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 16' ' ' ASP . . . . . 0.541 ' HB3' ' HA ' ' B' ' 31' ' ' SER . 37.6 t0 -126.63 -43.69 1.72 Allowed 'General case' 0 CA--C 1.518 -0.26 0 C-N-CA 120.77 -0.372 . . . . 65.33 111.176 167.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -151.79 140.81 8.04 Favored Glycine 0 N--CA 1.446 -0.651 0 C-N-CA 119.473 -1.346 . . . . 74.22 112.95 176.083 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 18' ' ' ARG . . . . . 0.615 ' O ' ' HA ' ' B' ' 11' ' ' SER . 11.7 tpt180 -123.46 105.21 9.6 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 108.605 -0.887 . . . . 74.4 108.605 174.677 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 19' ' ' ALA . . . . . 0.518 ' HB1' ' HB1' ' A' ' 52' ' ' ALA . . . -98.46 123.87 42.84 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 110.158 -0.312 . . . . 64.21 110.158 -175.262 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 32.0 m -141.13 115.29 9.28 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.322 -0.399 . . . . 75.11 110.669 -175.378 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 21' ' ' SER . . . . . 0.588 ' HB3' ' N ' ' B' ' 26' ' ' LEU . 31.4 t -71.32 110.69 6.1 Favored 'General case' 0 C--O 1.249 1.068 0 N-CA-C 108.063 -1.088 . . . . 74.21 108.063 176.78 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 22' ' ' HIS . . . . . 0.442 ' C ' ' H ' ' B' ' 24' ' ' GLN . 45.2 t60 -54.17 -20.74 7.29 Favored 'General case' 0 C--N 1.35 0.625 0 O-C-N 126.646 2.466 . . . . 73.12 112.247 -172.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -80.13 17.64 0.98 Allowed 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.509 -0.552 . . . . 63.54 109.509 176.731 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 24' ' ' GLN . . . . . 0.442 ' H ' ' C ' ' B' ' 22' ' ' HIS . 28.4 mm-40 63.13 21.92 13.12 Favored 'General case' 0 CA--C 1.519 -0.227 0 CA-C-N 115.291 -0.868 . . . . 71.43 109.935 178.87 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 32.5 mmtp -90.11 -26.8 20.03 Favored 'General case' 0 N--CA 1.45 -0.475 0 CA-C-N 115.061 -0.972 . . . . 41.25 111.074 -178.265 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . 0.588 ' N ' ' HB3' ' B' ' 21' ' ' SER . 55.2 tp -142.09 145.02 33.83 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 119.403 -0.919 . . . . 71.52 111.918 -176.318 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -156.48 100.32 1.95 Allowed 'General case' 0 CA--C 1.535 0.39 0 O-C-N 124.279 0.987 . . . . 53.33 110.098 177.481 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 3.2 m -148.66 178.16 0.81 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.503 0 CA-C-N 115.478 -0.783 . . . . 74.12 111.23 177.071 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 18.0 ttpt -139.03 141.48 38.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.552 -0.749 . . . . 64.31 110.126 -179.114 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . 0.562 ' N ' HD13 ' B' ' 30' ' ' LEU . 0.0 OUTLIER -132.67 173.82 10.95 Favored 'General case' 0 C--O 1.251 1.144 0 CA-C-O 120.65 0.262 . . . . 72.32 111.125 177.519 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 31' ' ' SER . . . . . 0.541 ' HA ' ' HB3' ' B' ' 16' ' ' ASP . 56.7 p -167.77 135.33 2.29 Favored 'General case' 0 N--CA 1.456 -0.17 0 CA-C-N 115.77 -0.65 . . . . 62.35 111.959 -178.886 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -75.21 131.35 78.41 Favored Pre-proline 0 C--O 1.241 0.641 0 CA-C-N 115.95 -0.568 . . . . 75.13 110.324 174.333 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 33' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -54.66 134.93 64.97 Favored 'Trans proline' 0 C--N 1.349 0.59 0 C-N-CA 123.015 2.477 . . . . 71.3 112.761 -179.127 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.99 -15.96 58.04 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 116.092 -0.504 . . . . 71.43 111.001 178.017 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -49.82 -33.33 16.41 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 115.895 -0.593 . . . . 72.42 111.504 179.428 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 16.9 mt -106.45 11.67 30.52 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.6 -0.727 . . . . 63.52 110.913 -173.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 85.05 31.65 22.64 Favored Glycine 0 C--N 1.331 0.301 0 CA-C-N 115.828 -0.624 . . . . 51.22 111.762 -175.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -87.91 -133.06 4.06 Favored Glycine 0 C--N 1.334 0.471 0 C-N-CA 121.327 -0.463 . . . . 64.12 112.134 -177.454 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -102.61 -42.45 5.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.741 0.305 . . . . 71.25 111.111 -176.549 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 78.24 95.09 0.25 Allowed Glycine 0 N--CA 1.446 -0.683 0 C-N-CA 120.73 -0.748 . . . . 53.13 111.493 -179.278 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . 0.424 ' HB3' ' CB ' ' B' ' 31' ' ' SER . . . -159.17 -170.35 2.96 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.893 0.378 . . . . 45.11 111.943 -177.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -91.75 5.97 47.79 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 115.295 -0.866 . . . . 74.14 111.761 -174.272 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -80.92 -168.46 39.59 Favored Glycine 0 CA--C 1.517 0.203 0 C-N-CA 120.894 -0.669 . . . . 72.12 113.057 -173.069 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 44' ' ' THR . . . . . 0.551 ' H ' ' HA ' ' B' ' 30' ' ' LEU . 6.7 t -108.28 166.88 10.42 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.331 -0.618 . . . . 35.03 109.331 178.725 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 45' ' ' ASN . . . . . 0.699 ' HB2' ' HB3' ' B' ' 48' ' ' GLN . 2.7 m-20 -78.08 138.84 60.74 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 120.446 0.165 . . . . 71.14 111.219 -175.295 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 46' ' ' PRO . . . . . 0.639 ' HB3' ' SG ' ' A' ' 57' ' ' CYS . 26.0 Cg_exo -63.67 -52.31 1.92 Allowed 'Trans proline' 0 C--O 1.241 0.629 0 C-N-CA 123.079 2.519 . . . . 54.41 112.613 179.146 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 47' ' ' GLU . . . . . 0.427 ' OE2' ' HB3' ' B' ' 45' ' ' ASN . 3.3 pm0 -66.8 -33.46 75.67 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 121.085 0.469 . . . . 73.03 109.869 -178.054 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . 0.699 ' HB3' ' HB2' ' B' ' 45' ' ' ASN . 0.7 OUTLIER -64.78 -35.83 82.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.61 -0.723 . . . . 65.22 110.315 173.555 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -65.08 -51.09 63.43 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-N 116.034 -0.53 . . . . 73.15 109.664 179.278 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 75.1 t80 -59.92 -46.72 88.47 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 116.51 -0.313 . . . . 74.53 110.333 177.234 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . 0.544 ' HB1' ' HB1' ' B' ' 81' ' ' ALA . . . -56.45 -53.45 57.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.232 -0.44 . . . . 63.22 111.393 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 52' ' ' ALA . . . . . 0.696 ' HB1' ' HB1' ' A' ' 19' ' ' ALA . . . -61.65 -48.46 80.74 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 116.313 -0.403 . . . . 74.31 110.737 -177.893 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -61.42 -44.1 98.47 Favored Glycine 0 C--N 1.331 0.273 0 CA-C-N 115.877 -0.601 . . . . 73.22 112.198 -179.638 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -68.59 -36.2 78.39 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 122.496 0.318 . . . . 73.14 110.741 -179.335 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 55' ' ' SER . . . . . 0.541 ' OG ' ' HB2' ' B' ' 81' ' ' ALA . 66.3 m -66.93 -44.47 80.6 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.757 0.313 . . . . 71.55 110.626 179.768 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 56' ' ' ALA . . . . . 0.473 ' HB1' HD21 ' A' ' 30' ' ' LEU . . . -67.59 -41.77 83.55 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.164 0.507 . . . . 72.32 109.914 175.618 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 57' ' ' CYS . . . . . . . . . . . . . 41.2 t -59.64 -36.17 75.84 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.418 -0.81 . . . . 72.4 110.504 177.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 28.1 t80 -57.03 -34.7 68.47 Favored 'General case' 0 CA--C 1.529 0.148 0 CA-C-N 116.004 -0.544 . . . . 52.32 110.204 -177.654 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -68.06 -47.87 67.16 Favored 'General case' 0 CA--C 1.53 0.176 0 N-CA-C 109.319 -0.623 . . . . 64.41 109.319 177.63 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 15.1 m -56.31 -51.28 68.79 Favored 'General case' 0 C--O 1.243 0.763 0 CA-C-N 116.107 -0.497 . . . . 73.23 110.694 178.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 61' ' ' ALA . . . . . 0.536 ' HB1' ' SG ' ' B' ' 122' ' ' CYS . . . -58.84 -50.59 73.43 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.441 -0.799 . . . . 44.1 110.39 179.435 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 62' ' ' MET . . . . . 0.412 ' SD ' ' HB1' ' B' ' 118' ' ' ALA . 10.4 mtp -66.67 -23.11 66.1 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.458 -0.337 . . . . 71.0 111.318 179.477 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . 0.529 ' HZ3' ' HB3' ' B' ' 63' ' ' LYS . 6.3 ttpm? -67.57 -47.68 69.08 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 108.878 -0.786 . . . . 72.03 108.878 175.883 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 77.9 t80 -60.51 -48.46 81.65 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 115.454 -0.794 . . . . 73.11 110.101 175.191 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 44.0 t -57.35 -47.9 83.66 Favored 'Isoleucine or valine' 0 C--O 1.233 0.192 0 CA-C-N 115.629 -0.714 . . . . 75.05 111.304 179.461 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -58.15 -33.17 68.9 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.125 -0.489 . . . . 74.13 110.531 179.719 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -70.1 -28.71 71.26 Favored Glycine 0 N--CA 1.449 -0.439 0 CA-C-N 115.506 -0.77 . . . . 75.04 112.157 -176.483 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -98.9 -14.49 19.55 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.068 0.461 . . . . 64.5 110.313 179.203 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 7.4 m-80 -92.08 2.42 56.59 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 115.833 -0.621 . . . . 65.21 111.002 177.324 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 2.5 mptp? 64.15 25.3 13.66 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 115.788 -0.642 . . . . 73.12 111.518 175.753 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -119.87 165.67 14.3 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.743 -0.662 . . . . 74.24 110.273 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 19.4 p -125.24 139.54 53.64 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.385 -0.371 . . . . 74.12 110.582 179.389 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 73' ' ' LEU . . . . . 0.485 ' HA ' ' HD3' ' B' ' 74' ' ' PRO . 96.6 mt -109.46 139.34 21.03 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.271 -0.422 . . . . 75.15 110.493 179.202 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 74' ' ' PRO . . . . . 0.485 ' HD3' ' HA ' ' B' ' 73' ' ' LEU . 19.5 Cg_exo -67.42 129.67 20.72 Favored 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 122.941 2.427 . . . . 62.01 112.045 179.702 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -77.08 -12.24 59.91 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-O 121.014 0.435 . . . . 71.53 111.061 178.595 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -81.4 2.64 27.61 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-O 121.539 0.685 . . . . 60.22 111.093 -179.75 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 77' ' ' THR . . . . . 0.449 ' HA ' ' HD3' ' B' ' 104' ' ' PRO . 9.7 t -70.86 164.93 24.31 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.777 -0.647 . . . . 73.25 112.054 -175.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 28.2 m -145.65 149.38 34.38 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.49 -0.777 . . . . 71.23 109.746 176.646 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 57.4 t -128.42 151.95 35.9 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 N-CA-C 108.305 -0.998 . . . . 54.24 108.305 177.248 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 26.3 m -136.27 112.03 9.45 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.795 0.331 . . . . 72.42 110.619 176.596 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 81' ' ' ALA . . . . . 0.544 ' HB1' ' HB1' ' B' ' 51' ' ' ALA . . . -93.44 104.79 16.91 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.061 -0.518 . . . . 73.43 110.027 177.334 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -101.66 107.55 18.82 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.248 -0.649 . . . . 71.23 109.248 178.663 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . 0.464 HG12 ' HB ' ' B' ' 97' ' ' VAL . 18.3 m -102.85 136.78 33.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 120.979 0.419 . . . . 71.44 111.039 -176.729 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 84' ' ' GLY . . . . . . . . . . . . . . . -134.52 151.52 20.37 Favored Glycine 0 N--CA 1.44 -1.053 0 N-CA-C 110.894 -0.882 . . . . 52.45 110.894 175.603 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -131.9 129.66 60.92 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.815 0 N-CA-C 108.996 -0.742 . . . . 73.1 108.996 -179.439 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 86' ' ' GLY . . . . . 0.425 ' HA2' ' HG ' ' A' ' 4' ' ' LEU . . . -150.54 169.71 30.43 Favored Glycine 0 C--N 1.329 0.147 0 O-C-N 124.239 0.962 . . . . 52.3 111.152 -178.485 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 87' ' ' PRO . . . . . 0.614 ' HD3' ' HG ' ' A' ' 4' ' ' LEU . 92.5 Cg_endo -81.61 141.74 12.52 Favored 'Trans proline' 0 N--CA 1.458 -0.583 0 C-N-CA 122.388 2.059 . . . . 61.3 112.095 -177.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 88' ' ' ASN . . . . . . . . . . . . . 32.9 p30 -95.24 168.19 10.89 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.883 -0.598 . . . . 72.3 109.889 177.411 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -63.86 -17.43 63.15 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.426 -0.352 . . . . 65.22 111.653 -178.114 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -75.4 -24.48 57.18 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 121.14 0.495 . . . . 74.05 110.485 177.44 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.41 8.3 38.32 Favored Glycine 0 C--O 1.237 0.297 0 CA-C-N 115.935 -0.575 . . . . 72.2 112.506 178.79 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . -105.09 -166.95 24.03 Favored Glycine 0 N--CA 1.451 -0.337 0 N-CA-C 110.904 -0.879 . . . . 70.13 110.904 176.437 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 93' ' ' PHE . . . . . 0.408 ' HE1' ' CZ ' ' A' ' 64' ' ' PHE . 40.9 m-85 -98.04 149.61 22.29 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.027 0.441 . . . . 73.12 110.555 179.31 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -135.84 132.66 36.92 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.538 -0.755 . . . . 62.21 109.651 -178.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -101.9 118.37 36.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.986 -0.552 . . . . 74.21 110.649 -178.517 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 96' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -110.21 110.27 21.05 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.395 -0.82 . . . . 73.53 109.123 176.477 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 97' ' ' VAL . . . . . 0.493 HG13 ' HA ' ' B' ' 134' ' ' VAL . 1.5 p -112.34 110.82 33.62 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-O 121.572 0.701 . . . . 65.34 110.178 179.23 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -93.53 108.0 19.76 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.261 -0.881 . . . . 74.42 109.112 -178.743 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 22.4 tp -98.22 112.46 24.43 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.793 -0.639 . . . . 61.12 110.338 -173.132 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 100' ' ' ARG . . . . . 0.532 ' HA ' HG13 ' B' ' 137' ' ' VAL . 65.7 ttt180 -99.24 121.71 41.42 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.184 -0.462 . . . . 64.11 110.513 -176.741 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 101' ' ' VAL . . . . . . . . . . . . . 91.3 t -105.1 101.74 12.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.824 -0.626 . . . . 60.12 110.715 -177.409 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 102' ' ' ALA . . . . . 0.494 ' HA ' ' HB3' ' B' ' 139' ' ' ALA . . . -96.32 101.16 12.76 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.909 0.385 . . . . 53.32 110.017 177.371 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 103' ' ' LEU . . . . . 0.446 ' HB2' HD23 ' B' ' 106' ' ' LEU . 19.5 mt -111.02 118.75 47.44 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 115.92 -0.582 . . . . 72.24 109.715 179.764 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 104' ' ' PRO . . . . . 0.449 ' HD3' ' HA ' ' B' ' 77' ' ' THR . 57.7 Cg_endo -71.21 146.16 50.68 Favored 'Trans proline' 0 N--CA 1.461 -0.397 0 C-N-CA 122.497 2.132 . . . . 74.24 112.449 -177.496 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 105' ' ' GLY . . . . . . . . . . . . . . . 69.66 15.0 70.58 Favored Glycine 0 CA--C 1.521 0.429 0 CA-C-N 115.045 -0.979 . . . . 72.34 112.667 -179.019 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 106' ' ' LEU . . . . . 0.446 HD23 ' HB2' ' B' ' 103' ' ' LEU . 31.9 tp -123.36 135.82 54.35 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.264 0.554 . . . . 60.53 111.353 -177.599 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -76.44 148.54 37.2 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.092 -0.958 . . . . 63.12 110.643 177.801 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 108' ' ' ALA . . . . . 0.461 ' O ' ' HG3' ' B' ' 112' ' ' LYS . . . -64.46 -40.73 96.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.487 -0.324 . . . . 34.32 110.573 178.524 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -55.64 -50.52 69.97 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 115.933 -0.576 . . . . 64.51 110.808 179.647 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 110' ' ' ALA . . . . . 0.498 ' O ' HG22 ' B' ' 113' ' ' THR . . . -68.81 -41.99 77.89 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-O 121.127 0.489 . . . . 72.03 110.367 178.524 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 111' ' ' ALA . . . . . 0.403 ' O ' HG23 ' B' ' 115' ' ' VAL . . . -55.62 -35.86 66.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.741 -0.663 . . . . 64.14 111.173 -178.612 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 112' ' ' LYS . . . . . 0.461 ' HG3' ' O ' ' B' ' 108' ' ' ALA . 55.9 mtpt -54.07 -43.53 70.37 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 116.331 -0.395 . . . . 74.45 111.438 178.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 113' ' ' THR . . . . . 0.498 HG22 ' O ' ' B' ' 110' ' ' ALA . 1.5 t -81.64 -34.71 30.67 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.872 0.367 . . . . 72.03 110.251 -178.883 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 114' ' ' LEU . . . . . 0.466 ' HG ' ' O ' ' B' ' 110' ' ' ALA . 39.4 mt -63.27 -42.53 99.14 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-N 116.207 -0.451 . . . . 70.23 110.931 -179.57 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 115' ' ' VAL . . . . . 0.495 HG21 HG12 ' B' ' 138' ' ' VAL . 85.4 t -70.08 -32.68 52.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.378 -0.374 . . . . 63.55 110.332 178.445 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -61.06 -61.08 2.83 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 121.144 0.497 . . . . 75.43 110.013 177.417 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 117' ' ' ARG . . . . . 0.463 ' HG2' ' O ' ' B' ' 113' ' ' THR . 7.8 ptm180 -59.41 -43.66 92.96 Favored 'General case' 0 C--O 1.224 -0.253 0 CA-C-N 115.456 -0.793 . . . . 70.2 110.8 -178.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 118' ' ' ALA . . . . . 0.412 ' HB1' ' SD ' ' B' ' 62' ' ' MET . . . -58.8 -54.0 52.04 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-O 120.948 0.404 . . . . 61.11 111.24 -179.87 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 119' ' ' HIS . . . . . 0.518 ' NE2' HG23 ' B' ' 128' ' ' THR . 33.4 t60 -71.46 -0.85 11.37 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 116.016 -0.538 . . . . 74.31 110.895 -177.181 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 24.9 t60 -108.4 -40.01 5.27 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 116.209 -0.45 . . . . 61.52 111.71 178.235 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 35.0 m -80.03 -36.31 16.72 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.313 0 N-CA-C 111.394 0.146 . . . . 63.42 111.394 -174.381 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 122' ' ' CYS . . . . . 0.536 ' SG ' ' HB1' ' B' ' 61' ' ' ALA . 52.4 t -140.51 67.5 30.63 Favored Pre-proline 0 C--O 1.234 0.288 0 CA-C-O 121.003 0.43 . . . . 74.53 111.474 -178.42 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 123' ' ' PRO . . . . . . . . . . . . . 68.7 Cg_endo -91.45 155.24 3.64 Favored 'Trans proline' 0 N--CA 1.452 -0.942 0 C-N-CA 122.786 2.324 . . . . 65.25 110.792 171.246 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 124' ' ' TYR . . . . . 0.48 ' HE1' ' CG ' ' A' ' 50' ' ' PHE . 5.0 t80 . . . . . 0 CA--C 1.532 0.258 0 CA-C-O 121.357 0.598 . . . . 65.35 109.548 178.504 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 128' ' ' THR . . . . . 0.518 HG23 ' NE2' ' B' ' 119' ' ' HIS . 6.2 t . . . . . 0 CA--C 1.508 -0.639 0 N-CA-C 108.189 -1.041 . . . . 55.14 108.189 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 129' ' ' ARG . . . . . 0.431 HH11 ' HD2' ' B' ' 129' ' ' ARG . 13.2 ptt180 -128.61 -58.15 1.18 Allowed 'General case' 0 N--CA 1.435 -1.199 0 CA-C-N 115.127 -0.942 . . . . 75.21 111.961 178.109 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 130' ' ' ASN . . . . . 0.752 HD22 ' N ' ' B' ' 131' ' ' ASN . 0.2 OUTLIER -78.75 -33.15 46.75 Favored 'General case' 0 CA--C 1.512 -0.505 0 CA-C-O 122.176 0.989 . . . . 74.14 112.347 -176.342 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 131' ' ' ASN . . . . . 0.752 ' N ' HD22 ' B' ' 130' ' ' ASN . 3.7 t-20 -90.41 -44.16 9.82 Favored 'General case' 0 C--N 1.302 -1.47 0 CA-C-N 113.981 -1.463 . . . . 75.43 111.292 -176.628 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 132' ' ' VAL . . . . . . . . . . . . . 48.0 t -108.07 121.08 60.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.886 -0.597 . . . . 52.13 109.494 -174.565 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 133' ' ' ALA . . . . . 0.403 ' HB1' ' NH2' ' B' ' 135' ' ' ARG . . . -69.4 88.71 0.48 Allowed 'General case' 0 C--O 1.237 0.404 0 CA-C-O 121.503 0.668 . . . . 72.23 111.691 -174.501 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 134' ' ' VAL . . . . . 0.493 ' HA ' HG13 ' B' ' 97' ' ' VAL . 21.9 t -104.8 104.07 16.3 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.668 0 CA-C-N 115.028 -0.987 . . . . 61.1 109.82 174.467 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 135' ' ' ARG . . . . . 0.403 ' NH2' ' HB1' ' B' ' 133' ' ' ALA . 6.3 tpp180 -74.17 101.31 3.92 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.702 -0.681 . . . . 74.32 109.248 -178.836 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 72.6 mt -76.62 121.62 23.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.017 0.437 . . . . 72.41 111.23 -177.323 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 137' ' ' VAL . . . . . 0.532 HG13 ' HA ' ' B' ' 100' ' ' ARG . 0.2 OUTLIER -130.94 129.63 63.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.441 -0.799 . . . . 72.22 109.598 179.369 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 138' ' ' VAL . . . . . 0.495 HG12 HG21 ' B' ' 115' ' ' VAL . 4.1 m -103.77 138.39 28.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 121.455 0.645 . . . . 70.52 110.529 -177.088 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 139' ' ' ALA . . . . . 0.494 ' HB3' ' HA ' ' B' ' 102' ' ' ALA . . . . . . . . 0 C--O 1.247 0.946 0 CA-C-N 115.192 -0.913 . . . . 71.35 110.294 -176.107 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.446 ' HE3' HD13 ' A' ' 3' ' ' ILE . 14.6 ptt? . . . . . 0 N--CA 1.484 1.234 0 CA-C-O 120.732 0.301 . . . . 71.43 110.703 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 46.5 t30 -73.5 76.96 1.44 Allowed 'General case' 0 CA--C 1.53 0.201 0 CA-C-O 121.351 0.596 . . . . 75.52 110.694 178.111 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.543 HG21 ' HB2' ' A' ' 6' ' ' LYS . 40.5 mm -73.95 130.61 35.82 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-N 115.769 -0.65 . . . . 51.02 112.154 177.139 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.633 ' HG ' ' HD3' ' B' ' 87' ' ' PRO . 90.5 mt -82.53 -50.14 9.13 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.252 -0.885 . . . . 74.21 109.962 174.357 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 27.4 t80 -136.49 132.02 34.75 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.016 -0.538 . . . . 54.43 109.645 -178.817 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.543 ' HB2' HG21 ' A' ' 3' ' ' ILE . 32.3 ttmt -131.92 146.54 52.17 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.999 0.428 . . . . 62.42 111.081 178.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.465 HG21 ' HB2' ' B' ' 48' ' ' GLN . 10.3 t -147.01 -179.51 6.86 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.363 -0.835 . . . . 73.02 108.91 172.077 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.406 ' O ' ' ND1' ' A' ' 22' ' ' HIS . . . -151.62 161.73 42.18 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.927 0.394 . . . . 64.34 110.661 -176.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -141.52 153.98 45.22 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.001 -0.545 . . . . 65.14 109.716 176.067 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 87.0 m -122.43 109.94 15.01 Favored 'General case' 0 N--CA 1.437 -1.098 0 N-CA-C 109.007 -0.738 . . . . 73.43 109.007 -172.457 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.537 ' HA ' ' O ' ' A' ' 18' ' ' ARG . 70.0 m -109.39 113.15 25.72 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 115.504 -0.771 . . . . 71.32 110.216 -179.209 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 4.0 m -95.47 157.27 15.97 Favored 'General case' 0 C--O 1.239 0.507 0 CA-C-N 115.692 -0.685 . . . . 72.12 110.829 -177.633 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -86.23 75.79 2.21 Favored Glycine 0 N--CA 1.447 -0.572 0 CA-C-N 115.815 -0.63 . . . . 62.44 111.586 175.38 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -65.88 -107.48 0.01 OUTLIER Glycine 0 C--N 1.332 0.356 0 C-N-CA 121.269 -0.491 . . . . 62.02 112.054 177.26 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.436 ' HD3' ' HA ' ' A' ' 15' ' ' ARG . 33.4 mmt180 -88.79 -51.73 5.49 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.86 -0.422 . . . . 73.04 109.86 174.251 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.553 ' HB3' ' HA ' ' A' ' 31' ' ' SER . 20.8 t70 -125.89 -42.48 1.9 Allowed 'General case' 0 N--CA 1.464 0.234 0 N-CA-C 109.831 -0.433 . . . . 74.22 109.831 171.754 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.415 ' O ' ' HG3' ' A' ' 29' ' ' LYS . . . -164.95 153.6 23.89 Favored Glycine 0 C--N 1.338 0.684 0 C-N-CA 120.284 -0.96 . . . . 73.12 111.961 165.846 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.546 ' HA ' ' HA ' ' A' ' 29' ' ' LYS . 0.8 OUTLIER -139.16 110.1 6.78 Favored 'General case' 0 C--O 1.221 -0.414 0 N-CA-C 109.48 -0.563 . . . . 73.24 109.48 178.848 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -109.61 124.13 50.63 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 120.708 0.29 . . . . 71.12 111.14 -174.458 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.487 HG23 ' O ' ' A' ' 26' ' ' LEU . 88.9 m -131.69 116.81 17.8 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.22 -0.446 . . . . 63.53 110.658 -179.118 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.533 ' CB ' ' HB3' ' A' ' 26' ' ' LEU . 28.3 t -69.35 115.06 8.19 Favored 'General case' 0 C--O 1.251 1.157 0 N-CA-C 107.707 -1.22 . . . . 62.3 107.707 176.247 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.413 ' C ' ' H ' ' A' ' 24' ' ' GLN . 3.4 p-80 -55.29 -27.19 45.05 Favored 'General case' 0 N--CA 1.472 0.673 0 O-C-N 126.459 2.349 . . . . 71.44 112.94 -162.083 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -80.45 14.97 1.79 Allowed 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.456 0.646 . . . . 73.43 109.676 -179.05 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.413 ' H ' ' C ' ' A' ' 22' ' ' HIS . 33.4 mm-40 71.41 17.27 5.84 Favored 'General case' 0 CA--C 1.514 -0.436 0 CA-C-N 114.397 -1.274 . . . . 72.53 110.347 173.342 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.446 ' NZ ' ' OD1' ' B' ' 45' ' ' ASN . 47.2 mtmt -89.0 -16.18 32.33 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 115.63 -0.714 . . . . 73.44 110.967 179.369 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.533 ' HB3' ' CB ' ' A' ' 21' ' ' SER . 62.2 tp -143.15 142.37 31.45 Favored 'General case' 0 C--O 1.218 -0.6 0 C-N-CA 119.232 -0.987 . . . . 74.42 110.578 174.047 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -155.65 97.43 1.85 Allowed 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.22 -0.659 . . . . 74.13 109.22 175.183 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 3.6 m -141.49 177.91 3.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 121.376 0.607 . . . . 62.12 111.482 179.367 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.546 ' HA ' ' HA ' ' A' ' 18' ' ' ARG . 17.2 ttmt -138.02 139.5 39.65 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 114.895 -1.048 . . . . 62.42 109.602 179.811 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.566 ' N ' HD13 ' A' ' 30' ' ' LEU . 0.0 OUTLIER -123.44 161.24 25.19 Favored 'General case' 0 C--O 1.251 1.182 0 CA-C-O 121.397 0.618 . . . . 64.12 110.812 179.196 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.553 ' HA ' ' HB3' ' A' ' 16' ' ' ASP . 56.1 m -157.88 119.13 3.54 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 114.518 -1.219 . . . . 75.34 109.414 -176.194 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.27 135.62 96.32 Favored Pre-proline 0 C--N 1.323 -0.548 0 CA-C-N 116.06 -0.518 . . . . 52.21 110.242 -179.547 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_exo -51.55 128.98 27.82 Favored 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 122.244 1.962 . . . . 73.33 111.206 176.546 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.415 ' HB2' ' N ' ' A' ' 40' ' ' GLY . 25.0 tpt180 -66.06 -12.94 58.82 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.941 -0.392 . . . . 50.12 109.941 -177.718 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.421 ' HB3' HD22 ' A' ' 36' ' ' LEU . 11.4 tp10 -51.55 -39.86 58.59 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-N 115.718 -0.674 . . . . 75.14 110.38 173.487 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.461 HD22 ' N ' ' A' ' 36' ' ' LEU . 1.6 mm? -97.57 12.51 33.25 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 116.129 -0.487 . . . . 63.44 110.416 -179.239 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.52 23.81 38.46 Favored Glycine 0 CA--C 1.518 0.235 0 C-N-CA 121.222 -0.513 . . . . 72.22 112.329 -177.479 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -79.52 -126.86 0.57 Allowed Glycine 0 C--N 1.334 0.431 0 C-N-CA 121.32 -0.467 . . . . 73.44 112.067 179.521 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -121.3 -13.74 8.42 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.796 0.298 . . . . 63.22 111.768 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.415 ' N ' ' HB2' ' A' ' 34' ' ' ARG . . . 50.5 35.06 28.4 Favored Glycine 0 CA--C 1.524 0.615 0 C-N-CA 121.468 -0.396 . . . . 45.53 113.449 -176.809 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -99.45 -170.48 1.91 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.907 0.384 . . . . 44.21 111.248 -177.435 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -91.8 83.36 5.25 Favored 'General case' 0 CA--C 1.51 -0.581 0 CA-C-O 122.101 0.953 . . . . 71.23 110.648 -178.059 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -155.88 -162.81 11.64 Favored Glycine 0 C--N 1.306 -1.1 0 CA-C-N 113.709 -1.587 . . . . 55.55 111.516 174.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.457 HG22 ' HB3' ' A' ' 30' ' ' LEU . 9.0 t -113.44 179.05 4.07 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.81 -0.441 . . . . 74.01 109.81 175.839 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -104.56 129.1 25.59 Favored Pre-proline 0 C--N 1.33 -0.261 0 N-CA-C 109.475 -0.565 . . . . 72.33 109.475 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.47 ' HB3' ' HB2' ' B' ' 57' ' ' CYS . 88.5 Cg_exo -48.01 -45.49 24.94 Favored 'Trans proline' 0 CA--C 1.535 0.555 0 C-N-CA 123.134 2.556 . . . . 63.04 113.593 -174.724 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.9 mp0 -66.02 -35.83 81.61 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 121.024 0.44 . . . . 62.13 110.343 -177.134 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 13.2 tt0 -67.08 -40.83 87.07 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.809 -0.632 . . . . 72.35 109.535 176.841 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -58.52 -50.48 73.6 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 115.467 -0.788 . . . . 71.11 109.844 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.455 ' CZ ' ' HE1' ' B' ' 124' ' ' TYR . 58.9 t80 -59.72 -52.34 65.9 Favored 'General case' 0 N--CA 1.462 0.142 0 CA-C-N 116.333 -0.394 . . . . 64.45 110.63 177.821 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.639 ' HB1' ' HB1' ' A' ' 81' ' ' ALA . . . -51.7 -50.86 59.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.893 -0.594 . . . . 52.03 111.596 -179.627 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.76 -47.39 86.55 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-O 120.946 0.403 . . . . 51.43 110.685 -179.609 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -62.61 -44.0 98.18 Favored Glycine 0 N--CA 1.451 -0.357 0 CA-C-N 115.714 -0.675 . . . . 45.35 112.594 -178.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -71.14 -36.26 72.02 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 122.172 0.189 . . . . 71.4 110.544 -178.272 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.537 ' OG ' ' HB2' ' A' ' 81' ' ' ALA . 67.7 m -65.95 -45.31 82.25 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.607 0.241 . . . . 50.31 110.42 178.688 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.407 ' HB2' ' HB2' ' B' ' 11' ' ' SER . . . -64.34 -43.66 93.9 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-O 121.372 0.606 . . . . 72.41 109.895 175.324 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 51.5 t -57.62 -36.28 71.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.196 -0.911 . . . . 74.4 110.644 176.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 12.0 t80 -55.18 -37.98 67.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.015 -0.539 . . . . 64.12 110.524 -177.778 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -73.37 -32.6 64.59 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.246 -0.434 . . . . 74.12 110.626 178.27 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.47 ' O ' ' HB3' ' A' ' 63' ' ' LYS . 29.9 t -67.6 -43.58 80.13 Favored 'General case' 0 C--O 1.236 0.369 0 N-CA-C 109.503 -0.554 . . . . 74.4 109.503 177.071 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.412 ' HB1' ' SG ' ' A' ' 122' ' ' CYS . . . -60.4 -47.88 84.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.717 -0.674 . . . . 64.15 110.089 175.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 83.5 mmm -64.88 -26.68 68.43 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 115.963 -0.562 . . . . 61.32 110.919 177.299 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.516 ' HE3' ' HA ' ' B' ' 16' ' ' ASP . 19.0 ttmm -64.54 -49.36 71.55 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.156 -0.683 . . . . 62.32 109.156 175.654 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 76.3 t80 -65.3 -43.53 90.84 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 115.257 -0.883 . . . . 70.35 110.51 178.271 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 42.0 t -57.9 -49.59 80.61 Favored 'Isoleucine or valine' 0 C--O 1.233 0.192 0 CA-C-N 116.074 -0.512 . . . . 51.41 110.566 177.818 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -57.44 -33.82 68.33 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.132 -0.485 . . . . 55.45 110.244 178.738 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -66.53 -33.2 83.9 Favored Glycine 0 CA--C 1.518 0.238 0 CA-C-N 115.36 -0.837 . . . . 65.01 112.327 -178.171 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 8.0 pt20 -94.56 -16.18 23.48 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 121.256 0.55 . . . . 73.33 109.806 -179.73 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 11.1 m-80 -93.18 4.68 53.59 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.393 -0.821 . . . . 73.35 110.817 178.113 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.7 mptp? 57.19 34.54 24.96 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-O 121.36 0.6 . . . . 70.5 111.213 174.115 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -130.77 164.14 25.79 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.323 -0.853 . . . . 65.11 110.161 -179.755 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 24.8 p -127.9 136.97 52.11 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.261 -0.427 . . . . 71.13 110.11 177.166 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -109.42 142.98 26.83 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.403 -0.362 . . . . 63.13 110.5 -179.769 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.499 ' O ' HG22 ' A' ' 77' ' ' THR . 76.9 Cg_exo -53.51 132.91 51.17 Favored 'Trans proline' 0 C--N 1.349 0.598 0 C-N-CA 123.122 2.548 . . . . 75.32 112.778 179.024 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -76.99 1.83 16.63 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 121.311 0.577 . . . . 74.43 111.195 177.83 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -90.5 0.73 57.21 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.528 -0.76 . . . . 72.44 111.09 -178.833 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.545 ' OG1' HD22 ' A' ' 103' ' ' LEU . 4.3 t -72.96 152.42 41.39 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.451 -0.795 . . . . 73.42 110.799 -179.067 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 33.7 m -150.25 149.32 30.0 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.916 -0.584 . . . . 65.01 110.074 179.356 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.493 HG22 ' HA ' ' A' ' 101' ' ' VAL . 87.1 t -130.65 123.79 55.54 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 115.902 -0.59 . . . . 73.54 109.492 176.685 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 87.9 m -104.43 115.21 29.97 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.289 -0.414 . . . . 61.0 110.32 -179.466 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.639 ' HB1' ' HB1' ' A' ' 51' ' ' ALA . . . -93.45 113.97 26.25 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.843 -0.617 . . . . 75.0 110.074 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.435 ' HG2' ' HD3' ' B' ' 6' ' ' LYS . 23.0 tt0 -114.86 107.74 15.81 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.241 -0.651 . . . . 74.0 109.241 -176.409 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 54.9 t -100.17 126.63 53.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.502 -0.772 . . . . 74.25 111.443 -171.799 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.456 ' HA2' ' HA ' ' B' ' 6' ' ' LYS . . . -123.9 157.72 18.35 Favored Glycine 0 N--CA 1.442 -0.906 0 N-CA-C 111.723 -0.551 . . . . 64.22 111.723 177.43 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.514 HD11 ' CD2' ' A' ' 93' ' ' PHE . 0.0 OUTLIER -142.59 130.63 20.27 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.787 0 N-CA-C 109.238 -0.653 . . . . 71.32 109.238 179.519 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . 0.555 ' HA2' ' HG ' ' B' ' 4' ' ' LEU . . . -139.96 169.91 24.5 Favored Glycine 0 CA--C 1.518 0.271 0 O-C-N 124.229 0.955 . . . . 64.2 111.336 179.679 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.744 ' HD3' ' HG ' ' B' ' 4' ' ' LEU . 85.2 Cg_endo -87.62 141.75 5.66 Favored 'Trans proline' 0 N--CA 1.456 -0.681 0 C-N-CA 122.527 2.152 . . . . 75.13 112.39 -175.76 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 22.2 t-20 -103.35 146.27 28.72 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.732 -0.667 . . . . 63.43 109.39 177.465 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -60.79 -16.01 35.98 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 116.414 -0.357 . . . . 74.31 111.867 -177.06 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -67.57 -24.37 65.51 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 121.069 0.461 . . . . 62.35 110.716 178.133 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.16 34.93 3.54 Favored Glycine 0 N--CA 1.453 -0.198 0 CA-C-N 116.006 -0.543 . . . . 52.42 111.89 -178.034 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -146.8 -171.95 16.59 Favored Glycine 0 N--CA 1.449 -0.45 0 N-CA-C 110.93 -0.868 . . . . 74.12 110.93 178.317 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.514 ' CD2' HD11 ' A' ' 85' ' ' ILE . 47.0 m-85 -97.93 151.73 19.97 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.033 0.444 . . . . 72.25 110.451 179.715 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -132.84 127.83 35.35 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.429 -0.805 . . . . 73.43 109.085 -178.253 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -98.24 139.96 33.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.165 0.507 . . . . 75.45 111.43 -174.191 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -125.42 110.26 13.72 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 114.712 -1.131 . . . . 62.1 108.392 175.744 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 60.6 t -111.81 110.42 32.12 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.057 0 C-N-CA 120.904 -0.318 . . . . 41.42 110.81 -176.096 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.63 ' HG2' ' HD3' ' A' ' 135' ' ' ARG . 45.0 mt-10 -90.38 123.69 34.32 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.21 -0.45 . . . . 51.52 110.307 -178.867 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 75.0 mt -107.93 107.16 17.75 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 108.976 -0.75 . . . . 73.33 108.976 173.553 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.484 ' O ' ' HA ' ' A' ' 79' ' ' VAL . 90.3 mtt-85 -99.05 105.55 17.69 Favored 'General case' 0 CA--C 1.513 -0.478 0 N-CA-C 109.506 -0.553 . . . . 73.43 109.506 -175.877 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.493 ' HA ' HG22 ' A' ' 79' ' ' VAL . 47.1 t -100.2 106.37 19.11 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 CA-C-N 115.34 -0.845 . . . . 72.23 111.122 -171.235 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.525 ' HA ' ' HB3' ' A' ' 139' ' ' ALA . . . -103.16 101.33 11.28 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.934 0.397 . . . . 73.1 109.949 175.666 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.545 HD22 ' OG1' ' A' ' 77' ' ' THR . 0.5 OUTLIER -109.07 114.13 58.43 Favored Pre-proline 0 C--N 1.328 -0.349 0 N-CA-C 108.804 -0.813 . . . . 73.31 108.804 175.909 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . 0.492 ' HG2' ' HB2' ' A' ' 74' ' ' PRO . 45.1 Cg_endo -70.63 144.53 49.66 Favored 'Trans proline' 0 N--CA 1.456 -0.727 0 C-N-CA 121.952 1.768 . . . . 73.52 111.899 -177.107 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 70.42 15.13 72.57 Favored Glycine 0 CA--C 1.521 0.42 0 CA-C-N 115.337 -0.847 . . . . 54.45 112.977 -177.662 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 24.8 tp -117.36 137.67 52.3 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-O 121.014 0.435 . . . . 65.03 111.365 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -71.33 144.19 50.0 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-N 115.404 -0.816 . . . . 72.42 110.323 176.036 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -62.79 -43.9 97.59 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.85 0.357 . . . . 74.35 110.596 175.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . 0.447 ' HA ' ' HE2' ' A' ' 112' ' ' LYS . . . -55.6 -46.47 77.29 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 115.823 -0.626 . . . . 64.13 110.787 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 0.429 ' O ' ' HG ' ' A' ' 114' ' ' LEU . . . -72.57 -39.88 67.06 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.959 -0.564 . . . . 73.25 110.25 179.296 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -55.37 -39.5 70.19 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.631 -0.713 . . . . 54.13 111.049 -178.591 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . 0.447 ' HE2' ' HA ' ' A' ' 109' ' ' ALA . 50.8 mtmt -51.29 -49.67 60.82 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.151 -0.477 . . . . 74.23 110.845 178.203 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -75.86 -39.62 56.24 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 116.132 -0.485 . . . . 74.22 110.65 -176.593 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.443 ' HA ' ' HD2' ' A' ' 117' ' ' ARG . 50.8 mt -60.48 -48.85 79.97 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 120.751 0.31 . . . . 61.01 110.538 -177.238 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 98.0 t -64.43 -32.64 58.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.846 -0.615 . . . . 72.22 110.187 177.579 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . 0.411 ' O ' ' HD2' ' A' ' 120' ' ' HIS . 26.5 t70 -65.56 -61.33 2.16 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 116.398 -0.364 . . . . 63.5 110.687 179.51 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . 0.453 HH11 ' HD3' ' A' ' 117' ' ' ARG . 2.0 ptp180 -58.59 -38.16 77.36 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-O 120.657 0.265 . . . . 65.24 110.88 -178.603 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -58.39 -44.51 88.96 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.238 0.542 . . . . 63.41 109.904 172.526 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 52.3 t60 -79.1 12.94 2.0 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-N 115.964 -0.562 . . . . 74.13 110.584 177.299 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . 0.411 ' HB2' ' O ' ' A' ' 117' ' ' ARG . 8.3 m-70 -108.12 -49.15 3.24 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 123.326 0.651 . . . . 75.14 109.43 169.89 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 32.0 m -92.38 -2.91 10.68 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.303 0 CA-C-N 115.762 -0.654 . . . . 74.54 111.739 -173.757 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' CYS . . . . . 0.521 ' N ' ' HD3' ' A' ' 123' ' ' PRO . 65.2 m -137.65 58.15 15.76 Favored Pre-proline 0 CA--C 1.536 0.433 0 CA-C-O 121.003 0.43 . . . . 72.12 110.921 176.536 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' PRO . . . . . 0.521 ' HD3' ' N ' ' A' ' 122' ' ' CYS . 43.0 Cg_endo -99.62 159.84 0.57 Allowed 'Trans proline' 0 N--CA 1.453 -0.896 0 C-N-CA 123.232 2.621 . . . . 74.45 112.398 176.736 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -90.13 -11.61 40.72 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.651 -0.5 . . . . 65.44 109.651 171.393 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 44.9 p 178.16 163.28 0.67 Allowed 'General case' 0 C--O 1.232 0.169 0 CA-C-N 115.308 -0.86 . . . . 62.44 109.34 177.363 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -55.68 -31.23 62.24 Favored 'General case' 0 C--O 1.239 0.539 0 CA-C-O 121.972 0.891 . . . . 73.42 109.057 171.601 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -67.72 6.49 0.65 Allowed 'General case' 0 C--O 1.221 -0.441 0 CA-C-N 114.253 -1.339 . . . . 54.1 112.472 -178.409 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 6.0 t -88.86 -7.74 55.57 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 108.099 -1.075 . . . . 73.21 108.099 -172.411 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 4.2 ptp180 -146.06 -46.64 0.2 Allowed 'General case' 0 N--CA 1.441 -0.924 0 CA-C-N 114.562 -1.199 . . . . 72.04 111.856 -179.215 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 53.0 m-80 -72.19 -51.3 21.8 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.121 -0.491 . . . . 71.52 110.654 -175.024 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -84.92 -39.79 17.77 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.769 -0.651 . . . . 72.12 111.899 -173.738 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 61.9 t -110.52 137.15 44.13 Favored 'Isoleucine or valine' 0 C--O 1.235 0.341 0 CA-C-O 120.839 0.352 . . . . 70.22 110.665 -170.807 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -74.1 89.81 1.99 Allowed 'General case' 0 C--O 1.238 0.475 0 CA-C-O 121.657 0.741 . . . . 45.42 111.591 -177.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 40.2 t -105.71 102.48 13.92 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.766 0 CA-C-N 115.089 -0.959 . . . . 75.02 109.649 172.648 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . 0.63 ' HD3' ' HG2' ' A' ' 98' ' ' GLU . 75.9 ttt180 -71.77 97.12 1.72 Allowed 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 114.495 -1.23 . . . . 72.41 110.228 -177.865 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 59.3 mt -74.09 116.01 14.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.761 -0.654 . . . . 50.04 110.553 177.725 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . 0.454 ' O ' ' HA ' ' A' ' 100' ' ' ARG . 0.1 OUTLIER -126.41 114.82 39.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 115.534 -0.757 . . . . 74.42 109.859 -178.914 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 10.5 m -102.21 138.68 25.58 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.552 0 CA-C-O 121.506 0.67 . . . . 53.11 111.32 -177.688 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . 0.525 ' HB3' ' HA ' ' A' ' 102' ' ' ALA . . . . . . . . 0 C--N 1.313 -1.016 0 CA-C-N 114.346 -1.297 . . . . 73.13 110.697 -177.562 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 28.7 ptm . . . . . 0 C--O 1.234 0.28 0 CA-C-O 120.956 0.407 . . . . 72.42 110.843 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 53.8 t30 -96.06 85.19 3.97 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.781 -0.645 . . . . 61.35 109.839 -179.645 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . 0.475 HG21 ' HB2' ' B' ' 6' ' ' LYS . 30.4 mm -69.01 124.23 24.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-N 115.829 -0.623 . . . . 72.42 111.893 -179.143 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.744 ' HG ' ' HD3' ' A' ' 87' ' ' PRO . 87.2 mt -77.37 -40.78 42.69 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.072 -0.967 . . . . 75.25 109.97 174.263 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 5' ' ' TYR . . . . . . . . . . . . . 47.3 t80 -152.2 138.08 18.05 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 115.952 -0.567 . . . . 75.45 110.973 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . 0.475 ' HB2' HG21 ' B' ' 3' ' ' ILE . 31.0 ttmt -137.78 129.36 28.19 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.992 0.425 . . . . 65.01 110.755 176.317 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 9.9 t -118.34 164.07 15.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.42 -0.809 . . . . 72.52 109.194 178.528 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -133.21 150.11 51.99 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-O 121.3 0.571 . . . . 64.22 111.885 -175.078 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . 0.405 ' HA ' ' H ' ' B' ' 22' ' ' HIS . . . -145.03 116.99 8.28 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.691 -0.686 . . . . 31.45 109.898 177.128 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 9.3 t -92.66 118.07 30.65 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.102 0.477 . . . . 64.31 109.889 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 11' ' ' SER . . . . . 0.407 ' HB2' ' HB2' ' A' ' 56' ' ' ALA . 21.4 p -114.76 117.92 32.13 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.346 -0.388 . . . . 74.14 110.601 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 4.8 m -93.7 156.05 16.91 Favored 'General case' 0 C--O 1.24 0.599 0 CA-C-N 116.279 -0.419 . . . . 53.42 110.923 -178.378 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -83.13 72.29 2.87 Favored Glycine 0 N--CA 1.444 -0.789 0 N-CA-C 111.371 -0.692 . . . . 71.12 111.371 176.13 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -66.44 -154.89 0.31 Allowed Glycine 0 C--N 1.335 0.498 0 C-N-CA 121.042 -0.599 . . . . 73.4 112.408 177.403 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 39.7 ttm180 -53.85 -46.39 71.22 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 120.79 0.329 . . . . 65.14 110.145 -178.049 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 16' ' ' ASP . . . . . 0.516 ' HA ' ' HE3' ' A' ' 63' ' ' LYS . 11.0 t70 -125.75 -43.34 1.86 Allowed 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 109.914 -0.402 . . . . 65.33 109.914 171.671 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 17' ' ' GLY . . . . . 0.507 ' O ' ' HG3' ' B' ' 29' ' ' LYS . . . -171.04 156.49 26.61 Favored Glycine 0 C--N 1.345 1.05 0 C-N-CA 120.465 -0.874 . . . . 74.22 111.446 164.25 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 18' ' ' ARG . . . . . 0.625 ' HA ' ' HA ' ' B' ' 29' ' ' LYS . 0.0 OUTLIER -139.78 134.66 32.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 117.339 0.57 . . . . 74.4 109.797 178.816 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -133.8 128.0 33.84 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 120.74 0.305 . . . . 64.21 111.44 -175.784 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 20' ' ' THR . . . . . 0.432 HG23 ' O ' ' B' ' 26' ' ' LEU . 89.2 m -133.69 117.19 16.69 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.265 -0.425 . . . . 75.11 110.267 177.263 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 21' ' ' SER . . . . . 0.571 ' HB3' ' N ' ' B' ' 26' ' ' LEU . 14.9 t -73.77 113.58 11.08 Favored 'General case' 0 C--O 1.247 0.945 0 N-CA-C 108.467 -0.938 . . . . 74.21 108.467 175.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 22' ' ' HIS . . . . . 0.456 ' C ' ' H ' ' B' ' 24' ' ' GLN . 11.4 t-80 -49.98 -32.7 15.72 Favored 'General case' 0 N--CA 1.469 0.481 0 O-C-N 126.302 2.252 . . . . 73.12 112.984 -170.728 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -80.11 19.46 0.73 Allowed 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.194 0.521 . . . . 63.54 109.765 -175.404 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 24' ' ' GLN . . . . . 0.456 ' H ' ' C ' ' B' ' 22' ' ' HIS . 27.8 mm-40 65.77 21.91 11.51 Favored 'General case' 0 CA--C 1.519 -0.242 0 CA-C-N 115.029 -0.987 . . . . 71.43 109.43 178.832 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . 0.516 ' HB2' ' OG ' ' B' ' 21' ' ' SER . 9.7 mmpt? -80.66 -30.87 36.51 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 114.794 -1.094 . . . . 41.25 109.89 178.439 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . 0.571 ' N ' ' HB3' ' B' ' 21' ' ' SER . 56.9 tp -149.59 148.61 29.55 Favored 'General case' 0 C--N 1.345 0.412 0 C-N-CA 119.92 -0.712 . . . . 71.52 111.191 -177.094 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -158.26 90.86 1.06 Allowed 'General case' 0 N--CA 1.465 0.288 0 O-C-N 123.61 0.569 . . . . 53.33 109.754 174.175 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 28' ' ' VAL . . . . . 0.45 HG22 HD11 ' B' ' 26' ' ' LEU . 5.9 m -146.53 178.1 1.19 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.436 0 CA-C-O 121.473 0.654 . . . . 74.12 111.783 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.625 ' HA ' ' HA ' ' B' ' 18' ' ' ARG . 21.5 tttm -126.29 140.93 52.14 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 114.72 -1.127 . . . . 64.31 109.513 176.863 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . 0.549 ' HA ' ' H ' ' B' ' 44' ' ' THR . 0.0 OUTLIER -121.74 165.16 16.24 Favored 'General case' 0 C--O 1.257 1.472 0 CA-C-O 121.089 0.471 . . . . 72.32 110.201 178.129 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 31' ' ' SER . . . . . 0.473 ' HA ' ' HB3' ' B' ' 16' ' ' ASP . 50.1 m -162.18 129.33 3.81 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 115.389 -0.823 . . . . 62.35 111.479 -171.412 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -66.18 145.66 99.0 Favored Pre-proline 0 N--CA 1.453 -0.305 0 CA-C-N 116.011 -0.54 . . . . 75.13 109.815 172.739 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 33' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -68.26 4.83 1.4 Allowed 'Trans proline' 0 C--N 1.348 0.543 0 C-N-CA 122.833 2.356 . . . . 71.3 113.001 -175.279 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 34' ' ' ARG . . . . . 0.536 ' HB2' ' CA ' ' B' ' 40' ' ' GLY . 0.0 OUTLIER 76.23 -42.35 0.44 Allowed 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 123.667 0.787 . . . . 71.43 111.255 177.541 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 16.3 tp10 -43.73 -31.45 0.8 Allowed 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 123.611 0.765 . . . . 72.42 112.969 -173.211 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.539 ' HG ' HD12 ' B' ' 85' ' ' ILE . 1.6 mm? -95.88 -37.41 10.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.888 0.375 . . . . 63.52 110.31 -177.743 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 153.39 54.67 0.01 OUTLIER Glycine 0 C--N 1.331 0.275 0 CA-C-N 115.929 -0.578 . . . . 51.22 112.632 179.629 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . 0.454 ' H ' ' HA ' ' B' ' 34' ' ' ARG . . . -122.68 -139.01 5.44 Favored Glycine 0 N--CA 1.449 -0.477 0 N-CA-C 111.148 -0.781 . . . . 64.12 111.148 176.386 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -118.54 -11.34 9.93 Favored 'General case' 0 C--N 1.322 -0.629 0 C-N-CA 122.242 0.217 . . . . 71.25 111.557 -178.236 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 40' ' ' GLY . . . . . 0.536 ' CA ' ' HB2' ' B' ' 34' ' ' ARG . . . 54.3 64.08 4.61 Favored Glycine 0 C--N 1.334 0.42 0 CA-C-N 116.324 -0.398 . . . . 53.13 112.933 -178.281 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . 0.414 ' HB3' ' OG ' ' B' ' 31' ' ' SER . . . -114.75 172.15 7.21 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.019 0.437 . . . . 45.11 111.635 -177.056 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -66.55 77.29 0.11 Allowed 'General case' 0 CA--C 1.538 0.495 0 CA-C-N 115.441 -0.799 . . . . 74.14 111.226 177.541 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -159.57 -178.51 33.64 Favored Glycine 0 N--CA 1.453 -0.183 0 C-N-CA 120.533 -0.841 . . . . 72.12 113.107 177.701 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 44' ' ' THR . . . . . 0.549 ' H ' ' HA ' ' B' ' 30' ' ' LEU . 30.3 m -90.6 140.57 29.63 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 110.171 -0.307 . . . . 35.03 110.171 -178.763 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 45' ' ' ASN . . . . . 0.766 ' HB2' ' HB3' ' B' ' 48' ' ' GLN . 1.3 m-20 -61.07 138.66 94.3 Favored Pre-proline 0 C--N 1.328 -0.339 0 N-CA-C 109.63 -0.507 . . . . 71.14 109.63 178.325 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 46' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -58.03 -50.24 10.64 Favored 'Trans proline' 0 C--N 1.348 0.551 0 C-N-CA 122.655 2.237 . . . . 54.41 112.528 -179.541 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 47' ' ' GLU . . . . . 0.43 ' OE1' ' HB3' ' B' ' 45' ' ' ASN . 0.0 OUTLIER -64.05 -43.06 96.67 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-O 120.811 0.338 . . . . 73.03 110.148 179.693 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . 0.766 ' HB3' ' HB2' ' B' ' 45' ' ' ASN . 33.2 tt0 -59.1 -43.34 91.85 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.697 -0.683 . . . . 65.22 111.511 176.891 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -61.92 -48.25 81.3 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.43 -0.582 . . . . 73.15 109.43 179.709 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 20.1 t80 -60.8 -44.39 96.9 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.432 -0.804 . . . . 74.53 111.118 177.298 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . 0.452 ' HB2' HG11 ' B' ' 83' ' ' VAL . . . -53.58 -50.8 64.82 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.206 -0.452 . . . . 63.22 110.662 177.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -58.94 -45.99 89.08 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 115.693 -0.685 . . . . 74.31 110.684 178.354 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -64.63 -37.6 94.6 Favored Glycine 0 CA--C 1.52 0.393 0 CA-C-N 115.83 -0.623 . . . . 73.22 112.657 -179.549 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -72.1 -40.79 67.93 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 122.507 0.323 . . . . 73.14 110.168 -177.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 55' ' ' SER . . . . . 0.587 ' HB3' ' HB2' ' B' ' 81' ' ' ALA . 17.6 p -64.79 -46.19 83.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.879 0.371 . . . . 71.55 110.189 178.149 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 56' ' ' ALA . . . . . 0.491 ' HB1' HD21 ' A' ' 30' ' ' LEU . . . -62.77 -44.66 95.61 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 116.025 -0.534 . . . . 72.32 110.556 176.81 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 57' ' ' CYS . . . . . 0.47 ' HB2' ' HB3' ' A' ' 46' ' ' PRO . 39.1 t -61.15 -40.95 95.77 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.671 -0.695 . . . . 72.4 110.478 178.594 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 31.8 t80 -64.79 -36.49 84.47 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 116.044 -0.525 . . . . 52.32 109.924 -177.024 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 6.1 tt -69.72 -49.54 52.29 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 115.922 -0.581 . . . . 64.41 110.18 -179.139 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 60' ' ' SER . . . . . 0.552 ' O ' ' HB3' ' B' ' 63' ' ' LYS . 25.6 t -64.87 -41.59 95.53 Favored 'General case' 0 C--O 1.237 0.446 0 CA-C-O 121.228 0.537 . . . . 73.23 110.384 -179.433 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -64.66 -44.28 90.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 44.1 110.244 177.526 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 62' ' ' MET . . . . . 0.612 ' SD ' ' HB1' ' B' ' 118' ' ' ALA . 3.2 tpt -59.69 -37.18 78.11 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-O 121.3 0.572 . . . . 71.0 109.706 176.852 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . 0.552 ' HB3' ' O ' ' B' ' 60' ' ' SER . 80.6 tttt -58.9 -50.62 73.34 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 115.105 -0.952 . . . . 72.03 110.303 175.635 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 81.6 t80 -63.85 -44.54 92.86 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 116.313 -0.403 . . . . 73.11 110.931 178.448 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 44.1 t -56.28 -41.77 71.74 Favored 'Isoleucine or valine' 0 C--O 1.235 0.301 0 CA-C-N 116.086 -0.506 . . . . 75.05 110.976 -179.64 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -54.19 -32.95 56.99 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.013 0.435 . . . . 74.13 110.552 177.711 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -72.07 -26.2 72.94 Favored Glycine 0 N--CA 1.451 -0.308 0 CA-C-N 115.577 -0.738 . . . . 75.04 112.679 -177.128 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 68' ' ' GLN . . . . . 0.407 ' HG3' HD22 ' B' ' 69' ' ' ASN . 13.0 pt20 -99.1 -14.71 19.28 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 121.277 0.561 . . . . 64.5 109.509 179.16 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 69' ' ' ASN . . . . . 0.407 HD22 ' HG3' ' B' ' 68' ' ' GLN . 0.9 OUTLIER -94.54 -5.34 46.19 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.363 -0.835 . . . . 65.21 110.514 176.831 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 70' ' ' LYS . . . . . 0.49 ' HD3' ' N ' ' B' ' 70' ' ' LYS . 11.7 mmtp 67.07 24.23 9.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.229 -0.896 . . . . 73.12 110.859 173.5 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -112.48 168.04 9.97 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.568 -0.742 . . . . 74.24 110.11 178.789 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 1.2 p -127.15 134.68 50.15 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.923 -0.581 . . . . 74.12 110.207 -179.576 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 73' ' ' LEU . . . . . 0.514 HD11 ' HG3' ' B' ' 62' ' ' MET . 87.9 mt -109.3 144.76 30.42 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 116.371 -0.377 . . . . 75.15 110.996 -176.632 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 74' ' ' PRO . . . . . 0.645 ' HD2' HD11 ' B' ' 103' ' ' LEU . 24.6 Cg_exo -64.3 120.55 7.91 Favored 'Trans proline' 0 C--N 1.349 0.571 0 C-N-CA 122.596 2.197 . . . . 62.01 111.37 174.049 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -76.92 -3.6 39.59 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.907 0.384 . . . . 71.53 111.264 -177.158 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -91.77 10.23 29.33 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-O 121.382 0.61 . . . . 60.22 110.736 -179.393 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 77' ' ' THR . . . . . 0.492 ' HB ' HD12 ' B' ' 103' ' ' LEU . 9.1 t -80.79 172.75 13.36 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.933 -0.576 . . . . 73.25 112.204 -176.33 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 22.2 m -152.0 149.25 28.68 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 115.887 -0.597 . . . . 71.23 110.4 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 96.6 t -127.0 125.13 65.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 N-CA-C 109.867 -0.42 . . . . 54.24 109.867 176.72 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 80' ' ' THR . . . . . 0.495 ' HB ' ' HB2' ' B' ' 100' ' ' ARG . 24.2 m -110.7 113.57 26.27 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.118 -0.492 . . . . 72.42 110.253 -179.764 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 81' ' ' ALA . . . . . 0.587 ' HB2' ' HB3' ' B' ' 55' ' ' SER . . . -93.25 107.87 19.61 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.439 -0.346 . . . . 73.43 110.367 -178.748 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -102.25 115.47 30.62 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.519 -0.549 . . . . 71.23 109.519 178.232 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . 0.452 HG11 ' HB2' ' B' ' 51' ' ' ALA . 16.7 m -117.35 140.68 39.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 121.004 0.431 . . . . 71.44 111.1 -177.491 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 84' ' ' GLY . . . . . . . . . . . . . . . -132.01 149.09 19.31 Favored Glycine 0 N--CA 1.442 -0.904 0 N-CA-C 111.263 -0.735 . . . . 52.45 111.263 175.048 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 85' ' ' ILE . . . . . 0.539 HD12 ' HG ' ' B' ' 36' ' ' LEU . 0.0 OUTLIER -123.28 130.91 74.01 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 N-CA-C 109.258 -0.645 . . . . 73.1 109.258 -179.876 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 86' ' ' GLY . . . . . 0.556 ' HA2' ' HG ' ' A' ' 4' ' ' LEU . . . -141.63 170.29 24.84 Favored Glycine 0 C--N 1.332 0.315 0 O-C-N 124.033 0.833 . . . . 52.3 111.151 -176.08 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 87' ' ' PRO . . . . . 0.633 ' HD3' ' HG ' ' A' ' 4' ' ' LEU . 7.3 Cg_endo -81.24 126.18 5.47 Favored 'Trans proline' 0 N--CA 1.455 -0.751 0 C-N-CA 122.528 2.152 . . . . 61.3 112.05 -175.041 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 88' ' ' ASN . . . . . . . . . . . . . 54.0 t-20 -76.22 130.91 38.9 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 108.872 -0.788 . . . . 72.3 108.872 176.531 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -61.24 -15.21 32.27 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.953 0.406 . . . . 65.22 110.979 -177.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -67.18 -17.49 64.86 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 115.836 -0.62 . . . . 74.05 110.895 177.023 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.61 35.34 3.31 Favored Glycine 0 N--CA 1.454 -0.115 0 CA-C-N 115.972 -0.558 . . . . 72.2 111.767 -176.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . -150.05 -149.51 5.03 Favored Glycine 0 C--N 1.33 0.228 0 N-CA-C 111.325 -0.71 . . . . 70.13 111.325 178.184 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 93' ' ' PHE . . . . . . . . . . . . . 68.0 m-85 -111.48 162.88 14.63 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 117.054 0.427 . . . . 73.12 110.456 177.798 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -149.21 142.36 24.98 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.832 -0.622 . . . . 62.21 110.154 -179.172 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -102.6 149.19 24.67 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-O 121.052 0.453 . . . . 74.21 110.687 178.764 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 96' ' ' ASP . . . . . 0.458 ' HB3' HD11 ' A' ' 3' ' ' ILE . 48.5 t0 -137.04 110.18 7.77 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 108.093 -1.077 . . . . 73.53 108.093 175.636 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 97' ' ' VAL . . . . . 0.432 HG13 HG13 ' B' ' 134' ' ' VAL . 2.6 p -113.98 116.52 52.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 121.706 0.765 . . . . 65.34 111.514 -173.155 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 98' ' ' GLU . . . . . 0.566 ' HG2' ' HB2' ' B' ' 135' ' ' ARG . 49.6 mt-10 -104.41 113.55 27.18 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 114.839 -1.073 . . . . 74.42 109.433 178.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 90.5 mt -94.58 116.97 29.4 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.037 -0.528 . . . . 61.12 110.125 -177.617 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 100' ' ' ARG . . . . . 0.567 ' HA ' ' O ' ' B' ' 137' ' ' VAL . 98.5 mtt180 -99.03 120.13 38.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.093 -0.503 . . . . 64.11 110.112 -177.646 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 101' ' ' VAL . . . . . . . . . . . . . 83.9 t -105.33 112.3 38.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 115.537 -0.756 . . . . 60.12 110.646 -177.564 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -107.23 100.96 10.38 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.624 -0.509 . . . . 53.32 109.624 174.512 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 103' ' ' LEU . . . . . 0.845 HD23 HD22 ' B' ' 106' ' ' LEU . 23.7 tp -114.02 116.61 44.73 Favored Pre-proline 0 C--N 1.327 -0.383 0 N-CA-C 108.334 -0.987 . . . . 72.24 108.334 -179.433 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 104' ' ' PRO . . . . . 0.519 ' HD2' HD12 ' B' ' 103' ' ' LEU . 61.6 Cg_endo -71.19 145.72 49.71 Favored 'Trans proline' 0 N--CA 1.462 -0.324 0 C-N-CA 122.472 2.114 . . . . 74.24 113.664 -169.054 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 105' ' ' GLY . . . . . . . . . . . . . . . 70.57 14.86 72.71 Favored Glycine 0 CA--C 1.519 0.313 0 CA-C-N 114.693 -1.139 . . . . 72.34 112.76 -179.8 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 106' ' ' LEU . . . . . 0.845 HD22 HD23 ' B' ' 103' ' ' LEU . 30.9 tp -115.09 140.28 49.19 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-O 121.183 0.516 . . . . 60.53 111.927 -175.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -76.01 144.57 40.8 Favored 'General case' 0 N--CA 1.462 0.134 0 CA-C-N 115.529 -0.76 . . . . 63.12 110.242 174.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -64.03 -36.86 85.37 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.921 0.391 . . . . 34.32 110.824 -179.771 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -60.52 -51.39 69.66 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.089 -0.505 . . . . 64.51 110.462 179.288 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 110' ' ' ALA . . . . . 0.493 ' O ' HG22 ' B' ' 113' ' ' THR . . . -66.69 -37.76 85.39 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-O 121.21 0.528 . . . . 72.03 110.22 178.409 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 111' ' ' ALA . . . . . 0.444 ' HA ' HD21 ' B' ' 106' ' ' LEU . . . -57.01 -41.2 78.1 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.667 -0.697 . . . . 64.14 110.978 179.758 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 112' ' ' LYS . . . . . . . . . . . . . 59.5 mttp -54.94 -35.48 64.26 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 116.247 -0.433 . . . . 74.45 111.356 178.142 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 113' ' ' THR . . . . . 0.493 HG22 ' O ' ' B' ' 110' ' ' ALA . 0.6 OUTLIER -82.25 -35.78 27.78 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-O 120.727 0.299 . . . . 72.03 110.608 179.326 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 58.8 mt -66.8 -45.26 78.95 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-O 120.852 0.358 . . . . 70.23 110.799 -178.526 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 115' ' ' VAL . . . . . 0.522 HG21 HG12 ' B' ' 138' ' ' VAL . 57.8 t -65.72 -32.4 58.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 121.087 0.47 . . . . 63.55 110.128 177.283 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -60.32 -61.18 2.79 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.768 -0.651 . . . . 75.43 110.585 177.509 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 117' ' ' ARG . . . . . 0.412 ' HG2' ' O ' ' B' ' 113' ' ' THR . 7.0 ptm180 -61.52 -36.39 80.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.663 -0.699 . . . . 70.2 110.787 -178.292 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 118' ' ' ALA . . . . . 0.612 ' HB1' ' SD ' ' B' ' 62' ' ' MET . . . -65.04 -47.34 77.72 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.493 -0.776 . . . . 61.11 111.241 178.639 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -74.77 -0.32 17.85 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-O 120.794 0.33 . . . . 74.31 111.024 -174.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 15.0 t60 -65.93 -44.17 85.89 Favored 'General case' 0 C--N 1.332 -0.196 0 N-CA-C 108.824 -0.806 . . . . 61.52 108.824 173.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 23.5 m -89.89 59.58 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.34 -0.846 . . . . 63.42 109.468 175.664 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 122' ' ' CYS . . . . . 0.425 ' HA ' ' HD3' ' B' ' 123' ' ' PRO . 41.8 t -65.13 114.99 17.33 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 115.119 -0.946 . . . . 74.53 109.982 -177.76 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 123' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' B' ' 122' ' ' CYS . 53.1 Cg_exo -55.07 -50.71 12.23 Favored 'Trans proline' 0 C--N 1.352 0.713 0 C-N-CA 123.248 2.632 . . . . 65.25 113.125 -173.168 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 124' ' ' TYR . . . . . 0.716 ' HB3' HG21 ' B' ' 128' ' ' THR . 23.3 t80 . . . . . 0 CA--C 1.534 0.355 0 CA-C-N 116.475 -0.329 . . . . 65.35 110.69 -176.316 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 128' ' ' THR . . . . . 0.716 HG21 ' HB3' ' B' ' 124' ' ' TYR . 1.4 t . . . . . 0 N--CA 1.457 -0.083 0 N-CA-C 109.494 -0.558 . . . . 55.14 109.494 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 129' ' ' ARG . . . . . 0.432 ' HG3' ' N ' ' B' ' 130' ' ' ASN . 13.3 ptm180 -121.95 -43.89 2.33 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-N 115.597 -0.728 . . . . 75.21 110.38 178.447 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 130' ' ' ASN . . . . . 0.432 ' N ' ' HG3' ' B' ' 129' ' ' ARG . 13.7 m120 -78.48 -51.99 9.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.078 -0.51 . . . . 74.14 110.323 178.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 131' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -73.56 -43.98 58.53 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.937 -0.574 . . . . 75.43 110.519 -178.609 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 132' ' ' VAL . . . . . . . . . . . . . 55.9 t -86.18 144.93 8.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.939 -0.573 . . . . 52.13 109.839 178.77 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 133' ' ' ALA . . . . . 0.654 ' HB1' ' NH1' ' B' ' 135' ' ' ARG . . . -78.97 101.38 7.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.97 0.414 . . . . 72.23 111.334 -176.767 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 134' ' ' VAL . . . . . 0.432 HG13 HG13 ' B' ' 97' ' ' VAL . 6.8 t -120.88 134.77 63.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 115.751 -0.659 . . . . 61.1 110.611 178.748 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 135' ' ' ARG . . . . . 0.654 ' NH1' ' HB1' ' B' ' 133' ' ' ALA . 1.7 mpt_? -114.38 120.49 40.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.119 -0.492 . . . . 74.32 110.017 175.64 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 136' ' ' LEU . . . . . 0.422 HD13 HG12 ' B' ' 115' ' ' VAL . 72.8 mt -87.16 107.08 18.3 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.336 0.589 . . . . 72.41 110.879 178.494 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 137' ' ' VAL . . . . . 0.567 ' O ' ' HA ' ' B' ' 100' ' ' ARG . 0.2 OUTLIER -112.14 115.18 49.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.256 -0.884 . . . . 72.22 110.105 -179.035 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 138' ' ' VAL . . . . . 0.522 HG12 HG21 ' B' ' 115' ' ' VAL . 2.8 m -98.56 138.48 23.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.846 -0.616 . . . . 70.52 110.12 -177.663 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 139' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.292 0 CA-C-N 115.722 -0.672 . . . . 71.35 110.903 -176.038 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.402 ' HE1' ' HB3' ' B' ' 94' ' ' ALA . 16.9 ptt? . . . . . 0 N--CA 1.484 1.227 0 N-CA-C 110.027 -0.36 . . . . 71.43 110.027 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 53.5 t30 -70.62 71.78 0.5 Allowed 'General case' 0 CA--C 1.534 0.327 0 CA-C-O 121.364 0.602 . . . . 75.52 110.496 175.62 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.525 HG21 ' HB2' ' A' ' 6' ' ' LYS . 24.8 mm -75.9 134.03 29.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.803 -0.635 . . . . 51.02 111.497 177.594 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.718 ' HG ' ' HA2' ' B' ' 86' ' ' GLY . 60.8 mt -88.62 -46.83 8.74 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.215 -0.902 . . . . 74.21 109.092 171.014 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 42.3 t80 -139.7 132.61 29.3 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 115.872 -0.604 . . . . 54.43 110.255 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.525 ' HB2' HG21 ' A' ' 3' ' ' ILE . 30.0 ttmt -139.48 134.41 32.24 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.74 0.305 . . . . 62.42 110.391 175.614 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 15.2 t -143.13 170.58 15.45 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.615 -0.513 . . . . 73.02 109.615 177.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.484 ' HA ' ' HA ' ' B' ' 82' ' ' GLU . . . -133.83 156.47 47.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.287 0.565 . . . . 64.34 112.33 -173.866 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -132.6 121.39 23.14 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.348 -0.842 . . . . 65.14 108.879 171.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.472 ' HA ' ' HA ' ' B' ' 80' ' ' THR . 8.1 t -100.27 120.63 40.21 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.715 -0.476 . . . . 73.43 109.715 -176.042 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 97.7 p -103.57 120.5 41.01 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.032 -0.531 . . . . 71.32 110.178 -179.636 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.64 ' HA ' HG22 ' B' ' 78' ' ' THR . 3.3 m -96.71 156.79 16.19 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.432 -0.349 . . . . 72.12 110.165 179.146 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -75.1 66.15 2.22 Favored Glycine 0 N--CA 1.443 -0.867 0 C-N-CA 120.91 -0.662 . . . . 62.44 112.626 176.285 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -63.17 -165.24 0.6 Allowed Glycine 0 C--N 1.34 0.766 0 C-N-CA 120.808 -0.711 . . . . 62.02 111.994 171.574 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 96.0 mtt180 -47.38 -48.18 25.95 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 116.941 0.371 . . . . 73.04 111.1 -176.608 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.552 ' HB3' ' HA ' ' A' ' 31' ' ' SER . 23.4 t0 -125.79 -43.0 1.88 Allowed 'General case' 0 CA--C 1.515 -0.401 0 N-CA-C 109.37 -0.604 . . . . 74.22 109.37 166.843 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -158.85 147.95 16.27 Favored Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 119.504 -1.332 . . . . 73.12 112.475 169.209 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 45.5 ttp180 -123.28 144.38 49.45 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.459 -0.941 . . . . 73.24 108.459 172.019 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -136.42 123.78 21.98 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.818 -0.438 . . . . 71.12 109.818 -177.596 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.401 ' HA ' ' O ' ' A' ' 26' ' ' LEU . 11.2 m -130.76 114.3 15.18 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.261 -0.427 . . . . 63.53 110.497 -176.317 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.613 ' CB ' ' HB3' ' A' ' 26' ' ' LEU . 35.9 t -66.6 108.03 2.3 Favored 'General case' 0 C--O 1.254 1.33 0 N-CA-C 107.418 -1.327 . . . . 62.3 107.418 175.679 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 30.8 t-80 -62.99 -9.07 8.62 Favored 'General case' 0 C--N 1.349 0.576 0 O-C-N 126.703 2.502 . . . . 71.44 111.603 -171.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.445 ' OD1' ' HE3' ' A' ' 25' ' ' LYS . 27.7 t70 -79.72 8.43 6.67 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 108.204 -1.035 . . . . 73.43 108.204 173.723 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 29.9 mm-40 70.95 28.92 3.12 Favored 'General case' 0 CA--C 1.516 -0.331 0 CA-C-N 114.3 -1.318 . . . . 72.53 110.597 172.455 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.445 ' HE3' ' OD1' ' A' ' 23' ' ' ASP . 18.6 ptpt -117.47 -10.12 10.73 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.839 -0.618 . . . . 73.44 112.348 -179.363 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.613 ' HB3' ' CB ' ' A' ' 21' ' ' SER . 59.9 tp -140.78 139.94 34.68 Favored 'General case' 0 C--O 1.219 -0.515 0 C-N-CA 118.246 -1.381 . . . . 74.42 111.766 177.405 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -152.65 98.46 2.35 Favored 'General case' 0 C--O 1.235 0.299 0 N-CA-C 109.01 -0.737 . . . . 74.13 109.01 173.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 2.9 m -135.65 177.97 5.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.611 -0.722 . . . . 62.12 111.344 -177.538 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 11.6 ttpp -138.28 137.7 37.72 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.533 -0.758 . . . . 62.42 110.357 -179.115 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.628 ' HA ' ' H ' ' A' ' 44' ' ' THR . 0.0 OUTLIER -125.87 164.47 20.67 Favored 'General case' 0 C--O 1.255 1.357 0 CA-C-N 115.892 -0.595 . . . . 64.12 110.382 178.229 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.552 ' HA ' ' HB3' ' A' ' 16' ' ' ASP . 29.7 m -161.64 137.22 7.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.18 -0.918 . . . . 75.34 110.355 -174.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -80.93 117.19 66.97 Favored Pre-proline 0 C--O 1.241 0.629 0 CA-C-N 116.126 -0.488 . . . . 52.21 109.962 174.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 81.3 Cg_exo -47.5 139.52 17.4 Favored 'Trans proline' 0 C--N 1.35 0.649 0 C-N-CA 122.762 2.308 . . . . 73.33 111.451 176.616 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.507 ' HB2' ' CA ' ' A' ' 40' ' ' GLY . 12.0 ttt180 -78.67 9.66 3.92 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.783 0.325 . . . . 50.12 111.607 -170.241 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -51.57 -43.92 62.58 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.825 -0.625 . . . . 75.14 111.173 -178.855 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 55.7 mt -108.91 29.69 7.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.762 -0.654 . . . . 63.44 110.988 -174.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 79.65 49.17 6.26 Favored Glycine 0 C--N 1.331 0.285 0 C-N-CA 120.824 -0.703 . . . . 72.22 112.01 -178.169 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.498 ' H ' ' HA ' ' A' ' 34' ' ' ARG . . . -103.24 -133.66 8.04 Favored Glycine 0 N--CA 1.453 -0.207 0 N-CA-C 112.114 -0.394 . . . . 73.44 112.114 -178.162 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -102.09 -42.02 6.22 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.977 0.418 . . . . 63.22 110.844 -177.814 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.507 ' CA ' ' HB2' ' A' ' 34' ' ' ARG . . . 75.21 92.67 0.17 Allowed Glycine 0 N--CA 1.449 -0.463 0 CA-C-N 115.855 -0.611 . . . . 45.53 112.31 -175.82 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.442 ' HB3' ' CB ' ' A' ' 31' ' ' SER . . . -161.87 176.5 10.77 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.024 0.44 . . . . 44.21 111.124 178.818 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -77.5 2.43 16.31 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 115.247 -0.888 . . . . 71.23 111.206 -178.033 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -68.08 175.46 28.0 Favored Glycine 0 C--O 1.237 0.327 0 CA-C-N 115.781 -0.645 . . . . 55.55 113.495 -172.805 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.628 ' H ' ' HA ' ' A' ' 30' ' ' LEU . 9.5 m -95.02 158.22 15.56 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.785 -0.45 . . . . 74.01 109.785 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.42 ' HB2' ' HB3' ' A' ' 48' ' ' GLN . 9.7 m120 -79.52 124.08 84.01 Favored Pre-proline 0 CA--C 1.534 0.328 0 N-CA-C 110.194 -0.298 . . . . 72.33 110.194 179.05 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -56.05 -51.39 9.64 Favored 'Trans proline' 0 CA--C 1.537 0.632 0 C-N-CA 122.872 2.381 . . . . 63.04 112.85 178.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -56.98 -38.35 72.91 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-O 121.257 0.551 . . . . 62.13 110.068 179.682 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.437 ' OE1' ' HB2' ' B' ' 21' ' ' SER . 0.9 OUTLIER -62.29 -40.54 96.61 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 115.56 -0.745 . . . . 72.35 109.898 176.358 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.482 HD12 ' HA3' ' B' ' 53' ' ' GLY . 2.6 tm? -62.14 -44.23 97.09 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.485 -0.561 . . . . 71.11 109.485 -178.521 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 54.6 t80 -63.61 -47.83 79.81 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.487 -0.324 . . . . 64.45 110.771 176.533 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.511 ' HB1' ' HB1' ' A' ' 81' ' ' ALA . . . -57.41 -52.72 64.21 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 116.21 -0.45 . . . . 52.03 110.988 -179.345 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.64 -35.3 79.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.893 -0.594 . . . . 51.43 110.513 179.467 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -63.57 -41.78 99.06 Favored Glycine 0 N--CA 1.449 -0.447 0 N-CA-C 111.624 -0.59 . . . . 45.35 111.624 175.793 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -60.46 -54.56 44.02 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.529 -0.545 . . . . 71.4 109.529 178.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 27.4 p -63.42 -37.83 88.79 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.251 -0.431 . . . . 50.31 111.038 -177.516 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.27 -42.45 88.44 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-O 121.01 0.433 . . . . 72.41 110.666 177.616 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 74.0 m -66.07 -36.44 83.21 Favored 'General case' 0 C--N 1.332 -0.163 0 N-CA-C 109.46 -0.571 . . . . 74.4 109.46 177.251 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 44.5 t80 -60.33 -33.29 72.19 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.208 -0.905 . . . . 64.12 110.462 -178.814 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -63.83 -56.5 14.94 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 115.895 -0.593 . . . . 74.12 109.586 179.351 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.522 ' O ' ' HB3' ' A' ' 63' ' ' LYS . 4.1 t -66.85 -28.19 68.15 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-N 116.127 -0.488 . . . . 74.4 109.963 -178.863 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.34 -45.9 82.36 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-N 116.172 -0.467 . . . . 64.15 109.982 176.196 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 75.0 mmm -61.8 -31.2 71.41 Favored 'General case' 0 N--CA 1.461 0.109 0 CA-C-N 115.868 -0.605 . . . . 61.32 110.316 176.488 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.522 ' HB3' ' O ' ' A' ' 60' ' ' SER . 23.4 ttmt -61.65 -51.97 66.29 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.622 -0.51 . . . . 62.32 109.622 174.017 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 45.2 t80 -57.71 -42.84 84.58 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 115.872 -0.604 . . . . 70.35 110.493 178.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 72.4 t -61.8 -50.42 80.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.109 -0.496 . . . . 51.41 110.717 178.155 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.531 ' HA ' ' HG3' ' A' ' 71' ' ' GLN . . . -60.34 -31.01 69.9 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.998 -0.546 . . . . 55.45 110.269 179.741 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -74.5 -27.0 66.34 Favored Glycine 0 N--CA 1.451 -0.326 0 CA-C-N 115.152 -0.931 . . . . 65.01 112.216 -176.533 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -95.24 -21.95 18.12 Favored 'General case' 0 CA--C 1.521 -0.141 0 N-CA-C 109.233 -0.654 . . . . 73.33 109.233 -179.259 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 24.2 m-80 -95.65 4.15 53.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.28 -0.873 . . . . 73.35 111.431 -179.366 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.424 ' N ' ' HD3' ' A' ' 70' ' ' LYS . 21.2 mmtm 58.86 30.64 20.37 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.678 -0.692 . . . . 70.5 110.598 173.302 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.531 ' HG3' ' HA ' ' A' ' 66' ' ' ALA . 2.9 pt20 -116.9 167.65 10.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.665 -0.698 . . . . 65.11 110.005 179.608 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 12.8 p -132.2 126.13 32.81 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.125 -0.489 . . . . 71.13 110.861 -177.116 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.411 ' HA ' ' HD3' ' A' ' 74' ' ' PRO . 0.2 OUTLIER -109.5 140.17 21.85 Favored Pre-proline 0 CA--C 1.535 0.377 0 CA-C-N 115.993 -0.549 . . . . 63.13 110.498 -179.696 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.506 ' HB2' ' HG2' ' A' ' 104' ' ' PRO . 52.6 Cg_exo -58.24 135.72 70.03 Favored 'Trans proline' 0 C--N 1.348 0.519 0 C-N-CA 123.161 2.574 . . . . 75.32 113.125 -178.503 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -77.18 1.29 18.81 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 120.962 0.411 . . . . 74.43 111.77 179.146 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -91.0 7.61 39.47 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.433 0.635 . . . . 72.44 110.42 179.192 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.506 ' HB ' HD12 ' A' ' 103' ' ' LEU . 8.1 t -77.11 159.24 29.94 Favored 'General case' 0 C--O 1.238 0.449 0 CA-C-N 115.59 -0.732 . . . . 73.42 111.742 -177.751 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 32.3 m -153.5 149.33 27.59 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.847 -0.615 . . . . 65.01 110.006 -179.395 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 90.9 t -127.35 133.41 68.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 N-CA-C 109.345 -0.613 . . . . 73.54 109.345 177.539 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.461 ' HB ' ' HB3' ' A' ' 100' ' ' ARG . 19.5 m -109.96 112.64 24.77 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.433 -0.349 . . . . 61.0 110.529 -179.181 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.511 ' HB1' ' HB1' ' A' ' 51' ' ' ALA . . . -93.52 109.2 20.81 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.999 -0.546 . . . . 75.0 109.775 176.023 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.451 ' HB3' ' HB3' ' A' ' 98' ' ' GLU . 31.3 tt0 -106.79 107.74 18.91 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.399 -0.593 . . . . 74.0 109.399 -178.392 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.588 HG23 HG22 ' A' ' 97' ' ' VAL . 10.9 p -109.53 140.31 28.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 120.922 0.392 . . . . 74.25 111.224 -175.163 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.446 ' HA2' ' HA ' ' B' ' 6' ' ' LYS . . . -145.47 170.0 26.9 Favored Glycine 0 N--CA 1.446 -0.654 0 CA-C-N 115.984 -0.553 . . . . 64.22 112.106 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.441 HD11 ' CD2' ' A' ' 93' ' ' PHE . 0.0 OUTLIER -145.94 135.61 17.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 N-CA-C 109.801 -0.444 . . . . 71.32 109.801 -178.044 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -143.99 169.94 26.03 Favored Glycine 0 CA--C 1.52 0.361 0 N-CA-C 111.226 -0.749 . . . . 64.2 111.226 178.145 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.692 ' HD3' ' HG ' ' B' ' 4' ' ' LEU . 58.8 Cg_endo -73.54 134.11 19.97 Favored 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.147 1.898 . . . . 75.13 112.145 -176.807 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 52.4 t-20 -87.18 142.71 27.71 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.384 -0.826 . . . . 63.43 109.636 -178.616 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -60.95 -17.93 54.29 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-O 121.08 0.467 . . . . 74.31 110.719 179.493 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -67.14 -23.78 65.83 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 115.478 -0.783 . . . . 62.35 110.463 176.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.21 32.32 4.35 Favored Glycine 0 N--CA 1.45 -0.4 0 CA-C-N 115.557 -0.747 . . . . 52.42 111.322 -175.54 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -146.18 -128.66 1.97 Allowed Glycine 0 N--CA 1.45 -0.408 0 N-CA-C 111.613 -0.595 . . . . 74.12 111.613 -178.784 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.441 ' CD2' HD11 ' A' ' 85' ' ' ILE . 45.1 m-85 -124.24 154.07 40.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.122 0.487 . . . . 72.25 111.114 -177.754 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -139.23 128.33 23.82 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.43 -0.805 . . . . 73.43 109.12 178.395 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -98.98 140.67 32.78 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 121.067 0.46 . . . . 75.45 111.387 -175.291 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -126.24 112.31 15.59 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.068 -0.969 . . . . 62.1 109.333 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.588 HG22 HG23 ' A' ' 83' ' ' VAL . 46.9 t -121.69 110.9 28.91 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.812 0 CA-C-O 120.893 0.377 . . . . 41.42 110.551 -177.165 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.451 ' HB3' ' HB3' ' A' ' 82' ' ' GLU . 34.7 tt0 -101.53 128.03 47.95 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 116.186 -0.461 . . . . 51.52 110.347 -177.746 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 91.5 mt -111.04 106.89 16.11 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-O 121.042 0.449 . . . . 73.33 110.053 179.296 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.502 ' HA ' HG13 ' A' ' 137' ' ' VAL . 57.5 ttt180 -101.85 107.75 19.03 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.229 -0.896 . . . . 73.43 109.835 -175.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 49.1 t -103.24 101.86 12.81 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.262 0 CA-C-O 120.39 0.138 . . . . 72.23 110.962 -171.547 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -97.46 101.5 13.05 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-O 120.79 0.329 . . . . 73.1 110.753 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.923 HD23 HD22 ' A' ' 106' ' ' LEU . 43.4 tp -113.6 116.28 45.98 Favored Pre-proline 0 C--N 1.329 -0.309 0 N-CA-C 109.059 -0.719 . . . . 73.31 109.059 178.675 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . 0.566 ' HD2' HD12 ' A' ' 103' ' ' LEU . 72.3 Cg_endo -76.24 155.6 37.33 Favored 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 122.517 2.144 . . . . 73.52 112.129 -175.813 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 71.18 15.27 74.47 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.805 -0.712 . . . . 54.45 112.026 -179.288 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.923 HD22 HD23 ' A' ' 103' ' ' LEU . 20.4 tp -121.67 143.72 49.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.995 0.426 . . . . 65.03 110.915 -175.239 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -78.99 147.22 32.99 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.741 -0.663 . . . . 72.42 110.505 173.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.58 ' O ' ' HG3' ' A' ' 112' ' ' LYS . . . -65.74 -42.93 90.38 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.735 0.303 . . . . 74.35 110.378 178.178 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -56.54 -42.3 78.27 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.987 -0.551 . . . . 64.13 110.653 178.13 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 0.547 ' O ' HG22 ' A' ' 113' ' ' THR . . . -73.07 -40.03 65.39 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.773 -0.649 . . . . 73.25 110.442 178.887 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -55.48 -40.65 71.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.916 -0.584 . . . . 54.13 110.623 179.305 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . 0.58 ' HG3' ' O ' ' A' ' 108' ' ' ALA . 65.3 mttm -51.13 -43.84 61.26 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.547 -0.751 . . . . 74.23 111.002 177.309 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . 0.547 HG22 ' O ' ' A' ' 110' ' ' ALA . 1.1 t -81.41 -33.41 32.24 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.446 -0.343 . . . . 74.22 110.793 -175.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.445 ' HG ' ' O ' ' A' ' 110' ' ' ALA . 41.6 mt -64.85 -48.71 73.32 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.387 -0.369 . . . . 61.01 110.573 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.559 HG21 HG12 ' A' ' 138' ' ' VAL . 94.7 t -64.89 -35.64 75.75 Favored 'Isoleucine or valine' 0 C--O 1.241 0.617 0 CA-C-N 116.234 -0.439 . . . . 72.22 110.126 178.46 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . 0.542 ' O ' ' HB2' ' A' ' 120' ' ' HIS . 12.2 t70 -59.43 -61.28 2.74 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 115.728 -0.669 . . . . 63.5 110.192 177.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . 0.517 ' O ' HG22 ' A' ' 121' ' ' VAL . 10.1 ptm180 -61.52 -35.04 76.58 Favored 'General case' 0 CA--C 1.521 -0.164 0 CA-C-N 116.342 -0.39 . . . . 65.24 110.297 -176.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -56.51 -56.1 25.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.74 -0.663 . . . . 63.41 110.782 178.007 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 95.2 m-70 -76.41 -8.09 56.42 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 120.999 -0.28 . . . . 74.13 111.015 178.213 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . 0.542 ' HB2' ' O ' ' A' ' 116' ' ' ASP . 2.4 t-160 -86.11 -33.05 21.02 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.355 -0.384 . . . . 75.14 110.483 -177.85 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.517 HG22 ' O ' ' A' ' 117' ' ' ARG . 20.1 m -118.65 -11.8 11.0 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.429 0 N-CA-C 112.236 0.458 . . . . 74.54 112.236 -176.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' CYS . . . . . 0.516 ' SG ' HG23 ' A' ' 121' ' ' VAL . 42.9 m -137.56 66.36 50.01 Favored Pre-proline 0 N--CA 1.469 0.52 0 CA-C-O 120.89 0.376 . . . . 72.12 110.826 178.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_endo -102.72 163.97 0.28 Allowed 'Trans proline' 0 N--CA 1.456 -0.714 0 C-N-CA 123.317 2.678 . . . . 74.45 113.598 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -82.95 -168.15 1.95 Allowed 'General case' 0 C--O 1.237 0.403 0 N-CA-C 108.508 -0.923 . . . . 65.44 108.508 166.287 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . 0.596 ' O ' HG22 ' A' ' 128' ' ' THR . 14.0 m -44.64 131.55 6.71 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-O 120.81 0.338 . . . . 62.44 111.075 179.805 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 126' ' ' ASN . . . . . 0.516 ' O ' ' HG2' ' A' ' 129' ' ' ARG . 46.0 m-20 -57.34 -42.3 81.68 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-O 121.524 0.678 . . . . 73.42 109.784 -177.771 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . 0.614 ' O ' ' HB3' ' A' ' 131' ' ' ASN . . . -75.28 6.35 4.53 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.318 -0.855 . . . . 54.1 112.211 -178.85 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 128' ' ' THR . . . . . 0.596 HG22 ' O ' ' A' ' 125' ' ' SER . 0.7 OUTLIER -108.44 -6.26 16.26 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 109.403 -0.592 . . . . 73.21 109.403 176.873 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . 0.516 ' HG2' ' O ' ' A' ' 126' ' ' ASN . 10.2 ptt180 -116.38 -42.07 3.06 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 115.918 -0.583 . . . . 72.04 110.649 178.755 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 53.0 m-80 -78.58 -56.51 4.37 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 116.38 -0.373 . . . . 71.52 110.916 176.395 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 131' ' ' ASN . . . . . 0.614 ' HB3' ' O ' ' A' ' 127' ' ' ALA . 2.9 t-20 -63.32 -43.63 97.25 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 115.946 -0.57 . . . . 72.12 110.533 -178.12 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 41.0 t -88.39 125.92 41.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.594 -0.73 . . . . 70.22 109.189 176.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -68.18 93.32 0.44 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.301 0.572 . . . . 45.42 111.041 -174.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . 0.491 ' HA ' ' O ' ' A' ' 97' ' ' VAL . 59.3 t -98.99 124.35 52.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.458 -0.792 . . . . 75.02 110.766 177.556 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 11.3 tpt180 -95.87 113.43 25.05 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.432 -0.803 . . . . 72.41 109.896 -179.477 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 31.0 mt -89.83 115.95 27.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.861 0.363 . . . . 50.04 111.048 179.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . 0.502 HG13 ' HA ' ' A' ' 100' ' ' ARG . 0.2 OUTLIER -129.38 119.07 47.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 121.374 0.607 . . . . 74.42 110.444 -179.657 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . 0.559 HG12 HG21 ' A' ' 115' ' ' VAL . 3.0 m -95.42 139.01 19.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.751 -0.659 . . . . 53.11 110.269 -179.852 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.318 -0.777 0 CA-C-N 115.966 -0.561 . . . . 73.13 110.858 -176.488 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 26.8 ptm . . . . . 0 C--O 1.234 0.287 0 CA-C-O 121.186 0.517 . . . . 72.42 110.857 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 2' ' ' ASN . . . . . 0.57 ' O ' ' HD2' ' A' ' 87' ' ' PRO . 35.6 t30 -91.31 82.9 5.43 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.452 -0.795 . . . . 61.35 109.85 -179.517 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . 0.529 HG21 ' HB2' ' B' ' 6' ' ' LYS . 27.6 mm -73.52 129.17 36.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 116.087 -0.506 . . . . 72.42 111.537 179.575 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.692 ' HG ' ' HD3' ' A' ' 87' ' ' PRO . 84.2 mt -87.64 -43.28 12.07 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.523 -0.762 . . . . 75.25 109.803 174.042 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 5' ' ' TYR . . . . . . . . . . . . . 33.9 t80 -138.84 128.92 25.34 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 115.966 -0.561 . . . . 75.45 110.575 -177.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . 0.529 ' HB2' HG21 ' B' ' 3' ' ' ILE . 32.3 ttmt -138.61 142.81 39.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.952 0.406 . . . . 65.01 111.111 175.579 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 7.1 t -139.24 143.06 37.84 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.693 -0.685 . . . . 72.52 109.327 176.399 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . 0.429 ' O ' ' HB3' ' B' ' 22' ' ' HIS . . . -105.96 151.78 24.16 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.315 -0.402 . . . . 64.22 110.8 -177.638 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . 0.429 ' HA ' ' H ' ' B' ' 22' ' ' HIS . . . -137.96 123.1 19.21 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.171 -0.468 . . . . 31.45 110.187 177.31 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 5.2 t -99.55 110.82 23.24 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.466 0.65 . . . . 64.31 109.859 -179.235 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 11' ' ' SER . . . . . 0.437 ' HA ' ' HA ' ' B' ' 19' ' ' ALA . 20.9 p -101.87 113.53 26.81 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.881 -0.599 . . . . 74.14 110.41 178.352 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 2.6 m -95.11 155.68 16.63 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.863 -0.608 . . . . 53.42 110.831 -176.703 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -79.48 74.83 2.18 Favored Glycine 0 N--CA 1.448 -0.564 0 C-N-CA 121.005 -0.617 . . . . 71.12 112.413 176.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -66.97 -148.41 0.1 OUTLIER Glycine 0 CA--C 1.525 0.669 0 C-N-CA 121.102 -0.571 . . . . 73.4 112.213 173.679 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . 0.403 HH11 ' HD2' ' B' ' 15' ' ' ARG . 0.5 OUTLIER -56.31 -50.47 71.36 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.962 0.381 . . . . 65.14 110.706 178.515 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 16' ' ' ASP . . . . . 0.56 ' HB3' ' HA ' ' B' ' 31' ' ' SER . 24.8 t70 -125.87 -42.53 1.9 Allowed 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.314 -0.625 . . . . 65.33 109.314 173.711 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -166.14 155.76 27.22 Favored Glycine 0 N--CA 1.444 -0.805 0 C-N-CA 120.185 -1.007 . . . . 74.22 111.787 165.19 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 18' ' ' ARG . . . . . 0.511 ' HA ' ' HA ' ' B' ' 29' ' ' LYS . 39.0 ttp180 -135.86 137.7 41.74 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 108.831 -0.803 . . . . 74.4 108.831 174.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 19' ' ' ALA . . . . . 0.437 ' HA ' ' HA ' ' B' ' 11' ' ' SER . . . -134.15 124.08 25.46 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 123.213 0.32 . . . . 64.21 110.304 -176.063 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 41.3 m -130.84 113.5 14.15 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.4 -0.364 . . . . 75.11 110.41 179.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 21' ' ' SER . . . . . 0.553 ' HB3' ' N ' ' B' ' 26' ' ' LEU . 48.1 t -68.84 107.16 2.95 Favored 'General case' 0 C--O 1.248 0.981 0 N-CA-C 107.523 -1.288 . . . . 74.21 107.523 175.109 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 22' ' ' HIS . . . . . 0.447 ' C ' ' H ' ' B' ' 24' ' ' GLN . 1.8 t-80 -47.84 -35.37 10.14 Favored 'General case' 0 N--CA 1.466 0.375 0 O-C-N 126.099 2.124 . . . . 73.12 112.878 -168.537 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -80.38 25.59 0.4 Allowed 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.299 0.571 . . . . 63.54 110.531 -176.78 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 24' ' ' GLN . . . . . 0.447 ' H ' ' C ' ' B' ' 22' ' ' HIS . 27.4 mm-40 64.62 24.49 13.0 Favored 'General case' 0 CA--C 1.515 -0.37 0 CA-C-N 114.959 -1.018 . . . . 71.43 110.093 175.165 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . 0.564 ' HE2' ' HA ' ' B' ' 25' ' ' LYS . 9.8 mmpt? -85.47 -26.05 26.53 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 114.872 -1.058 . . . . 41.25 110.186 178.657 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . 0.553 ' N ' ' HB3' ' B' ' 21' ' ' SER . 41.6 tp -158.1 151.42 23.21 Favored 'General case' 0 CA--C 1.506 -0.725 0 C-N-CA 120.058 -0.657 . . . . 71.52 111.834 -179.502 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -161.09 90.77 0.84 Allowed 'General case' 0 N--CA 1.444 -0.726 0 CA-C-N 115.226 -0.897 . . . . 53.33 110.261 179.382 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 8.9 m -143.99 178.19 1.89 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.585 0 CA-C-O 121.326 0.584 . . . . 74.12 112.516 -177.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.511 ' HA ' ' HA ' ' B' ' 18' ' ' ARG . 13.4 ttmt -127.24 144.92 50.94 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 114.698 -1.137 . . . . 64.31 109.703 178.425 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . 0.765 ' HA ' ' H ' ' B' ' 44' ' ' THR . 0.0 OUTLIER -125.95 160.25 30.49 Favored 'General case' 0 C--O 1.255 1.391 0 CA-C-O 121.002 0.43 . . . . 72.32 110.59 175.107 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 31' ' ' SER . . . . . 0.56 ' HA ' ' HB3' ' B' ' 16' ' ' ASP . 35.2 m -153.89 122.77 6.37 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 115.228 -0.896 . . . . 62.35 111.368 -175.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.33 133.36 93.2 Favored Pre-proline 0 C--O 1.241 0.628 0 CA-C-N 115.67 -0.696 . . . . 75.13 110.234 174.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 33' ' ' PRO . . . . . . . . . . . . . 10.7 Cg_endo -52.75 132.91 48.53 Favored 'Trans proline' 0 C--N 1.349 0.57 0 C-N-CA 122.735 2.29 . . . . 71.3 111.32 179.656 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 34' ' ' ARG . . . . . 0.452 ' NH1' ' HA2' ' B' ' 37' ' ' GLY . 0.1 OUTLIER -62.62 -13.86 36.48 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 116.429 -0.351 . . . . 71.43 110.38 -176.733 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -48.58 -44.1 36.51 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-O 121.277 0.561 . . . . 72.42 110.837 176.383 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 26.1 mt -99.33 18.48 17.56 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.279 -0.873 . . . . 63.52 110.592 -174.65 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 37' ' ' GLY . . . . . 0.452 ' HA2' ' NH1' ' B' ' 34' ' ' ARG . . . 72.48 33.74 60.89 Favored Glycine 0 N--CA 1.453 -0.216 0 N-CA-C 111.612 -0.595 . . . . 51.22 111.612 -177.214 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -75.24 -77.44 0.7 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 121.046 -0.597 . . . . 64.12 112.598 -176.292 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -166.71 -33.17 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.696 0.284 . . . . 71.25 111.405 -179.086 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 67.88 79.91 0.23 Allowed Glycine 0 C--N 1.334 0.44 0 C-N-CA 121.01 -0.614 . . . . 53.13 112.322 -177.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -148.81 179.2 8.02 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.707 0.289 . . . . 45.11 110.85 -178.721 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -80.11 5.11 15.21 Favored 'General case' 0 N--CA 1.466 0.364 0 N-CA-C 112.424 0.527 . . . . 74.14 112.424 -175.657 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -72.86 179.9 37.34 Favored Glycine 0 CA--C 1.521 0.451 0 C-N-CA 121.001 -0.619 . . . . 72.12 113.064 -177.443 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 44' ' ' THR . . . . . 0.765 ' H ' ' HA ' ' B' ' 30' ' ' LEU . 14.5 p -96.16 154.42 17.26 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 110.254 -0.276 . . . . 35.03 110.254 179.815 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 45' ' ' ASN . . . . . 0.649 ' HB2' ' HB3' ' B' ' 48' ' ' GLN . 1.7 m-20 -73.37 134.2 80.05 Favored Pre-proline 0 CA--C 1.538 0.506 0 N-CA-C 110.156 -0.313 . . . . 71.14 110.156 -177.211 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 46' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -60.39 -57.72 0.67 Allowed 'Trans proline' 0 C--N 1.355 0.888 0 C-N-CA 123.49 2.793 . . . . 54.41 113.663 -177.311 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 47' ' ' GLU . . . . . 0.541 ' OE1' ' HB3' ' B' ' 45' ' ' ASN . 0.0 OUTLIER -59.57 -35.31 74.02 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-O 121.071 0.462 . . . . 73.03 109.798 178.646 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . 0.649 ' HB3' ' HB2' ' B' ' 45' ' ' ASN . 0.8 OUTLIER -62.95 -38.45 91.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.651 -0.704 . . . . 65.22 110.118 173.354 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -62.82 -46.76 86.45 Favored 'General case' 0 C--O 1.235 0.31 0 N-CA-C 109.46 -0.57 . . . . 73.15 109.46 -178.363 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 27.9 t80 -62.3 -43.34 99.06 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 116.357 -0.383 . . . . 74.53 110.335 175.115 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.16 -45.03 79.84 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.11 -0.495 . . . . 63.22 110.989 177.301 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.54 -44.82 85.65 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.977 -0.556 . . . . 74.31 110.889 179.657 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . 0.482 ' HA3' HD12 ' A' ' 49' ' ' LEU . . . -61.06 -42.54 99.83 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.975 -0.631 . . . . 73.22 111.79 178.416 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 54' ' ' TYR . . . . . 0.551 ' HA ' ' SG ' ' B' ' 57' ' ' CYS . 0.8 OUTLIER -66.84 -52.2 46.54 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-O 120.841 0.353 . . . . 73.14 110.116 179.411 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 28.4 p -58.96 -37.97 78.01 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.488 -0.324 . . . . 71.55 110.736 -178.089 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 56' ' ' ALA . . . . . 0.535 ' HB1' HD21 ' A' ' 30' ' ' LEU . . . -73.08 -49.34 29.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.329 -0.396 . . . . 72.32 111.517 -179.343 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 57' ' ' CYS . . . . . 0.551 ' SG ' ' HA ' ' B' ' 54' ' ' TYR . 31.7 p -60.01 -36.26 76.84 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 116.376 -0.374 . . . . 72.4 110.357 -177.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 55.0 t80 -51.64 -34.1 36.41 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 115.839 -0.619 . . . . 52.32 111.122 -179.284 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -66.57 -48.93 68.06 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 120.694 0.283 . . . . 64.41 110.763 178.673 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 7.4 m -64.33 -44.37 91.76 Favored 'General case' 0 C--O 1.243 0.717 0 CA-C-O 121.548 0.689 . . . . 73.23 110.212 -179.655 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 61' ' ' ALA . . . . . 0.404 ' O ' HG23 ' B' ' 65' ' ' VAL . . . -59.37 -40.86 87.84 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.379 -0.828 . . . . 44.1 110.015 177.5 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 62' ' ' MET . . . . . 0.507 ' HG3' HD23 ' B' ' 73' ' ' LEU . 15.5 tpt -66.18 -32.76 74.4 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-N 115.895 -0.593 . . . . 71.0 110.318 179.02 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . 0.54 ' HA ' HD21 ' B' ' 73' ' ' LEU . 57.8 mttp -62.0 -48.08 81.93 Favored 'General case' 0 C--O 1.233 0.22 0 N-CA-C 109.631 -0.507 . . . . 72.03 109.631 174.583 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 58.9 t80 -56.52 -42.41 78.36 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 115.959 -0.564 . . . . 73.11 110.056 176.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 65' ' ' VAL . . . . . 0.404 HG23 ' O ' ' B' ' 61' ' ' ALA . 66.8 t -57.44 -51.55 68.28 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.145 0 CA-C-N 116.014 -0.539 . . . . 75.05 110.312 176.776 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 66' ' ' ALA . . . . . 0.474 ' HA ' ' HG3' ' B' ' 71' ' ' GLN . . . -57.77 -30.36 65.58 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.087 0.47 . . . . 74.13 110.477 179.078 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -70.68 -30.64 68.32 Favored Glycine 0 N--CA 1.45 -0.393 0 CA-C-N 115.447 -0.797 . . . . 75.04 112.46 -178.09 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -96.33 -17.63 20.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.489 0.662 . . . . 64.5 109.388 -178.723 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 69' ' ' ASN . . . . . 0.412 ' CB ' ' HG2' ' B' ' 71' ' ' GLN . 31.6 m-80 -97.96 -4.78 35.6 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.337 -0.847 . . . . 65.21 111.377 179.594 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 10.7 mptt 56.67 30.91 18.33 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-O 121.349 0.595 . . . . 73.12 111.147 177.198 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . 0.474 ' HG3' ' HA ' ' B' ' 66' ' ' ALA . 0.9 OUTLIER -111.82 168.83 9.26 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.519 -0.764 . . . . 74.24 110.589 -178.007 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 20.7 p -115.2 133.55 55.94 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.793 -0.64 . . . . 74.12 110.807 -179.199 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 73' ' ' LEU . . . . . 0.54 HD21 ' HA ' ' B' ' 63' ' ' LYS . 0.2 OUTLIER -109.44 149.66 40.1 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 75.15 110.996 179.362 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 74' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -79.43 127.58 7.44 Favored 'Trans proline' 0 CA--C 1.532 0.425 0 C-N-CA 122.766 2.311 . . . . 62.01 112.141 176.058 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -76.9 -6.82 54.0 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 121.235 0.541 . . . . 71.53 110.716 177.39 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -81.74 3.99 23.61 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 115.601 -0.727 . . . . 60.22 110.862 -179.027 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 77' ' ' THR . . . . . . . . . . . . . 8.8 t -81.67 167.76 18.83 Favored 'General case' 0 C--O 1.238 0.47 0 CA-C-N 115.876 -0.602 . . . . 73.25 111.998 -174.446 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 78' ' ' THR . . . . . 0.64 HG22 ' HA ' ' A' ' 12' ' ' THR . 0.9 OUTLIER -152.06 149.33 28.71 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 115.178 -0.919 . . . . 71.23 110.154 -179.611 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 75.0 t -133.64 112.65 17.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 121.277 0.561 . . . . 54.24 109.814 176.328 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 80' ' ' THR . . . . . 0.472 ' HA ' ' HA ' ' A' ' 10' ' ' THR . 27.0 m -102.45 110.58 22.57 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 115.898 -0.592 . . . . 72.42 110.5 -177.635 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -92.9 104.62 16.84 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.988 -0.551 . . . . 73.43 109.774 -179.765 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 82' ' ' GLU . . . . . 0.484 ' HA ' ' HA ' ' A' ' 8' ' ' ALA . 28.3 tt0 -104.18 107.64 18.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 71.23 109.869 -178.323 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . 0.45 HG12 HG22 ' B' ' 97' ' ' VAL . 29.9 m -103.35 146.25 11.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.98 -0.554 . . . . 71.44 110.894 -175.658 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 84' ' ' GLY . . . . . 0.43 ' HA2' ' HA ' ' A' ' 6' ' ' LYS . . . -134.77 159.97 24.1 Favored Glycine 0 N--CA 1.441 -0.986 0 N-CA-C 111.359 -0.696 . . . . 52.45 111.359 176.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -140.88 130.09 25.32 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.82 0 N-CA-C 109.271 -0.64 . . . . 73.1 109.271 -178.361 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 86' ' ' GLY . . . . . 0.718 ' HA2' ' HG ' ' A' ' 4' ' ' LEU . . . -148.0 169.81 28.7 Favored Glycine 0 N--CA 1.45 -0.385 0 O-C-N 124.343 1.027 . . . . 52.3 110.947 -178.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 87' ' ' PRO . . . . . 0.575 ' HD3' ' HG ' ' A' ' 4' ' ' LEU . 1.1 Cg_endo -81.65 123.15 4.16 Favored 'Trans proline' 0 N--CA 1.455 -0.784 0 C-N-CA 122.81 2.34 . . . . 61.3 111.608 -178.04 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 88' ' ' ASN . . . . . . . . . . . . . 50.4 t-20 -71.95 135.7 46.55 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 108.81 -0.811 . . . . 72.3 108.81 176.068 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -60.54 -16.74 40.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 123.268 0.355 . . . . 65.22 111.234 -178.065 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -67.33 -17.76 64.89 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-O 121.353 0.597 . . . . 74.05 110.62 176.332 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.59 35.26 3.34 Favored Glycine 0 N--CA 1.453 -0.21 0 CA-C-N 115.792 -0.64 . . . . 72.2 112.252 -179.398 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . -144.7 -154.42 6.13 Favored Glycine 0 N--CA 1.452 -0.256 0 N-CA-C 111.356 -0.698 . . . . 70.13 111.356 177.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 93' ' ' PHE . . . . . . . . . . . . . 65.4 m-85 -106.2 165.72 11.03 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.966 0.383 . . . . 73.12 110.191 176.052 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 94' ' ' ALA . . . . . 0.402 ' HB3' ' HE1' ' A' ' 1' ' ' MET . . . -149.29 133.21 17.07 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.178 -0.465 . . . . 62.21 110.041 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -101.72 121.14 41.5 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.997 -0.547 . . . . 74.21 110.124 179.208 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 96' ' ' ASP . . . . . 0.491 ' HB3' HD11 ' A' ' 3' ' ' ILE . 34.2 t70 -111.06 110.1 20.49 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.491 -0.777 . . . . 73.53 109.009 178.537 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 97' ' ' VAL . . . . . 0.884 ' HB ' HG22 ' B' ' 134' ' ' VAL . 61.0 t -111.08 110.89 33.87 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.779 0 C-N-CA 120.874 -0.33 . . . . 65.34 111.414 -173.825 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 98' ' ' GLU . . . . . 0.477 ' HG2' ' HB3' ' B' ' 135' ' ' ARG . 44.4 mt-10 -93.18 105.15 17.27 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.275 -0.639 . . . . 74.42 109.275 173.664 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 20.9 tp -93.73 109.2 20.87 Favored 'General case' 0 C--O 1.239 0.546 0 N-CA-C 109.377 -0.601 . . . . 61.12 109.377 -177.627 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 100' ' ' ARG . . . . . 0.551 ' HA ' ' O ' ' B' ' 137' ' ' VAL . 22.9 ttt180 -99.55 128.83 45.67 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.209 -0.905 . . . . 64.11 110.328 -173.04 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 101' ' ' VAL . . . . . . . . . . . . . 88.9 t -121.42 108.35 22.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.284 -0.417 . . . . 60.12 111.234 -174.567 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -99.35 101.34 12.59 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.635 -0.506 . . . . 53.32 109.635 175.131 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 103' ' ' LEU . . . . . 0.55 HD12 ' HD2' ' B' ' 104' ' ' PRO . 19.5 tp -121.41 109.0 35.15 Favored Pre-proline 0 CA--C 1.533 0.301 0 N-CA-C 109.719 -0.475 . . . . 72.24 109.719 -175.389 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 104' ' ' PRO . . . . . 0.55 ' HD2' HD12 ' B' ' 103' ' ' LEU . 81.3 Cg_endo -74.94 156.57 43.26 Favored 'Trans proline' 0 C--N 1.348 0.511 0 C-N-CA 123.037 2.492 . . . . 74.24 112.583 -173.412 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 105' ' ' GLY . . . . . . . . . . . . . . . 72.89 15.13 78.28 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.845 -0.693 . . . . 72.34 111.982 -179.615 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 106' ' ' LEU . . . . . 0.504 ' CD2' HD23 ' B' ' 103' ' ' LEU . 20.2 tp -138.12 139.58 39.51 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 122.737 0.415 . . . . 60.53 110.818 -175.572 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -73.18 143.41 47.22 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-N 115.9 -0.591 . . . . 63.12 110.166 175.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -64.4 -39.46 93.9 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.021 0.438 . . . . 34.32 110.589 177.201 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -56.77 -45.88 81.82 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.969 -0.559 . . . . 64.51 110.636 179.203 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 110' ' ' ALA . . . . . 0.594 ' O ' HG22 ' B' ' 113' ' ' THR . . . -74.09 -38.54 63.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.968 -0.56 . . . . 72.03 110.045 178.342 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -56.78 -34.61 67.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.759 -0.655 . . . . 64.14 111.088 -179.265 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 112' ' ' LYS . . . . . . . . . . . . . 55.9 mttp -54.17 -49.33 69.53 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 116.446 -0.343 . . . . 74.45 110.874 176.767 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 113' ' ' THR . . . . . 0.594 HG22 ' O ' ' B' ' 110' ' ' ALA . 2.6 t -74.58 -36.3 63.04 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-O 120.854 0.359 . . . . 72.03 110.527 -176.749 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 114' ' ' LEU . . . . . 0.461 ' HG ' ' O ' ' B' ' 110' ' ' ALA . 46.0 mt -64.25 -50.06 69.44 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 115.999 -0.546 . . . . 70.23 110.786 -178.815 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 115' ' ' VAL . . . . . . . . . . . . . 96.8 t -62.36 -37.39 78.56 Favored 'Isoleucine or valine' 0 C--O 1.24 0.59 0 CA-C-O 121.088 0.471 . . . . 63.55 109.87 178.478 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -59.85 -59.64 5.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.418 -0.81 . . . . 75.43 110.838 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 117' ' ' ARG . . . . . . . . . . . . . 14.2 ptm180 -64.15 -34.09 77.27 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 121.132 0.491 . . . . 70.2 110.198 -177.114 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -58.66 -38.98 79.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.614 -0.721 . . . . 61.11 109.695 174.373 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 119' ' ' HIS . . . . . 0.539 ' HB3' ' HD2' ' B' ' 129' ' ' ARG . 15.3 m80 -71.24 6.55 1.65 Allowed 'General case' 0 CA--C 1.533 0.298 0 N-CA-C 112.732 0.642 . . . . 74.31 112.732 177.366 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 19.3 t-80 -108.45 -38.25 5.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.603 0.239 . . . . 61.52 110.965 173.639 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 33.2 m -76.87 -30.45 18.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 N-CA-C 112.412 0.523 . . . . 63.42 112.412 -172.293 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 122' ' ' CYS . . . . . 0.401 ' HA ' ' HD3' ' B' ' 123' ' ' PRO . 23.2 p -106.38 141.69 23.31 Favored Pre-proline 0 C--O 1.237 0.424 0 CA-C-O 120.609 0.242 . . . . 74.53 111.597 -174.865 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 123' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' B' ' 122' ' ' CYS . 32.5 Cg_exo -58.8 169.05 3.65 Favored 'Trans proline' 0 C--N 1.354 0.83 0 C-N-CA 122.961 2.441 . . . . 65.25 111.368 174.034 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 124' ' ' TYR . . . . . . . . . . . . . 43.7 m-85 . . . . . 0 N--CA 1.47 0.528 0 C-N-CA 123.068 0.547 . . . . 65.35 109.527 -172.843 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 128' ' ' THR . . . . . 0.552 ' OG1' HG21 ' B' ' 134' ' ' VAL . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.282 0 CA-C-O 120.883 0.373 . . . . 55.14 110.252 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 129' ' ' ARG . . . . . 0.539 ' HD2' ' HB3' ' B' ' 119' ' ' HIS . 15.6 ptm180 -109.02 -51.47 2.88 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 116.688 -0.233 . . . . 75.21 110.5 -174.329 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 130' ' ' ASN . . . . . 0.442 ' ND2' ' HG3' ' B' ' 129' ' ' ARG . 0.2 OUTLIER -78.77 -52.89 7.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.984 0.421 . . . . 74.14 110.962 175.969 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 131' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -66.94 -43.95 81.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.747 -0.661 . . . . 75.43 110.978 -175.653 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 132' ' ' VAL . . . . . 0.406 HG12 ' N ' ' B' ' 133' ' ' ALA . 23.4 t -119.88 160.3 20.32 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.317 0 CA-C-N 116.24 -0.436 . . . . 52.13 111.209 -169.46 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 133' ' ' ALA . . . . . 0.406 ' N ' HG12 ' B' ' 132' ' ' VAL . . . -89.52 95.87 10.46 Favored 'General case' 0 C--O 1.244 0.776 0 CA-C-O 121.744 0.783 . . . . 72.23 111.12 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 134' ' ' VAL . . . . . 0.884 HG22 ' HB ' ' B' ' 97' ' ' VAL . 71.0 t -125.94 109.3 21.18 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.448 0 CA-C-N 115.038 -0.983 . . . . 61.1 110.867 -179.344 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 135' ' ' ARG . . . . . 0.477 ' HB3' ' HG2' ' B' ' 98' ' ' GLU . 27.2 tpt180 -70.96 110.94 5.97 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.549 -0.75 . . . . 74.32 109.575 175.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 136' ' ' LEU . . . . . 0.41 HD23 ' HA ' ' B' ' 136' ' ' LEU . 44.1 mt -79.87 107.45 12.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.178 -0.465 . . . . 72.41 110.325 177.626 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 137' ' ' VAL . . . . . 0.551 ' O ' ' HA ' ' B' ' 100' ' ' ARG . 0.3 OUTLIER -118.07 112.2 37.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.416 -0.811 . . . . 72.22 110.142 -178.118 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 138' ' ' VAL . . . . . . . . . . . . . 3.2 m -103.0 138.11 28.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.766 -0.652 . . . . 70.52 109.643 -178.236 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 139' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.301 0 CA-C-N 115.367 -0.833 . . . . 71.35 111.666 -171.489 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.5 ptm . . . . . 0 N--CA 1.486 1.335 0 N-CA-C 109.835 -0.432 . . . . 71.43 109.835 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 55.0 t30 -98.05 85.19 3.43 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.211 0.529 . . . . 75.52 109.887 -179.497 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.55 HG21 ' HB2' ' A' ' 6' ' ' LYS . 33.3 mm -70.09 126.06 29.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.572 -0.74 . . . . 51.02 111.717 -179.105 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.662 ' HG ' ' HD3' ' B' ' 87' ' ' PRO . 87.2 mt -81.27 -42.29 20.87 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.599 -0.728 . . . . 74.21 109.833 175.674 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 48.7 t80 -142.19 132.11 24.39 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 116.052 -0.522 . . . . 54.43 110.553 -178.476 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.55 ' HB2' HG21 ' A' ' 3' ' ' ILE . 27.6 ttmt -137.6 144.45 41.99 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.892 0.377 . . . . 62.42 110.159 176.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.644 HG21 HD21 ' B' ' 45' ' ' ASN . 10.9 t -142.84 143.53 32.15 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.662 -0.699 . . . . 73.02 109.995 -177.761 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.52 ' HA ' ' HA ' ' B' ' 82' ' ' GLU . . . -111.6 136.42 50.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 64.34 110.723 -177.278 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.54 ' HA ' ' HA ' ' A' ' 21' ' ' SER . . . -130.14 117.05 19.34 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.075 -0.512 . . . . 65.14 109.705 175.409 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.538 ' HA ' ' HA ' ' B' ' 80' ' ' THR . 6.5 t -95.38 129.58 42.48 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.053 0.454 . . . . 73.43 109.839 -177.612 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.405 ' HA ' ' O ' ' A' ' 18' ' ' ARG . 83.6 p -114.26 113.56 24.78 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.955 -0.566 . . . . 71.32 109.882 -179.639 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 5.0 m -107.07 160.17 15.75 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 116.202 -0.454 . . . . 72.12 110.858 -175.566 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -81.4 75.57 2.29 Favored Glycine 0 N--CA 1.446 -0.649 0 C-N-CA 120.661 -0.78 . . . . 62.44 111.954 175.082 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -59.82 -105.43 0.01 OUTLIER Glycine 0 C--N 1.342 0.878 0 C-N-CA 121.114 -0.565 . . . . 62.02 112.633 175.292 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 27.2 mmm180 -88.95 -48.68 7.27 Favored 'General case' 0 N--CA 1.465 0.295 0 O-C-N 122.356 -0.496 . . . . 73.04 110.333 175.355 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -125.65 -42.76 1.91 Allowed 'General case' 0 C--O 1.236 0.353 0 N-CA-C 108.906 -0.776 . . . . 74.22 108.906 170.059 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -161.84 161.47 33.33 Favored Glycine 0 N--CA 1.444 -0.801 0 N-CA-C 111.025 -0.83 . . . . 73.12 111.025 166.568 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.497 ' HA ' ' HA ' ' A' ' 29' ' ' LYS . 55.5 ttp180 -141.66 144.41 34.12 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 109.774 -0.454 . . . . 73.24 109.774 177.463 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.609 ' HB1' ' HB1' ' B' ' 52' ' ' ALA . . . -130.49 123.87 30.68 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.545 -0.539 . . . . 71.12 109.545 178.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.436 HG23 ' HB2' ' A' ' 27' ' ' ASP . 24.5 m -137.5 111.35 8.24 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.185 -0.461 . . . . 63.53 110.701 -175.457 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.54 ' HA ' ' HA ' ' A' ' 9' ' ' ALA . 46.1 t -72.3 109.03 5.75 Favored 'General case' 0 C--O 1.244 0.792 0 N-CA-C 107.64 -1.244 . . . . 62.3 107.64 175.717 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.401 ' C ' ' H ' ' A' ' 24' ' ' GLN . 85.0 t60 -54.1 -20.18 6.16 Favored 'General case' 0 N--CA 1.467 0.412 0 O-C-N 125.94 2.025 . . . . 71.44 112.636 -169.036 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.536 ' HB2' ' HE2' ' A' ' 25' ' ' LYS . 4.5 m-20 -80.28 16.08 1.39 Allowed 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.784 -0.45 . . . . 73.43 109.784 177.798 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.401 ' H ' ' C ' ' A' ' 22' ' ' HIS . 32.5 mm-40 64.86 16.01 10.22 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 115.395 -0.821 . . . . 72.53 110.321 -179.252 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.536 ' HE2' ' HB2' ' A' ' 23' ' ' ASP . 55.8 mtmt -84.33 -18.66 35.55 Favored 'General case' 0 N--CA 1.451 -0.425 0 CA-C-N 115.639 -0.71 . . . . 73.44 110.605 -179.488 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.54 ' N ' ' HB3' ' A' ' 21' ' ' SER . 55.7 tp -150.13 145.29 26.23 Favored 'General case' 0 C--N 1.342 0.258 0 C-N-CA 120.181 -0.608 . . . . 74.42 111.113 175.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.436 ' HB2' HG23 ' A' ' 20' ' ' THR . 18.7 t70 -162.85 95.39 0.88 Allowed 'General case' 0 C--O 1.233 0.232 0 O-C-N 123.636 0.585 . . . . 74.13 110.152 174.417 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.493 ' O ' ' HG3' ' A' ' 18' ' ' ARG . 3.4 m -145.35 176.59 1.96 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.504 0 CA-C-N 116.035 -0.529 . . . . 62.12 111.018 178.077 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.497 ' HA ' ' HA ' ' A' ' 18' ' ' ARG . 0.8 OUTLIER -125.86 144.16 50.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.809 -0.632 . . . . 62.42 110.314 -177.876 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.878 ' HA ' ' H ' ' A' ' 44' ' ' THR . 0.0 OUTLIER -128.55 167.65 16.82 Favored 'General case' 0 C--O 1.252 1.189 0 CA-C-O 121.065 0.459 . . . . 64.12 110.777 177.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.427 ' OG ' ' HB3' ' A' ' 41' ' ' ALA . 34.7 m -149.62 137.98 20.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.253 -0.885 . . . . 75.34 110.82 -175.406 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -76.1 131.31 75.91 Favored Pre-proline 0 C--O 1.24 0.588 0 CA-C-N 116.052 -0.522 . . . . 52.21 110.468 176.637 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.465 ' HG3' ' ND2' ' A' ' 45' ' ' ASN . 54.3 Cg_exo -52.14 119.58 5.99 Favored 'Trans proline' 0 C--N 1.35 0.646 0 C-N-CA 122.885 2.39 . . . . 73.33 111.835 178.752 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.593 ' HB2' ' N ' ' A' ' 40' ' ' GLY . 39.4 ttt85 -67.71 -16.0 63.92 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.821 0.343 . . . . 50.12 110.604 -176.2 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 51.2 mm-40 -49.73 -34.7 19.72 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 115.677 -0.692 . . . . 75.14 110.54 173.587 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 26.8 mt -101.05 11.68 39.11 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.176 -0.92 . . . . 63.44 110.816 -172.411 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 90.61 55.67 1.88 Allowed Glycine 0 C--N 1.332 0.328 0 CA-C-N 115.907 -0.588 . . . . 72.22 112.626 178.523 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.485 ' H ' ' HA ' ' A' ' 34' ' ' ARG . . . -133.34 -136.97 3.8 Favored Glycine 0 N--CA 1.452 -0.258 0 N-CA-C 111.884 -0.486 . . . . 73.44 111.884 -178.766 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -105.25 -29.74 10.12 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 111.626 0.232 . . . . 63.22 111.626 -175.613 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.593 ' N ' ' HB2' ' A' ' 34' ' ' ARG . . . 53.06 39.66 57.72 Favored Glycine 0 CA--C 1.521 0.418 0 C-N-CA 121.32 -0.466 . . . . 45.53 113.198 -175.517 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.427 ' HB3' ' OG ' ' A' ' 31' ' ' SER . . . -78.52 163.15 25.8 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 110.152 -0.314 . . . . 44.21 110.152 178.12 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -75.22 67.98 1.91 Allowed 'General case' 0 C--O 1.234 0.266 0 CA-C-O 121.444 0.64 . . . . 71.23 111.096 -178.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -125.62 -165.71 12.13 Favored Glycine 0 N--CA 1.448 -0.511 0 CA-C-N 115.753 -0.658 . . . . 55.55 112.186 179.366 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.878 ' H ' ' HA ' ' A' ' 30' ' ' LEU . 40.1 m -91.83 146.06 24.06 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.989 -0.375 . . . . 74.01 109.989 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.554 ' HB2' ' HB3' ' A' ' 48' ' ' GLN . 12.7 m120 -77.83 117.85 68.41 Favored Pre-proline 0 C--N 1.328 -0.336 0 N-CA-C 109.951 -0.389 . . . . 72.33 109.951 176.178 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 86.6 Cg_exo -47.17 -42.93 26.4 Favored 'Trans proline' 0 C--N 1.348 0.542 0 C-N-CA 122.516 2.144 . . . . 63.04 111.823 174.464 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.467 ' CD ' ' H ' ' A' ' 47' ' ' GLU . 1.9 mp0 -59.41 -50.44 73.94 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 115.599 -0.728 . . . . 62.13 109.523 178.334 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.554 ' HB3' ' HB2' ' A' ' 45' ' ' ASN . 0.9 OUTLIER -63.4 -34.31 77.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 114.989 -1.005 . . . . 72.35 110.967 -178.037 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.601 HD12 ' HA3' ' B' ' 53' ' ' GLY . 2.8 tm? -67.67 -52.76 34.22 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.528 -0.545 . . . . 71.11 109.528 -178.531 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 53.6 t80 -59.81 -45.69 91.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.027 -0.533 . . . . 64.45 110.611 178.01 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.418 ' HB2' HG11 ' A' ' 83' ' ' VAL . . . -51.7 -53.05 43.33 Favored 'General case' 0 C--O 1.238 0.474 0 CA-C-N 115.964 -0.562 . . . . 52.03 111.316 176.476 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.47 ' HB1' ' HB1' ' B' ' 19' ' ' ALA . . . -59.82 -48.13 82.94 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.576 -0.738 . . . . 51.43 111.174 -179.04 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.405 ' HA3' HD12 ' B' ' 49' ' ' LEU . . . -65.63 -38.05 94.21 Favored Glycine 0 CA--C 1.518 0.241 0 C-N-CA 121.061 -0.59 . . . . 45.35 112.708 -178.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.588 ' HA ' ' SG ' ' A' ' 57' ' ' CYS . 1.7 t80 -66.59 -45.01 80.61 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.215 0.531 . . . . 71.4 110.253 -178.795 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.678 ' OG ' ' HB2' ' A' ' 81' ' ' ALA . 24.0 m -68.52 -47.78 66.06 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.211 -0.449 . . . . 50.31 109.918 178.405 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.427 ' HB2' ' HB2' ' B' ' 19' ' ' ALA . . . -56.52 -38.53 71.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.986 -0.552 . . . . 72.41 110.81 179.458 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.588 ' SG ' ' HA ' ' A' ' 54' ' ' TYR . 29.7 p -73.59 -35.87 65.47 Favored 'General case' 0 N--CA 1.453 -0.317 0 N-CA-C 109.808 -0.442 . . . . 74.4 109.808 177.644 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 12.0 t80 -60.0 -35.57 75.33 Favored 'General case' 0 CA--C 1.533 0.32 0 N-CA-C 110.022 -0.362 . . . . 64.12 110.022 -179.435 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -62.26 -59.0 5.65 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 116.292 -0.413 . . . . 74.12 110.556 175.163 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.515 ' HA ' ' HD3' ' A' ' 63' ' ' LYS . 18.0 t -60.05 -32.97 71.43 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-O 121.007 0.432 . . . . 74.4 110.362 -178.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.427 ' O ' HG23 ' A' ' 65' ' ' VAL . . . -65.29 -44.72 87.05 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.03 -0.532 . . . . 64.15 109.905 177.475 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.45 -33.33 74.62 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.973 -0.558 . . . . 61.32 110.498 176.527 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.515 ' HD3' ' HA ' ' A' ' 60' ' ' SER . 9.3 mtpm? -66.09 -48.19 71.77 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.23 -0.441 . . . . 62.32 110.266 177.393 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 57.2 t80 -62.93 -45.88 90.39 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 116.146 -0.479 . . . . 70.35 110.289 177.806 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.427 HG23 ' O ' ' A' ' 61' ' ' ALA . 47.1 t -56.63 -50.74 72.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.887 -0.597 . . . . 51.41 110.34 177.17 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -57.37 -34.43 68.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.159 0.504 . . . . 55.45 110.167 179.075 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -67.23 -33.92 84.22 Favored Glycine 0 N--CA 1.448 -0.562 0 CA-C-N 115.093 -0.958 . . . . 65.01 111.951 -177.687 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.405 ' HG3' HD22 ' A' ' 69' ' ' ASN . 12.1 pt20 -96.28 -11.64 25.66 Favored 'General case' 0 C--O 1.224 -0.268 0 N-CA-C 109.473 -0.565 . . . . 73.33 109.473 -179.012 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.405 HD22 ' HG3' ' A' ' 68' ' ' GLN . 0.9 OUTLIER -96.26 0.15 50.52 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.686 -0.688 . . . . 73.35 111.053 178.896 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 22.9 mmtm 61.13 31.5 19.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.371 -0.831 . . . . 70.5 110.619 174.311 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -122.97 167.69 13.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.485 . . . . 65.11 110.704 -178.181 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 36.3 p -119.69 142.28 48.63 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.793 -0.64 . . . . 71.13 110.292 178.171 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 98.1 mt -109.28 143.91 28.68 Favored Pre-proline 0 C--N 1.326 -0.439 0 CA-C-N 116.282 -0.417 . . . . 63.13 110.375 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.509 ' O ' HG22 ' A' ' 77' ' ' THR . 43.5 Cg_exo -58.56 134.76 63.07 Favored 'Trans proline' 0 C--N 1.348 0.505 0 C-N-CA 123.027 2.484 . . . . 75.32 112.092 178.593 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -77.19 -1.93 31.96 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.692 0.627 . . . . 74.43 112.692 -176.57 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -106.54 8.02 31.12 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-O 121.216 0.532 . . . . 72.44 111.133 -177.785 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.509 HG22 ' O ' ' A' ' 74' ' ' PRO . 9.9 t -74.76 153.76 38.65 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-O 121.259 0.552 . . . . 73.42 111.454 -176.689 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 26.9 m -151.96 150.59 30.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.823 -0.626 . . . . 65.01 110.306 -177.16 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 82.0 t -125.94 128.16 71.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 N-CA-C 109.887 -0.412 . . . . 73.54 109.887 176.191 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 87.0 m -112.6 117.17 31.55 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 110.205 -0.295 . . . . 61.0 110.205 177.002 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.678 ' HB2' ' OG ' ' A' ' 55' ' ' SER . . . -93.22 117.21 29.81 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.173 -0.467 . . . . 75.0 109.984 178.037 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.6 ' HG2' ' HD3' ' B' ' 6' ' ' LYS . 30.9 tt0 -112.71 107.34 15.97 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 107.76 -1.2 . . . . 74.0 107.76 178.139 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.418 HG11 ' HB2' ' A' ' 51' ' ' ALA . 14.4 m -109.8 139.27 33.67 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-N 116.095 -0.502 . . . . 74.25 111.186 -171.679 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.425 ' HA2' ' HA ' ' B' ' 6' ' ' LYS . . . -138.32 161.8 25.68 Favored Glycine 0 N--CA 1.437 -1.3 0 CA-C-N 115.526 -0.761 . . . . 64.22 111.663 179.286 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -134.13 129.88 54.25 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.914 0 N-CA-C 108.832 -0.803 . . . . 71.32 108.832 178.037 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . 0.408 ' HA2' ' HG ' ' B' ' 4' ' ' LEU . . . -144.59 169.65 26.44 Favored Glycine 0 N--CA 1.453 -0.178 0 CA-C-N 115.495 -0.775 . . . . 64.2 111.366 179.7 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.701 ' HD3' ' HG ' ' B' ' 4' ' ' LEU . 61.8 Cg_endo -90.31 138.36 2.72 Favored 'Trans proline' 0 N--CA 1.452 -0.97 0 C-N-CA 122.827 2.351 . . . . 75.13 112.342 -178.648 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -94.74 147.87 22.87 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.789 -0.641 . . . . 63.43 109.569 178.205 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -63.37 -15.04 56.29 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.0 0.37 . . . . 74.31 112.0 -177.05 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -70.14 -21.46 63.08 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-O 121.034 0.445 . . . . 62.35 110.721 175.197 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.35 35.42 3.36 Favored Glycine 0 CA--C 1.518 0.257 0 CA-C-N 116.124 -0.489 . . . . 52.42 112.966 178.308 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -141.06 -172.62 13.15 Favored Glycine 0 C--N 1.33 0.217 0 N-CA-C 111.173 -0.771 . . . . 74.12 111.173 176.853 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 29.4 m-85 -97.9 155.85 16.88 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 117.25 0.525 . . . . 72.25 110.243 176.543 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.446 ' HB3' ' HE1' ' B' ' 1' ' ' MET . . . -139.48 127.47 22.27 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.003 -0.544 . . . . 73.43 109.876 -177.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -97.27 125.33 41.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.995 -0.548 . . . . 75.45 110.418 -179.601 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -110.11 113.1 25.53 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.097 -0.956 . . . . 62.1 109.613 178.606 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 60.4 t -107.79 110.58 32.42 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.107 0 N-CA-C 109.542 -0.54 . . . . 41.42 109.542 177.619 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -98.7 102.28 13.96 Favored 'General case' 0 C--N 1.315 -0.899 0 N-CA-C 109.506 -0.553 . . . . 51.52 109.506 -177.775 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.435 ' HB2' HD23 ' A' ' 136' ' ' LEU . 88.9 mt -93.81 107.83 19.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.268 -0.423 . . . . 73.33 110.063 -177.696 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.552 ' HA ' ' O ' ' A' ' 137' ' ' VAL . 98.1 mtt180 -99.2 118.23 35.44 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.887 -0.597 . . . . 73.43 109.87 179.633 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.681 ' HB ' HG13 ' A' ' 138' ' ' VAL . 43.7 t -111.75 105.31 18.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 116.332 -0.395 . . . . 72.23 110.32 -173.428 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.551 ' HA ' ' HB3' ' A' ' 139' ' ' ALA . . . -91.79 101.33 13.93 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.71 -0.478 . . . . 73.1 109.71 177.798 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 19.1 mt -109.67 104.03 54.43 Favored Pre-proline 0 C--O 1.233 0.188 0 CA-C-N 115.247 -0.888 . . . . 73.31 109.617 178.253 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . 0.411 ' HG2' ' CB ' ' A' ' 74' ' ' PRO . 61.1 Cg_endo -70.68 151.28 63.72 Favored 'Trans proline' 0 N--CA 1.463 -0.298 0 C-N-CA 122.559 2.173 . . . . 73.52 112.269 -177.449 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 69.9 15.2 71.35 Favored Glycine 0 CA--C 1.52 0.401 0 CA-C-N 115.793 -0.64 . . . . 54.45 112.866 -179.181 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.484 HD21 ' HA ' ' A' ' 111' ' ' ALA . 21.9 tp -130.9 140.78 50.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.811 0.339 . . . . 65.03 110.739 -177.606 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -77.1 136.74 38.65 Favored 'General case' 0 CA--C 1.521 -0.146 0 CA-C-N 115.975 -0.557 . . . . 72.42 110.661 176.46 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -53.73 -38.8 64.7 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.079 -0.51 . . . . 74.35 111.421 179.177 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -56.26 -51.71 67.15 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 115.992 -0.549 . . . . 64.13 110.989 -179.327 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 0.54 ' O ' HG22 ' A' ' 113' ' ' THR . . . -74.28 -34.62 63.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.683 0.754 . . . . 73.25 109.781 179.803 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . 0.484 ' HA ' HD21 ' A' ' 106' ' ' LEU . . . -55.8 -37.3 68.43 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 114.918 -1.037 . . . . 54.13 111.084 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -57.15 -49.32 76.31 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.069 -0.514 . . . . 74.23 110.919 176.849 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . 0.54 HG22 ' O ' ' A' ' 110' ' ' ALA . 1.2 t -71.07 -34.98 71.7 Favored 'General case' 0 C--N 1.332 -0.154 0 C-N-CA 121.025 -0.27 . . . . 74.22 110.466 -175.541 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.464 ' HG ' ' O ' ' A' ' 110' ' ' ALA . 45.2 mt -63.68 -51.59 64.43 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 120.849 0.357 . . . . 61.01 110.442 179.453 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 97.6 t -66.83 -32.5 58.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.1 -0.5 . . . . 72.22 110.707 178.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -62.61 -58.72 6.52 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 120.681 0.277 . . . . 63.5 110.375 178.309 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . 0.501 ' HG2' ' O ' ' A' ' 113' ' ' THR . 14.7 ptm180 -60.01 -38.89 83.98 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-O 121.01 0.433 . . . . 65.24 110.215 -179.151 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -61.39 -40.04 92.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.815 -0.63 . . . . 63.41 110.368 175.631 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . 0.467 ' CG ' HD11 ' A' ' 136' ' ' LEU . 7.8 t-80 -71.31 -4.35 25.52 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 115.604 -0.725 . . . . 74.13 110.741 179.356 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 36.6 m170 -100.21 -51.68 3.59 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 120.989 0.424 . . . . 75.14 110.327 176.383 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 35.4 m -69.89 -38.72 76.4 Favored 'Isoleucine or valine' 0 C--O 1.233 0.208 0 CA-C-N 115.502 -0.772 . . . . 74.54 113.0 -169.326 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' CYS . . . . . 0.418 ' N ' ' HD3' ' A' ' 123' ' ' PRO . 79.8 m -143.8 67.65 15.94 Favored Pre-proline 0 CA--C 1.534 0.33 0 N-CA-C 112.349 0.5 . . . . 72.12 112.349 -176.523 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' PRO . . . . . 0.418 ' HD3' ' N ' ' A' ' 122' ' ' CYS . 62.8 Cg_endo -101.71 -165.49 0.05 OUTLIER 'Trans proline' 0 N--CA 1.452 -0.957 0 C-N-CA 123.614 2.876 . . . . 74.45 111.213 169.758 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' TYR . . . . . 0.53 ' CE2' ' SG ' ' A' ' 57' ' ' CYS . 4.4 m-30 -81.22 -19.2 43.73 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 120.891 0.377 . . . . 65.44 110.141 173.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . 0.425 ' O ' HG22 ' A' ' 128' ' ' THR . 38.5 t 176.9 165.04 0.5 Allowed 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 115.499 -0.773 . . . . 62.44 109.137 177.613 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 126' ' ' ASN . . . . . 0.52 ' O ' ' HG2' ' A' ' 129' ' ' ARG . 27.1 t-20 -66.99 -31.4 71.95 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.705 0.764 . . . . 73.42 109.146 172.657 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . 0.516 ' O ' ' HB3' ' A' ' 131' ' ' ASN . . . -65.07 6.54 0.24 Allowed 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 114.794 -1.093 . . . . 54.1 112.423 179.085 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 128' ' ' THR . . . . . 0.44 HG23 ' CE1' ' A' ' 119' ' ' HIS . 13.0 t -88.34 -2.65 58.72 Favored 'General case' 0 CA--C 1.51 -0.571 0 N-CA-C 108.191 -1.041 . . . . 73.21 108.191 -173.592 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . 0.52 ' HG2' ' O ' ' A' ' 126' ' ' ASN . 2.6 ptm180 -127.71 -48.19 1.39 Allowed 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 114.937 -1.029 . . . . 72.04 112.06 -177.798 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 130' ' ' ASN . . . . . 0.428 ' ND2' ' H ' ' A' ' 130' ' ' ASN . 0.4 OUTLIER -78.4 -51.93 9.32 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-O 121.269 0.557 . . . . 71.52 110.893 178.384 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 131' ' ' ASN . . . . . 0.516 ' HB3' ' O ' ' A' ' 127' ' ' ALA . 4.7 t-20 -71.55 -44.04 65.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.285 -0.87 . . . . 72.12 111.207 -175.592 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 41.1 t -113.68 133.3 60.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.737 -0.665 . . . . 70.22 110.225 -170.781 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -73.6 89.68 1.74 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.734 0.778 . . . . 45.42 111.259 -177.809 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 65.5 t -112.32 105.14 18.22 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.67 0 CA-C-N 115.129 -0.942 . . . . 75.02 109.887 174.199 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 73.0 ttt180 -76.06 103.07 5.94 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.123 -0.944 . . . . 72.41 110.308 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.467 HD11 ' CG ' ' A' ' 119' ' ' HIS . 30.7 mt -80.26 120.0 23.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.302 -0.408 . . . . 50.04 110.06 176.091 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . 0.552 ' O ' ' HA ' ' A' ' 100' ' ' ARG . 0.1 OUTLIER -129.63 114.63 31.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 N-CA-C 108.855 -0.794 . . . . 74.42 108.855 177.929 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . 0.681 HG13 ' HB ' ' A' ' 101' ' ' VAL . 2.4 t -112.22 133.73 57.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-O 120.976 0.417 . . . . 53.11 110.077 -175.09 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . 0.551 ' HB3' ' HA ' ' A' ' 102' ' ' ALA . . . . . . . . 0 C--N 1.322 -0.608 0 CA-C-N 115.604 -0.726 . . . . 73.13 111.01 -175.034 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . 0.576 ' HE3' HD13 ' B' ' 3' ' ' ILE . 20.5 ptt? . . . . . 0 C--O 1.233 0.216 0 CA-C-O 120.688 0.28 . . . . 72.42 110.915 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 50.9 t30 -77.39 73.13 3.96 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 121.478 0.656 . . . . 61.35 110.521 178.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . 0.576 HD13 ' HE3' ' B' ' 1' ' ' MET . 25.7 mm -60.17 132.09 25.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.259 -0.882 . . . . 72.42 111.314 175.125 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.701 ' HG ' ' HD3' ' A' ' 87' ' ' PRO . 93.8 mt -83.62 -48.19 10.47 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.663 -0.699 . . . . 75.25 110.197 176.457 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 5' ' ' TYR . . . . . . . . . . . . . 35.5 t80 -135.54 126.47 27.66 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 116.333 -0.394 . . . . 75.45 110.704 -179.323 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . 0.6 ' HD3' ' HG2' ' A' ' 82' ' ' GLU . 28.7 ttmt -134.43 135.72 42.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.998 0.428 . . . . 65.01 110.936 177.026 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 10.9 t -134.01 150.34 51.23 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 115.593 -0.731 . . . . 72.52 109.058 177.546 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . 0.451 ' HB2' ' HG3' ' A' ' 82' ' ' GLU . . . -121.82 143.51 49.36 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-O 121.193 0.52 . . . . 64.22 111.81 -173.782 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . 0.608 ' HA ' ' H ' ' B' ' 22' ' ' HIS . . . -139.16 130.95 27.54 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.735 -0.666 . . . . 31.45 110.352 178.512 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 90.2 m -103.02 124.04 47.75 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.103 -0.499 . . . . 64.31 110.732 -178.059 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 73.9 p -114.94 118.9 34.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.836 0.351 . . . . 74.14 110.409 177.19 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 3.1 m -101.02 155.65 17.86 Favored 'General case' 0 C--O 1.238 0.452 0 CA-C-N 116.289 -0.414 . . . . 53.42 110.585 -179.753 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -83.62 74.79 2.47 Favored Glycine 0 N--CA 1.449 -0.47 0 N-CA-C 111.535 -0.626 . . . . 71.12 111.535 176.205 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -63.33 -100.29 0.01 OUTLIER Glycine 0 C--N 1.335 0.494 0 N-CA-C 111.998 -0.441 . . . . 73.4 111.998 178.662 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 16.7 mmt180 -88.83 -55.53 3.66 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.852 0.358 . . . . 65.14 110.079 172.453 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 16' ' ' ASP . . . . . 0.548 ' HB3' ' HA ' ' B' ' 31' ' ' SER . 37.0 t70 -126.2 -42.81 1.83 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.067 -0.515 . . . . 65.33 109.727 173.611 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -160.3 146.68 12.93 Favored Glycine 0 C--N 1.342 0.872 0 C-N-CA 120.491 -0.861 . . . . 74.22 111.724 166.68 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 18' ' ' ARG . . . . . 0.465 ' HA ' ' HA ' ' B' ' 29' ' ' LYS . 3.1 tmm_? -135.52 105.68 6.31 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 108.768 -0.827 . . . . 74.4 108.768 178.233 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 19' ' ' ALA . . . . . 0.47 ' HB1' ' HB1' ' A' ' 52' ' ' ALA . . . -101.28 123.93 46.17 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.41 -0.359 . . . . 64.21 110.757 -174.63 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 20' ' ' THR . . . . . 0.424 HG23 ' O ' ' B' ' 26' ' ' LEU . 50.1 m -132.51 117.49 18.07 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.201 -0.454 . . . . 75.11 110.659 -176.474 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 21' ' ' SER . . . . . 0.54 ' HB3' ' N ' ' B' ' 26' ' ' LEU . 27.4 t -67.2 110.39 3.46 Favored 'General case' 0 C--O 1.248 0.983 0 N-CA-C 106.858 -1.534 . . . . 74.21 106.858 174.212 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 22' ' ' HIS . . . . . 0.608 ' H ' ' HA ' ' B' ' 9' ' ' ALA . 22.8 t60 -50.43 -38.44 43.25 Favored 'General case' 0 N--CA 1.471 0.583 0 O-C-N 126.506 2.379 . . . . 73.12 112.682 -162.634 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . 0.472 ' OD2' ' HE2' ' B' ' 25' ' ' LYS . 12.6 p30 -80.41 23.82 0.48 Allowed 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 115.898 -0.592 . . . . 63.54 110.679 -177.698 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 24' ' ' GLN . . . . . 0.407 ' H ' ' C ' ' B' ' 22' ' ' HIS . 31.3 mm-40 68.54 22.34 7.72 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 115.153 -0.93 . . . . 71.43 111.281 174.396 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . 0.472 ' HE2' ' OD2' ' B' ' 23' ' ' ASP . 44.8 mtmt -79.84 -25.25 40.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.321 -0.4 . . . . 41.25 110.685 174.486 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . 0.54 ' N ' ' HB3' ' B' ' 21' ' ' SER . 27.7 tp -154.35 148.88 26.28 Favored 'General case' 0 CA--C 1.505 -0.776 0 C-N-CA 119.542 -0.863 . . . . 71.52 112.243 -178.16 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -154.59 101.72 2.35 Favored 'General case' 0 N--CA 1.444 -0.734 0 CA-C-N 114.743 -1.117 . . . . 53.33 109.942 178.304 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 3.6 m -145.14 176.36 2.15 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.643 0 CA-C-O 121.557 0.694 . . . . 74.12 112.267 178.556 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.465 ' HA ' ' HA ' ' B' ' 18' ' ' ARG . 19.5 ttmt -135.35 144.57 46.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 114.808 -1.087 . . . . 64.31 109.982 -178.546 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . 0.734 ' HA ' ' H ' ' B' ' 44' ' ' THR . 0.0 OUTLIER -129.83 159.74 35.63 Favored 'General case' 0 C--O 1.253 1.275 0 CA-C-N 116.256 -0.429 . . . . 72.32 110.123 173.114 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 31' ' ' SER . . . . . 0.548 ' HA ' ' HB3' ' B' ' 16' ' ' ASP . 50.0 m -157.07 137.87 13.32 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 115.41 -0.814 . . . . 62.35 110.724 -177.16 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 32' ' ' ALA . . . . . 0.409 ' HA ' ' HD2' ' B' ' 33' ' ' PRO . . . -51.41 113.58 4.12 Favored Pre-proline 0 C--O 1.24 0.566 0 CA-C-N 115.876 -0.602 . . . . 75.13 110.511 175.882 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 33' ' ' PRO . . . . . 0.609 ' HG2' HD23 ' B' ' 36' ' ' LEU . 9.6 Cg_endo -51.95 136.91 52.78 Favored 'Trans proline' 0 C--N 1.352 0.743 0 C-N-CA 123.005 2.47 . . . . 71.3 112.025 -177.5 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.38 -12.83 61.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 71.43 110.565 -175.893 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . 0.439 ' HB3' HD22 ' B' ' 36' ' ' LEU . 23.3 tp10 -55.7 -35.44 66.08 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-O 121.342 0.591 . . . . 72.42 110.077 175.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.609 HD23 ' HG2' ' B' ' 33' ' ' PRO . 2.4 mm? -96.56 14.7 23.83 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 115.664 -0.698 . . . . 63.52 110.581 179.203 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 74.42 25.64 69.95 Favored Glycine 0 N--CA 1.453 -0.213 0 N-CA-C 111.703 -0.559 . . . . 51.22 111.703 -177.688 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -72.4 -127.73 0.09 OUTLIER Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 121.265 -0.493 . . . . 64.12 112.749 -178.294 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -103.11 -21.42 13.9 Favored 'General case' 0 C--N 1.328 -0.343 0 O-C-N 122.72 -0.283 . . . . 71.25 111.47 -176.121 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 53.97 46.64 68.64 Favored Glycine 0 C--N 1.331 0.262 0 CA-C-N 116.136 -0.484 . . . . 53.13 113.42 -176.669 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -101.55 171.28 7.66 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.685 0.279 . . . . 45.11 110.26 177.797 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -85.33 69.64 10.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.784 0.802 . . . . 74.14 110.233 -174.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -138.4 -158.47 7.76 Favored Glycine 0 C--N 1.317 -0.507 0 CA-C-N 114.162 -1.381 . . . . 72.12 111.689 177.421 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 44' ' ' THR . . . . . 0.734 ' H ' ' HA ' ' B' ' 30' ' ' LEU . 14.9 t -123.43 177.78 5.47 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.767 -0.457 . . . . 35.03 109.767 179.38 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 45' ' ' ASN . . . . . 0.644 HD21 HG21 ' A' ' 7' ' ' THR . 8.2 p-10 -103.34 132.66 20.89 Favored Pre-proline 0 CA--C 1.538 0.495 0 N-CA-C 110.135 -0.32 . . . . 71.14 110.135 -178.135 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 46' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -56.02 -50.02 13.62 Favored 'Trans proline' 0 C--N 1.353 0.795 0 C-N-CA 123.587 2.858 . . . . 54.41 114.428 -168.809 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 47' ' ' GLU . . . . . 0.424 ' CD ' HD22 ' B' ' 45' ' ' ASN . 0.0 OUTLIER -60.72 -30.7 70.13 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 121.298 -0.161 . . . . 73.03 110.648 -175.41 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . 0.618 ' HB2' HD21 ' B' ' 45' ' ' ASN . 0.7 OUTLIER -63.92 -48.85 74.96 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 121.031 0.444 . . . . 65.22 109.867 175.833 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 49' ' ' LEU . . . . . 0.405 HD12 ' HA3' ' A' ' 53' ' ' GLY . 3.3 tm? -58.33 -50.85 72.18 Favored 'General case' 0 C--O 1.238 0.468 0 CA-C-N 115.317 -0.856 . . . . 73.15 110.095 -178.359 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 25.8 t80 -62.84 -43.14 99.6 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.002 -0.545 . . . . 74.53 110.911 178.242 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.23 -53.03 61.14 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-O 120.876 0.369 . . . . 63.22 111.231 178.146 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 52' ' ' ALA . . . . . 0.609 ' HB1' ' HB1' ' A' ' 19' ' ' ALA . . . -59.95 -45.55 92.28 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 115.871 -0.604 . . . . 74.31 110.54 -179.317 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . 0.601 ' HA3' HD12 ' A' ' 49' ' ' LEU . . . -65.21 -36.45 92.86 Favored Glycine 0 N--CA 1.451 -0.366 0 CA-C-N 115.7 -0.682 . . . . 73.22 112.702 179.326 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 4.9 t80 -69.93 -45.08 68.27 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 122.41 0.284 . . . . 73.14 110.36 -177.398 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 55' ' ' SER . . . . . 0.41 ' HB3' ' HB2' ' B' ' 81' ' ' ALA . 15.1 p -64.5 -47.93 77.06 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.174 -0.466 . . . . 71.55 110.161 178.518 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 56' ' ' ALA . . . . . 0.519 ' HB1' HD21 ' A' ' 30' ' ' LEU . . . -61.64 -35.08 76.89 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-O 121.283 0.563 . . . . 72.32 110.641 176.385 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 57' ' ' CYS . . . . . . . . . . . . . 41.9 t -68.62 -36.44 78.64 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 109.467 -0.568 . . . . 72.4 109.467 176.825 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -70.21 -30.45 67.55 Favored 'General case' 0 N--CA 1.454 -0.275 0 CA-C-N 116.062 -0.517 . . . . 52.32 109.777 -178.729 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . 0.462 ' O ' ' HG3' ' B' ' 63' ' ' LYS . 92.8 mt -64.6 -41.52 96.17 Favored 'General case' 0 C--N 1.333 -0.11 0 CA-C-O 121.111 0.481 . . . . 64.41 109.775 173.54 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 60' ' ' SER . . . . . 0.447 ' HA ' ' HZ3' ' B' ' 63' ' ' LYS . 22.1 m -66.12 -44.59 83.83 Favored 'General case' 0 C--O 1.238 0.464 0 CA-C-N 115.867 -0.606 . . . . 73.23 110.401 177.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 61' ' ' ALA . . . . . 0.42 ' O ' HG23 ' B' ' 65' ' ' VAL . . . -63.16 -37.14 86.04 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.988 -0.551 . . . . 44.1 109.864 176.504 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 62' ' ' MET . . . . . . . . . . . . . 4.7 tpt -62.96 -38.32 90.6 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 115.51 -0.768 . . . . 71.0 109.842 177.838 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . 0.462 ' HG3' ' O ' ' B' ' 59' ' ' LEU . 29.6 mtmm -63.02 -48.56 78.26 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 116.007 -0.542 . . . . 72.03 109.92 175.739 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 34.9 t80 -55.63 -48.93 74.13 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 116.205 -0.452 . . . . 73.11 110.753 177.439 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 65' ' ' VAL . . . . . 0.42 HG23 ' O ' ' B' ' 61' ' ' ALA . 55.0 t -55.43 -47.16 78.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.989 -0.551 . . . . 75.05 110.685 179.14 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -56.98 -32.24 65.88 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.096 0.474 . . . . 74.13 110.543 177.754 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -69.54 -31.42 70.93 Favored Glycine 0 C--N 1.33 0.22 0 CA-C-N 115.411 -0.813 . . . . 75.04 112.43 -177.106 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -94.35 -19.74 20.38 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.452 0.644 . . . . 64.5 109.487 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 20.2 m-80 -91.81 -0.08 57.51 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 114.998 -1.001 . . . . 65.21 110.664 177.54 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 3.2 mptp? 56.23 23.9 7.59 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 115.671 -0.695 . . . . 73.12 111.401 174.288 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -110.88 160.58 16.65 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.521 -0.763 . . . . 74.24 109.785 179.071 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 8.5 p -118.45 132.87 56.23 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 116.064 -0.516 . . . . 74.12 110.202 -179.5 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 73' ' ' LEU . . . . . 0.435 ' HA ' ' HD3' ' B' ' 74' ' ' PRO . 0.3 OUTLIER -109.25 140.87 22.42 Favored Pre-proline 0 CA--C 1.534 0.333 0 CA-C-N 116.172 -0.467 . . . . 75.15 110.848 -177.575 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 74' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' B' ' 73' ' ' LEU . 31.2 Cg_exo -61.53 136.75 65.08 Favored 'Trans proline' 0 C--N 1.35 0.628 0 C-N-CA 122.974 2.449 . . . . 62.01 111.959 177.843 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -77.02 -15.94 59.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.921 0.391 . . . . 71.53 111.179 -179.025 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -80.73 6.66 12.22 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-O 121.364 0.602 . . . . 60.22 110.775 -178.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 77' ' ' THR . . . . . 0.408 HG22 ' O ' ' B' ' 74' ' ' PRO . 12.6 t -75.97 166.27 23.74 Favored 'General case' 0 C--O 1.238 0.453 0 CA-C-N 115.939 -0.573 . . . . 73.25 110.719 178.435 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 12.9 t -158.46 158.12 33.51 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-O 121.454 0.645 . . . . 71.23 111.778 179.694 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 79' ' ' VAL . . . . . 0.403 HG23 HD21 ' B' ' 59' ' ' LEU . 69.9 t -132.81 117.21 29.25 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-N 114.791 -1.095 . . . . 54.24 109.098 175.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 80' ' ' THR . . . . . 0.538 ' HA ' ' HA ' ' A' ' 10' ' ' THR . 12.9 m -98.06 108.46 21.18 Favored 'General case' 0 C--N 1.314 -0.948 0 CA-C-N 116.077 -0.51 . . . . 72.42 110.068 -178.662 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 81' ' ' ALA . . . . . 0.41 ' HB2' ' HB3' ' B' ' 55' ' ' SER . . . -93.08 104.61 16.8 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.525 -0.546 . . . . 73.43 109.525 178.609 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 82' ' ' GLU . . . . . 0.534 ' HB3' ' HB3' ' B' ' 98' ' ' GLU . 42.1 tt0 -107.71 107.89 18.87 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.271 -0.877 . . . . 71.23 109.281 -178.021 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 17.6 m -106.52 145.92 13.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 120.928 0.394 . . . . 71.44 110.904 -175.774 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 84' ' ' GLY . . . . . 0.421 ' HA2' ' HA ' ' A' ' 6' ' ' LYS . . . -135.87 159.61 24.31 Favored Glycine 0 N--CA 1.445 -0.763 0 CA-C-N 115.725 -0.671 . . . . 52.45 111.616 178.637 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 85' ' ' ILE . . . . . 0.493 HD11 ' CD2' ' B' ' 93' ' ' PHE . 0.0 OUTLIER -136.37 132.86 49.43 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 N-CA-C 109.231 -0.655 . . . . 73.1 109.231 -179.729 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 86' ' ' GLY . . . . . 0.406 ' HA2' ' HG ' ' A' ' 4' ' ' LEU . . . -145.84 169.94 27.18 Favored Glycine 0 N--CA 1.451 -0.354 0 CA-C-N 115.043 -0.98 . . . . 52.3 110.738 178.793 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 87' ' ' PRO . . . . . 0.662 ' HD3' ' HG ' ' A' ' 4' ' ' LEU . 95.0 Cg_endo -82.49 151.95 15.37 Favored 'Trans proline' 0 N--CA 1.458 -0.591 0 C-N-CA 122.479 2.119 . . . . 61.3 112.385 -177.155 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 88' ' ' ASN . . . . . . . . . . . . . 24.0 t-20 -107.29 151.8 24.98 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 108.927 -0.768 . . . . 72.3 108.927 174.814 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -58.2 -25.56 61.74 Favored 'General case' 0 C--N 1.33 -0.27 0 O-C-N 123.135 0.272 . . . . 65.22 111.177 -178.104 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -67.42 -26.67 66.54 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 121.178 0.513 . . . . 74.05 110.875 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.09 35.04 3.52 Favored Glycine 0 N--CA 1.453 -0.197 0 CA-C-N 115.934 -0.575 . . . . 72.2 111.722 -176.71 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . -133.85 -174.75 13.63 Favored Glycine 0 N--CA 1.45 -0.379 0 N-CA-C 110.866 -0.894 . . . . 70.13 110.866 178.166 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 93' ' ' PHE . . . . . 0.493 ' CD2' HD11 ' B' ' 85' ' ' ILE . 47.4 m-85 -98.01 149.8 22.07 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.98 0.419 . . . . 73.12 110.468 179.629 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -136.2 134.64 38.38 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.739 -0.664 . . . . 62.21 109.482 -179.37 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -102.02 137.14 40.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.148 0.499 . . . . 74.21 111.268 -174.732 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 96' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -120.69 110.42 16.38 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 114.948 -1.024 . . . . 73.53 108.825 178.212 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 97' ' ' VAL . . . . . 0.434 ' HB ' HG22 ' B' ' 134' ' ' VAL . 51.9 t -105.27 129.69 57.67 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.777 0 CA-C-O 120.863 0.363 . . . . 65.34 110.732 -176.035 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 98' ' ' GLU . . . . . 0.534 ' HB3' ' HB3' ' B' ' 82' ' ' GLU . 1.7 tp10 -119.76 104.74 10.49 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.772 -0.649 . . . . 74.42 109.41 179.62 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 83.4 mt -99.36 106.71 18.82 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 110.34 -0.244 . . . . 61.12 110.34 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 100' ' ' ARG . . . . . 0.568 ' HA ' ' O ' ' B' ' 137' ' ' VAL . 52.6 mtt180 -98.92 115.42 28.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.104 -0.498 . . . . 64.11 110.253 -177.459 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 101' ' ' VAL . . . . . 0.43 HG11 HG22 ' B' ' 115' ' ' VAL . 78.9 t -98.87 113.44 33.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.942 -0.572 . . . . 60.12 110.949 -176.686 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -110.91 101.67 10.23 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.991 -0.374 . . . . 53.32 109.991 176.344 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 103' ' ' LEU . . . . . 0.777 HD23 HD22 ' B' ' 106' ' ' LEU . 34.2 tp -113.53 116.12 46.27 Favored Pre-proline 0 C--N 1.331 -0.214 0 N-CA-C 109.127 -0.694 . . . . 72.24 109.127 178.371 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 104' ' ' PRO . . . . . 0.562 ' HD2' HD12 ' B' ' 103' ' ' LEU . 41.9 Cg_endo -68.9 147.03 67.51 Favored 'Trans proline' 0 N--CA 1.46 -0.449 0 C-N-CA 122.568 2.179 . . . . 74.24 112.195 -175.486 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 105' ' ' GLY . . . . . . . . . . . . . . . 74.42 15.05 80.48 Favored Glycine 0 N--CA 1.45 -0.404 0 CA-C-N 115.646 -0.706 . . . . 72.34 112.07 -177.674 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 106' ' ' LEU . . . . . 0.777 HD22 HD23 ' B' ' 103' ' ' LEU . 39.7 tp -129.72 143.91 51.04 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 122.708 0.403 . . . . 60.53 110.673 -177.436 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -82.55 164.85 20.59 Favored 'General case' 0 CA--C 1.513 -0.448 0 CA-C-N 116.223 -0.444 . . . . 63.12 110.505 177.606 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 108' ' ' ALA . . . . . 0.574 ' O ' ' HG2' ' B' ' 112' ' ' LYS . . . -68.63 -45.51 71.67 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.632 -0.713 . . . . 34.32 109.87 168.802 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -58.26 -47.68 82.81 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 115.713 -0.676 . . . . 64.51 110.812 -177.241 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -70.59 -42.91 70.41 Favored 'General case' 0 C--O 1.237 0.432 0 CA-C-N 116.057 -0.519 . . . . 72.03 109.948 177.419 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -55.12 -33.1 62.58 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 115.655 -0.702 . . . . 64.14 111.623 177.855 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 112' ' ' LYS . . . . . 0.574 ' HG2' ' O ' ' B' ' 108' ' ' ALA . 73.9 mmtt -51.04 -48.04 61.59 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 120.782 0.325 . . . . 74.45 110.74 178.265 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 113' ' ' THR . . . . . . . . . . . . . 1.6 t -82.08 -39.72 23.01 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 116.314 -0.403 . . . . 72.03 110.992 -177.437 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 45.6 mt -63.74 -48.47 76.89 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.443 -0.344 . . . . 70.23 110.79 -177.256 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 115' ' ' VAL . . . . . 0.525 HG13 ' CD2' ' B' ' 119' ' ' HIS . 54.6 t -61.38 -40.65 86.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.181 -0.463 . . . . 63.55 110.328 177.516 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 116' ' ' ASP . . . . . 0.555 ' O ' ' HB2' ' B' ' 120' ' ' HIS . 10.8 t70 -55.47 -61.24 2.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.526 -0.761 . . . . 75.43 110.136 -179.309 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 117' ' ' ARG . . . . . . . . . . . . . 9.6 ptm85 -66.32 -41.95 88.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.724 -0.671 . . . . 70.2 111.445 -176.273 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -73.02 -21.18 60.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.176 -0.465 . . . . 61.11 112.012 -175.423 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 119' ' ' HIS . . . . . 0.525 ' CD2' HG13 ' B' ' 115' ' ' VAL . 3.7 m-70 -116.46 13.84 15.5 Favored 'General case' 0 N--CA 1.463 0.206 0 O-C-N 122.009 -0.432 . . . . 74.31 111.456 178.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 120' ' ' HIS . . . . . 0.555 ' HB2' ' O ' ' B' ' 116' ' ' ASP . 0.8 OUTLIER -83.75 -18.08 39.02 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 120.886 0.374 . . . . 61.52 110.205 -179.938 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 30.1 m -113.0 45.68 0.29 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.38 0 CA-C-N 115.74 -0.663 . . . . 63.42 111.283 -175.351 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 122' ' ' CYS . . . . . 0.6 ' SG ' ' NE ' ' B' ' 129' ' ' ARG . 25.6 p -68.9 128.54 92.78 Favored Pre-proline 0 CA--C 1.536 0.409 0 CA-C-N 116.273 -0.421 . . . . 74.53 111.152 -177.839 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 123' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -71.11 -29.45 17.62 Favored 'Trans proline' 0 C--N 1.352 0.739 0 C-N-CA 122.527 2.152 . . . . 65.25 112.146 178.548 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 124' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 . . . . . 0 N--CA 1.463 0.206 0 CA-C-N 116.303 -0.408 . . . . 65.35 110.291 178.103 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 128' ' ' THR . . . . . 0.428 ' O ' ' HB ' ' B' ' 132' ' ' VAL . 3.3 t . . . . . 0 CA--C 1.514 -0.421 0 N-CA-C 108.275 -1.009 . . . . 55.14 108.275 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 129' ' ' ARG . . . . . 0.6 ' NE ' ' SG ' ' B' ' 122' ' ' CYS . 10.2 ptp180 -126.69 -35.36 2.33 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 114.421 -1.263 . . . . 75.21 110.413 -176.809 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 130' ' ' ASN . . . . . . . . . . . . . 54.7 m-80 -78.43 -51.87 9.4 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.877 -0.601 . . . . 74.14 111.009 173.4 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 131' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -77.36 -43.74 31.81 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 121.227 0.537 . . . . 75.43 109.98 -178.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 132' ' ' VAL . . . . . 0.428 ' HB ' ' O ' ' B' ' 128' ' ' THR . 17.4 t -99.82 145.32 10.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.379 -0.828 . . . . 52.13 109.475 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 133' ' ' ALA . . . . . . . . . . . . . . . -76.07 101.28 5.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.274 0.559 . . . . 72.23 112.247 -174.015 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 134' ' ' VAL . . . . . 0.434 HG22 ' HB ' ' B' ' 97' ' ' VAL . 96.1 t -120.19 140.44 44.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.496 -0.774 . . . . 61.1 110.019 172.465 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 82.9 mtt-85 -115.64 110.26 18.93 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.724 -0.671 . . . . 74.32 109.488 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 21.1 mt -82.59 100.7 10.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.54 0.686 . . . . 72.41 109.846 176.486 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 137' ' ' VAL . . . . . 0.568 ' O ' ' HA ' ' B' ' 100' ' ' ARG . 0.2 OUTLIER -112.4 116.11 51.69 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 114.819 -1.082 . . . . 72.22 109.819 -176.242 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 138' ' ' VAL . . . . . 0.41 HG12 HG21 ' B' ' 115' ' ' VAL . 2.8 m -90.67 138.44 19.52 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 CA-C-N 115.679 -0.691 . . . . 70.52 109.959 -178.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 139' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.226 0 CA-C-O 118.505 -0.759 . . . . 71.35 110.695 -176.314 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.5 ptt? . . . . . 0 N--CA 1.485 1.284 0 CA-C-O 120.732 0.301 . . . . 71.43 110.858 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 33.3 t30 -73.46 74.63 1.42 Allowed 'General case' 0 CA--C 1.533 0.312 0 CA-C-O 121.244 0.545 . . . . 75.52 110.936 177.366 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.527 HG21 ' HB2' ' A' ' 6' ' ' LYS . 30.5 mm -72.48 125.0 30.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.957 -0.565 . . . . 51.02 111.511 174.615 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.739 ' HG ' ' HD3' ' B' ' 87' ' ' PRO . 89.4 mt -82.21 -45.07 15.56 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.347 -0.842 . . . . 74.21 110.134 176.309 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 39.3 t80 -137.34 127.11 25.49 Favored 'General case' 0 C--O 1.222 -0.364 0 CA-C-N 116.02 -0.536 . . . . 54.43 110.437 -178.084 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.527 ' HB2' HG21 ' A' ' 3' ' ' ILE . 31.9 ttmt -136.71 128.38 28.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.906 0.384 . . . . 62.42 110.121 175.16 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 15.2 t -133.3 154.15 50.95 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.808 -0.633 . . . . 73.02 109.662 -178.749 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.423 ' HA ' ' HA ' ' B' ' 82' ' ' GLU . . . -114.28 140.5 48.55 Favored 'General case' 0 C--O 1.237 0.431 0 CA-C-O 121.318 0.58 . . . . 64.34 112.542 -171.126 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -124.99 135.32 52.68 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.156 -0.929 . . . . 65.14 109.148 173.089 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.403 HG22 ' HB2' ' A' ' 22' ' ' HIS . 14.5 t -123.26 128.98 50.74 Favored 'General case' 0 N--CA 1.445 -0.687 0 N-CA-C 108.648 -0.871 . . . . 73.43 108.648 -178.436 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 71.0 m -125.34 114.61 19.12 Favored 'General case' 0 C--N 1.314 -0.943 0 CA-C-N 115.623 -0.717 . . . . 71.32 110.757 -175.189 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.1 m -101.37 157.79 16.54 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 115.586 -0.733 . . . . 72.12 110.831 -176.749 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -81.19 69.57 3.24 Favored Glycine 0 N--CA 1.451 -0.345 0 N-CA-C 111.247 -0.741 . . . . 62.44 111.247 174.691 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -57.71 -98.9 0.01 OUTLIER Glycine 0 C--N 1.336 0.57 0 C-N-CA 121.722 -0.275 . . . . 62.02 113.171 -176.473 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 17.0 mtp180 -88.71 -53.4 4.64 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.052 -0.722 . . . . 73.04 109.052 174.493 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -125.78 -42.48 1.91 Allowed 'General case' 0 C--O 1.235 0.292 0 N-CA-C 109.208 -0.664 . . . . 74.22 109.208 168.237 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.499 ' O ' ' HG3' ' A' ' 29' ' ' LYS . . . -156.56 151.98 23.38 Favored Glycine 0 C--N 1.336 0.568 0 N-CA-C 110.792 -0.923 . . . . 73.12 110.792 167.016 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.518 ' HA ' ' HA ' ' A' ' 29' ' ' LYS . 3.5 tmt_? -142.91 113.44 7.39 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 117.268 0.534 . . . . 73.24 109.668 -178.784 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -110.12 123.98 50.7 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.188 -0.46 . . . . 71.12 110.653 -175.157 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.503 HG23 ' O ' ' A' ' 26' ' ' LEU . 88.6 m -136.39 121.26 18.67 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.188 -0.46 . . . . 63.53 110.937 -175.662 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.675 ' HB3' ' N ' ' A' ' 26' ' ' LEU . 2.9 t -68.75 106.84 2.8 Favored 'General case' 0 C--O 1.248 1.008 0 N-CA-C 106.183 -1.784 . . . . 62.3 106.183 170.547 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.419 ' C ' ' H ' ' A' ' 24' ' ' GLN . 75.5 t60 -66.31 -14.63 62.32 Favored 'General case' 0 C--N 1.346 0.441 0 O-C-N 125.713 1.883 . . . . 71.44 110.505 -170.788 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.508 ' HB3' ' HE2' ' A' ' 25' ' ' LYS . 36.6 t0 -80.46 14.28 2.09 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.212 -0.904 . . . . 73.43 108.851 175.29 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.419 ' H ' ' C ' ' A' ' 22' ' ' HIS . 31.2 mm-40 69.69 30.08 3.99 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-N 114.518 -1.219 . . . . 72.53 111.213 173.006 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.508 ' HE2' ' HB3' ' A' ' 23' ' ' ASP . 51.0 mtmt -111.46 -9.58 14.21 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.939 -0.573 . . . . 73.44 111.986 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.675 ' N ' ' HB3' ' A' ' 21' ' ' SER . 41.0 tp -152.51 145.77 24.71 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 119.726 -0.79 . . . . 74.42 110.681 174.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -158.67 95.66 1.33 Allowed 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 121.012 0.434 . . . . 74.13 110.349 175.611 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 4.4 m -139.91 177.85 4.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 121.535 0.683 . . . . 62.12 111.359 178.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.518 ' HA ' ' HA ' ' A' ' 18' ' ' ARG . 16.7 ttpp -137.01 139.14 41.2 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.068 -0.969 . . . . 62.42 110.277 -177.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.613 ' HA ' ' H ' ' A' ' 44' ' ' THR . 0.0 OUTLIER -127.25 170.99 11.85 Favored 'General case' 0 C--O 1.249 1.036 0 CA-C-N 116.038 -0.528 . . . . 64.12 110.189 179.317 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 12.6 p -159.34 147.57 17.7 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.799 -0.637 . . . . 75.34 111.285 -178.189 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.422 ' HA ' ' HD2' ' A' ' 33' ' ' PRO . . . -66.77 113.14 11.75 Favored Pre-proline 0 C--O 1.238 0.472 0 CA-C-N 115.772 -0.649 . . . . 52.21 110.066 175.489 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.537 ' HG3' ' ND2' ' A' ' 45' ' ' ASN . 15.5 Cg_endo -55.32 113.39 1.39 Allowed 'Trans proline' 0 C--N 1.348 0.542 0 C-N-CA 122.614 2.209 . . . . 73.33 111.497 -177.031 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.687 ' HD2' ' HA2' ' A' ' 40' ' ' GLY . 50.5 ttt180 -66.88 -6.84 18.03 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 116.308 -0.405 . . . . 50.12 111.453 -176.487 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -50.93 -21.85 1.95 Allowed 'General case' 0 N--CA 1.465 0.281 0 C-N-CA 123.483 0.713 . . . . 75.14 112.716 179.309 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 60.3 mt -117.78 35.3 4.76 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.898 0.38 . . . . 63.44 110.12 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 66.51 43.91 91.29 Favored Glycine 0 C--N 1.333 0.395 0 N-CA-C 110.955 -0.858 . . . . 72.22 110.955 -175.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.481 ' H ' ' HA ' ' A' ' 34' ' ' ARG . . . -81.24 -110.55 0.34 Allowed Glycine 0 C--N 1.33 0.225 0 CA-C-N 115.115 -0.543 . . . . 73.44 113.068 -171.86 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -123.9 -57.54 1.61 Allowed 'General case' 0 C--O 1.234 0.247 0 CA-C-N 116.905 0.353 . . . . 63.22 111.289 -174.515 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.687 ' HA2' ' HD2' ' A' ' 34' ' ' ARG . . . -173.94 -80.07 0.05 OUTLIER Glycine 0 N--CA 1.447 -0.57 0 C-N-CA 119.411 -1.376 . . . . 45.53 114.29 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -72.64 -178.4 2.63 Favored 'General case' 0 C--O 1.235 0.33 0 N-CA-C 112.967 0.729 . . . . 44.21 112.967 -169.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -95.59 -53.51 3.7 Favored 'General case' 0 CA--C 1.498 -1.03 0 CA-C-O 123.021 1.391 . . . . 71.23 109.973 179.001 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.414 ' O ' ' HD2' ' B' ' 25' ' ' LYS . . . 40.56 -127.11 2.98 Favored Glycine 0 C--N 1.291 -1.955 0 CA-C-N 110.854 -2.885 . . . . 55.55 111.972 -177.387 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.613 ' H ' ' HA ' ' A' ' 30' ' ' LEU . 32.8 p -129.01 156.82 43.2 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 108.707 -0.849 . . . . 74.01 108.707 170.294 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.537 ' ND2' ' HG3' ' A' ' 33' ' ' PRO . 1.1 m-20 -92.12 129.21 42.35 Favored Pre-proline 0 C--N 1.323 -0.572 0 N-CA-C 109.196 -0.668 . . . . 72.33 109.196 -179.363 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_endo -53.1 -35.62 73.4 Favored 'Trans proline' 0 CA--C 1.534 0.492 0 C-N-CA 122.578 2.185 . . . . 63.04 112.111 178.508 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.48 ' HG2' HD11 ' A' ' 95' ' ' LEU . 23.5 mp0 -71.51 -37.45 71.21 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-O 121.792 0.805 . . . . 62.13 109.092 179.611 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.514 ' HB3' ' HB2' ' A' ' 45' ' ' ASN . 29.9 tt0 -66.89 -39.8 87.56 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 114.34 -1.3 . . . . 72.35 110.572 178.595 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.483 HD12 ' HA3' ' B' ' 53' ' ' GLY . 3.3 tm? -66.98 -47.49 71.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.695 -0.684 . . . . 71.11 109.397 179.083 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 46.3 t80 -59.44 -43.03 93.21 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.774 -0.648 . . . . 64.45 110.571 176.712 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.56 ' HB2' HG11 ' A' ' 83' ' ' VAL . . . -57.43 -53.31 59.54 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 116.174 -0.466 . . . . 52.03 111.434 177.151 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.457 ' HB1' ' HB1' ' B' ' 19' ' ' ALA . . . -59.7 -44.77 93.53 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 115.903 -0.589 . . . . 51.43 110.318 -179.615 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.493 ' O ' ' SG ' ' A' ' 57' ' ' CYS . . . -60.33 -52.12 54.58 Favored Glycine 0 C--O 1.223 -0.566 0 CA-C-N 115.533 -0.758 . . . . 45.35 112.114 178.853 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -57.11 -51.28 69.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.86 0.362 . . . . 71.4 110.449 -178.103 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.557 ' HB3' ' HB2' ' A' ' 81' ' ' ALA . 51.9 p -60.48 -52.15 66.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.457 . . . . 50.31 110.826 -177.227 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.53 ' HB1' HD21 ' B' ' 30' ' ' LEU . . . -61.47 -41.22 96.91 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-O 121.002 0.429 . . . . 72.41 110.997 179.848 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.565 ' SG ' ' HB3' ' B' ' 46' ' ' PRO . 96.2 m -63.34 -35.99 82.21 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.933 -0.576 . . . . 74.4 110.643 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 38.5 t80 -55.01 -31.82 61.34 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 116.305 -0.407 . . . . 64.12 110.345 -177.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 9.1 mp -64.21 -51.63 62.79 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.157 -0.474 . . . . 74.12 109.931 176.082 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 10.8 m -60.41 -37.72 81.73 Favored 'General case' 0 C--O 1.238 0.474 0 CA-C-O 121.214 0.53 . . . . 74.4 110.53 178.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -61.26 -49.28 77.69 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 116.0 -0.545 . . . . 64.15 109.931 177.46 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 18.3 mtp -69.97 -20.43 63.31 Favored 'General case' 0 C--O 1.227 -0.128 0 CA-C-N 115.81 -0.632 . . . . 61.32 110.912 177.314 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 25.5 tptp -67.39 -44.84 77.89 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.159 -0.682 . . . . 62.32 109.159 174.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 33.5 t80 -63.89 -45.43 89.41 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 115.854 -0.612 . . . . 70.35 110.226 175.269 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 71.1 t -57.55 -51.37 70.79 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.17 0 CA-C-N 116.16 -0.473 . . . . 51.41 110.661 178.092 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -60.84 -29.3 69.42 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.852 -0.613 . . . . 55.45 110.172 179.236 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -71.52 -30.67 66.34 Favored Glycine 0 N--CA 1.45 -0.429 0 CA-C-N 115.547 -0.752 . . . . 65.01 112.2 -178.68 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -92.93 -22.47 19.2 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-O 121.245 0.545 . . . . 73.33 109.548 -178.821 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.419 ' HB3' ' HG2' ' A' ' 71' ' ' GLN . 16.6 m-80 -86.88 -1.85 58.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.04 -0.982 . . . . 73.35 110.701 176.849 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 9.6 mptt 60.93 26.47 16.39 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 115.919 -0.582 . . . . 70.5 111.18 177.091 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.419 ' HG2' ' HB3' ' A' ' 69' ' ' ASN . 1.9 pt20 -113.44 168.09 10.04 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.086 0.469 . . . . 65.11 110.834 -178.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 33.1 p -120.94 145.65 47.48 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.661 -0.7 . . . . 71.13 109.955 178.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.412 ' HA ' ' HD3' ' A' ' 74' ' ' PRO . 96.5 mt -109.28 145.78 32.55 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.47 -0.332 . . . . 63.13 110.526 -179.587 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.479 ' HG2' HD11 ' A' ' 103' ' ' LEU . 37.9 Cg_exo -63.07 113.79 2.18 Favored 'Trans proline' 0 C--N 1.348 0.504 0 C-N-CA 122.708 2.272 . . . . 75.32 111.659 174.802 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -74.77 2.02 11.08 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.879 0.371 . . . . 74.43 111.832 -177.486 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.505 ' HB3' ' HG3' ' A' ' 104' ' ' PRO . 38.8 t70 -93.09 5.27 52.09 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.339 0.59 . . . . 72.44 110.752 -178.657 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.595 ' HB ' HD22 ' A' ' 103' ' ' LEU . 5.5 t -77.29 163.35 26.56 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-N 115.824 -0.625 . . . . 73.42 111.339 -179.351 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 9.2 m -148.24 149.03 31.18 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.008 -0.738 . . . . 65.01 109.008 177.555 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 93.1 t -127.05 129.85 71.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 N-CA-C 109.709 -0.478 . . . . 73.54 109.709 176.258 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.404 ' HB ' ' HB3' ' A' ' 100' ' ' ARG . 6.7 m -108.54 111.79 23.83 Favored 'General case' 0 C--N 1.318 -0.779 0 C-N-CA 120.863 -0.335 . . . . 61.0 110.434 176.439 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.557 ' HB2' ' HB3' ' A' ' 55' ' ' SER . . . -93.22 104.31 16.5 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.552 -0.536 . . . . 75.0 109.552 176.744 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.491 ' HG2' ' HD3' ' B' ' 6' ' ' LYS . 36.5 tt0 -109.0 107.58 17.99 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.347 -0.612 . . . . 74.0 109.347 -178.447 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.56 HG11 ' HB2' ' A' ' 51' ' ' ALA . 31.1 m -108.68 144.64 16.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-O 120.929 0.395 . . . . 74.25 111.111 -174.093 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.42 ' HA2' ' HA ' ' B' ' 6' ' ' LYS . . . -137.77 163.67 25.53 Favored Glycine 0 N--CA 1.442 -0.929 0 CA-C-N 115.647 -0.706 . . . . 64.22 111.853 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -135.31 130.15 50.67 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.847 0 N-CA-C 108.869 -0.789 . . . . 71.32 108.869 178.217 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -150.41 169.78 30.34 Favored Glycine 0 N--CA 1.451 -0.307 0 CA-C-N 115.161 -0.927 . . . . 64.2 111.12 178.127 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.443 ' HD3' ' HG ' ' B' ' 4' ' ' LEU . 57.3 Cg_endo -71.47 134.72 25.01 Favored 'Trans proline' 0 C--O 1.235 0.371 0 C-N-CA 122.334 2.022 . . . . 75.13 112.116 -179.343 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . 0.493 ' HB2' ' HB2' ' A' ' 94' ' ' ALA . 5.4 t-20 -91.92 150.21 21.15 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.574 -0.739 . . . . 63.43 110.456 -177.676 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -57.58 -27.04 62.34 Favored 'General case' 0 CA--C 1.533 0.304 0 O-C-N 123.562 0.539 . . . . 74.31 111.567 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -69.53 -21.87 63.61 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 116.075 -0.511 . . . . 62.35 111.395 -179.553 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.27 35.32 3.41 Favored Glycine 0 CA--C 1.517 0.203 0 CA-C-N 116.276 -0.42 . . . . 52.42 112.238 -179.485 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -141.65 -152.2 5.68 Favored Glycine 0 C--O 1.23 -0.121 0 N-CA-C 110.931 -0.868 . . . . 74.12 110.931 176.603 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 54.0 m-85 -103.84 155.57 18.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 117.115 0.457 . . . . 72.25 109.915 176.399 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.493 ' HB2' ' HB2' ' A' ' 88' ' ' ASN . . . -141.17 130.1 23.14 Favored 'General case' 0 C--O 1.239 0.513 0 CA-C-N 116.294 -0.412 . . . . 73.43 110.146 179.742 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.48 HD11 ' HG2' ' A' ' 47' ' ' GLU . 4.3 mm? -98.05 123.47 42.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.601 -0.727 . . . . 75.45 109.941 178.284 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -110.0 110.48 21.41 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.449 -0.796 . . . . 62.1 109.46 -179.456 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.507 HG22 HG12 ' A' ' 83' ' ' VAL . 60.6 t -106.8 110.48 31.85 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.807 0 CA-C-N 115.893 -0.594 . . . . 41.42 110.741 -176.052 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.472 ' HG2' ' HB3' ' A' ' 135' ' ' ARG . 43.6 mt-10 -98.78 110.03 22.7 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.891 0.377 . . . . 51.52 110.234 179.081 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 87.2 mt -95.59 108.41 20.67 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.074 -0.512 . . . . 73.33 110.109 179.118 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.553 ' HA ' ' O ' ' A' ' 137' ' ' VAL . 61.8 ttp180 -99.11 110.4 22.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.013 -0.54 . . . . 73.43 109.808 -179.407 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 46.9 t -103.38 98.59 7.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.482 -0.326 . . . . 72.23 110.369 -174.168 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -91.89 101.49 14.06 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.92 0.391 . . . . 73.1 110.169 -179.446 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.595 HD22 ' HB ' ' A' ' 77' ' ' THR . 0.3 OUTLIER -108.81 117.69 53.4 Favored Pre-proline 0 C--N 1.326 -0.442 0 N-CA-C 109.237 -0.653 . . . . 73.31 109.237 -177.743 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . 0.514 ' HD3' ' HA ' ' A' ' 77' ' ' THR . 61.1 Cg_endo -70.43 150.53 64.26 Favored 'Trans proline' 0 C--O 1.234 0.303 0 C-N-CA 122.85 2.367 . . . . 73.52 112.961 -177.857 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 64.31 15.43 58.93 Favored Glycine 0 CA--C 1.52 0.344 0 CA-C-N 115.536 -0.756 . . . . 54.45 113.282 178.109 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.589 HD23 ' HB3' ' A' ' 103' ' ' LEU . 27.0 tp -120.44 139.94 52.11 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.089 0.471 . . . . 65.03 110.854 -176.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -78.08 141.54 38.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.719 -0.673 . . . . 72.42 110.181 175.528 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -59.78 -40.65 88.98 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.395 -0.366 . . . . 74.35 110.953 178.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -57.0 -43.15 81.49 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 115.881 -0.6 . . . . 64.13 110.988 -179.332 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 0.514 ' O ' HG22 ' A' ' 113' ' ' THR . . . -77.81 -38.14 47.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.043 -0.526 . . . . 73.25 110.237 178.697 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -55.89 -34.6 65.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.703 -0.68 . . . . 54.13 110.62 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . 0.446 ' O ' ' HB2' ' A' ' 116' ' ' ASP . 30.0 mmtp -54.11 -48.47 70.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.871 -0.604 . . . . 74.23 111.01 175.396 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . 0.514 HG22 ' O ' ' A' ' 110' ' ' ALA . 1.2 t -74.89 -35.3 62.27 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.727 -0.215 . . . . 74.22 110.74 -177.011 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 57.8 mt -66.89 -49.5 65.4 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.899 0.381 . . . . 61.01 110.506 -178.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 73.0 t -64.57 -36.17 76.66 Favored 'Isoleucine or valine' 0 C--O 1.238 0.499 0 CA-C-N 116.056 -0.52 . . . . 72.22 110.213 178.454 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . 0.446 ' HB2' ' O ' ' A' ' 112' ' ' LYS . 8.9 t70 -59.18 -61.39 2.67 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 115.65 -0.705 . . . . 63.5 110.008 179.493 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . 0.479 ' HG2' ' O ' ' A' ' 113' ' ' THR . 14.6 ptm180 -61.59 -36.3 80.29 Favored 'General case' 0 CA--C 1.523 -0.062 0 CA-C-N 116.102 -0.499 . . . . 65.24 110.359 -177.747 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -57.96 -44.82 87.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.839 -0.619 . . . . 63.41 110.841 177.805 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 59.8 m80 -80.37 -0.13 35.6 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 116.492 -0.322 . . . . 74.13 111.654 -179.631 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 10.6 m170 -97.49 -44.53 6.8 Favored 'General case' 0 N--CA 1.464 0.256 0 N-CA-C 109.923 -0.399 . . . . 75.14 109.923 173.269 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 28.9 m -79.44 -30.49 13.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.051 -0.522 . . . . 74.54 111.077 -177.373 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 71.4 m -140.69 70.35 30.84 Favored Pre-proline 0 CA--C 1.533 0.319 0 N-CA-C 112.235 0.457 . . . . 72.12 112.235 -178.789 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_endo -89.79 147.61 4.87 Favored 'Trans proline' 0 N--CA 1.453 -0.877 0 C-N-CA 122.46 2.107 . . . . 74.45 109.675 164.706 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' TYR . . . . . 0.444 ' OH ' ' HA ' ' B' ' 47' ' ' GLU . 0.7 OUTLIER -59.04 -30.9 68.37 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-O 121.7 0.762 . . . . 65.44 109.375 -178.829 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . 0.572 ' O ' HG22 ' A' ' 128' ' ' THR . 50.2 m -158.31 140.76 14.36 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 107.291 -1.374 . . . . 62.44 107.291 170.842 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 42.3 m-80 -58.62 -31.91 68.52 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 118.585 0.629 . . . . 73.42 110.433 -179.078 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . 0.635 ' O ' ' HB3' ' A' ' 131' ' ' ASN . . . -84.21 6.68 21.73 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.068 -0.515 . . . . 54.1 111.958 -179.317 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 128' ' ' THR . . . . . 0.572 HG22 ' O ' ' A' ' 125' ' ' SER . 1.7 t -93.82 -5.39 48.25 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.223 -0.658 . . . . 73.21 109.223 -172.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 3.1 ptm180 -117.94 -45.47 2.67 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.298 -0.865 . . . . 72.04 111.207 -176.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -78.46 -55.48 5.18 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-O 120.904 0.383 . . . . 71.52 110.608 175.663 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 131' ' ' ASN . . . . . 0.635 ' HB3' ' O ' ' A' ' 127' ' ' ALA . 2.7 t-20 -67.41 -43.87 80.17 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 115.803 -0.635 . . . . 72.12 110.168 -177.165 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 35.1 t -96.28 135.45 30.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.795 -0.639 . . . . 70.22 109.464 178.719 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . 0.409 ' HB3' ' O ' ' A' ' 95' ' ' LEU . . . -73.6 101.31 3.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.307 0.575 . . . . 45.42 111.836 -173.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . 0.423 HG22 ' HB ' ' A' ' 97' ' ' VAL . 50.1 t -124.05 125.0 70.13 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.348 0 CA-C-N 115.416 -0.811 . . . . 75.02 110.22 175.881 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . 0.472 ' HB3' ' HG2' ' A' ' 98' ' ' GLU . 21.4 ttt180 -100.78 119.68 38.99 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.448 -0.797 . . . . 72.41 109.718 179.576 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 41.0 mt -91.23 119.69 31.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.156 0.503 . . . . 50.04 111.265 -178.692 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . 0.553 ' O ' ' HA ' ' A' ' 100' ' ' ARG . 0.2 OUTLIER -126.65 115.1 40.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 115.526 -0.761 . . . . 74.42 109.878 178.585 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 2.9 m -91.92 138.9 18.81 Favored 'Isoleucine or valine' 0 C--O 1.238 0.486 0 CA-C-O 121.091 0.472 . . . . 53.11 110.05 -179.253 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.319 -0.737 0 CA-C-N 115.69 -0.686 . . . . 73.13 110.759 -176.915 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . 0.548 ' HE3' HD13 ' B' ' 3' ' ' ILE . 18.7 ptt? . . . . . 0 C--O 1.234 0.26 0 CA-C-O 120.669 0.271 . . . . 72.42 111.059 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 43.5 t30 -77.55 74.17 4.12 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-O 121.57 0.7 . . . . 61.35 110.698 179.022 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . 0.577 HG21 ' HB2' ' B' ' 6' ' ' LYS . 30.1 mm -64.42 128.33 26.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.312 -0.858 . . . . 72.42 111.009 175.291 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.443 ' HG ' ' HD3' ' A' ' 87' ' ' PRO . 94.1 mt -81.31 -43.48 19.06 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.82 -0.627 . . . . 75.25 110.253 177.706 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 5' ' ' TYR . . . . . . . . . . . . . 22.8 t80 -140.66 129.81 23.54 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 116.268 -0.424 . . . . 75.45 110.615 -179.681 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . 0.577 ' HB2' HG21 ' B' ' 3' ' ' ILE . 31.0 ttmt -138.04 135.94 36.36 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.89 0.376 . . . . 65.01 110.946 177.638 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . 0.487 HG21 ' HB2' ' A' ' 48' ' ' GLN . 9.8 t -127.86 145.67 50.87 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-N 115.885 -0.598 . . . . 72.52 109.901 178.256 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . 0.446 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . . . -110.48 134.76 52.05 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 116.35 -0.386 . . . . 64.22 110.596 -179.637 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -125.84 128.7 48.05 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.982 -0.377 . . . . 31.45 109.982 177.013 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 5.7 t -100.98 125.81 47.61 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.175 0.512 . . . . 64.31 110.135 -178.294 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 15.3 p -116.74 113.32 22.42 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.747 -0.66 . . . . 74.14 109.778 177.235 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 3.1 m -102.52 161.58 13.61 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.797 -0.638 . . . . 53.42 111.192 -175.457 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -76.06 75.48 1.52 Allowed Glycine 0 N--CA 1.449 -0.494 0 N-CA-C 111.641 -0.584 . . . . 71.12 111.641 172.711 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -69.89 -128.6 0.06 OUTLIER Glycine 0 CA--C 1.523 0.547 0 C-N-CA 121.576 -0.345 . . . . 73.4 112.507 175.247 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 2.2 tpm_? -64.0 -55.03 25.31 Favored 'General case' 0 N--CA 1.465 0.291 0 N-CA-C 109.726 -0.472 . . . . 65.14 109.726 176.58 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 16' ' ' ASP . . . . . 0.538 ' HB3' ' HA ' ' B' ' 31' ' ' SER . 37.4 t70 -126.5 -42.32 1.82 Allowed 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 108.822 -0.807 . . . . 65.33 108.822 170.109 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -155.45 152.96 24.41 Favored Glycine 0 N--CA 1.448 -0.549 0 CA-C-N 115.496 -0.775 . . . . 74.22 111.636 169.818 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 18' ' ' ARG . . . . . 0.439 ' HD3' ' O ' ' B' ' 28' ' ' VAL . 3.6 tpp180 -122.57 145.64 48.16 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 108.757 -0.831 . . . . 74.4 108.757 176.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 19' ' ' ALA . . . . . 0.457 ' HB1' ' HB1' ' A' ' 52' ' ' ALA . . . -134.15 123.34 24.22 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.46 -0.57 . . . . 64.21 109.46 172.416 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 38.1 m -140.61 112.15 7.41 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.928 -0.578 . . . . 75.11 110.149 -177.487 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 21' ' ' SER . . . . . 0.497 ' CB ' ' HB3' ' B' ' 26' ' ' LEU . 20.7 t -74.74 115.45 14.34 Favored 'General case' 0 C--O 1.249 1.027 0 N-CA-C 107.531 -1.285 . . . . 74.21 107.531 176.71 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 22' ' ' HIS . . . . . . . . . . . . . 74.0 t60 -68.19 -12.95 61.82 Favored 'General case' 0 C--N 1.343 0.305 0 O-C-N 125.929 2.018 . . . . 73.12 112.182 -164.548 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . 0.468 ' OD1' ' HE2' ' B' ' 25' ' ' LYS . 23.4 p30 -80.51 11.8 3.48 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 121.683 0.754 . . . . 63.54 109.325 172.758 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 32.2 mm-40 72.0 22.54 3.73 Favored 'General case' 0 CA--C 1.51 -0.558 0 CA-C-N 113.941 -1.481 . . . . 71.43 111.25 170.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . 0.468 ' HE2' ' OD1' ' B' ' 23' ' ' ASP . 48.7 mtmt -99.23 -13.63 19.63 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-N 115.81 -0.632 . . . . 41.25 111.625 177.79 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . 0.497 ' HB3' ' CB ' ' B' ' 21' ' ' SER . 62.6 tp -140.66 138.02 34.01 Favored 'General case' 0 C--N 1.347 0.476 0 C-N-CA 119.237 -0.985 . . . . 71.52 110.899 176.221 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -158.49 94.08 1.24 Allowed 'General case' 0 N--CA 1.463 0.202 0 O-C-N 123.508 0.505 . . . . 53.33 110.484 175.583 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 28' ' ' VAL . . . . . 0.439 ' O ' ' HD3' ' B' ' 18' ' ' ARG . 4.0 m -146.71 177.89 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.728 -0.669 . . . . 74.12 110.483 178.118 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.467 ' HE2' ' HB3' ' B' ' 29' ' ' LYS . 0.6 OUTLIER -131.74 144.19 50.79 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.868 -0.606 . . . . 64.31 110.193 -177.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . 0.62 ' HA ' ' H ' ' B' ' 44' ' ' THR . 0.0 OUTLIER -125.06 167.04 15.31 Favored 'General case' 0 C--O 1.249 1.027 0 CA-C-N 116.329 -0.396 . . . . 72.32 110.227 178.463 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 31' ' ' SER . . . . . 0.538 ' HA ' ' HB3' ' B' ' 16' ' ' ASP . 50.6 m -160.58 133.58 6.54 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 115.892 -0.595 . . . . 62.35 111.431 -173.351 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -73.63 116.52 52.47 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 115.784 -0.644 . . . . 75.13 109.454 172.269 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 33' ' ' PRO . . . . . 0.642 ' HB2' ' HG2' ' B' ' 35' ' ' GLU . 25.3 Cg_endo -61.46 153.95 62.64 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.251 1.967 . . . . 71.3 112.042 -177.695 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 4.8 mmt180 -70.56 -11.16 60.75 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.075 -0.511 . . . . 71.43 110.616 -179.653 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . 0.642 ' HG2' ' HB2' ' B' ' 33' ' ' PRO . 6.2 mm-40 -48.83 -46.01 41.43 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 121.541 0.686 . . . . 72.42 110.647 177.513 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 27.0 mt -103.94 17.61 23.75 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.213 -0.903 . . . . 63.52 110.728 -175.089 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 80.87 37.99 17.47 Favored Glycine 0 N--CA 1.452 -0.3 0 CA-C-N 115.964 -0.562 . . . . 51.22 112.157 -178.277 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -88.07 -133.54 4.3 Favored Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 120.973 -0.632 . . . . 64.12 112.28 178.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -103.56 -29.13 11.32 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.976 0.417 . . . . 71.25 110.924 -175.615 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 81.86 83.99 0.79 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.905 -0.664 . . . . 53.13 112.075 -179.088 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -164.11 147.25 9.48 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.934 -0.395 . . . . 45.11 109.934 -179.453 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -88.94 76.56 7.86 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.81 0.814 . . . . 74.14 110.671 -178.152 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -112.54 -124.87 4.37 Favored Glycine 0 N--CA 1.452 -0.277 0 CA-C-N 114.93 -1.032 . . . . 72.12 111.288 175.598 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 44' ' ' THR . . . . . 0.62 ' H ' ' HA ' ' B' ' 30' ' ' LEU . 77.3 m -127.78 144.91 51.06 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.94 -0.393 . . . . 35.03 109.94 175.433 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 45' ' ' ASN . . . . . 0.444 ' HB2' ' HB3' ' B' ' 48' ' ' GLN . 14.3 m120 -79.88 143.0 57.07 Favored Pre-proline 0 CA--C 1.534 0.351 0 CA-C-N 116.214 -0.448 . . . . 71.14 110.238 178.78 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 46' ' ' PRO . . . . . 0.565 ' HB3' ' SG ' ' A' ' 57' ' ' CYS . 38.0 Cg_exo -61.32 -64.15 0.09 OUTLIER 'Trans proline' 0 C--N 1.35 0.633 0 C-N-CA 123.18 2.587 . . . . 54.41 113.116 -176.526 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 47' ' ' GLU . . . . . 0.477 ' HG2' HG21 ' B' ' 83' ' ' VAL . 0.0 OUTLIER -63.11 -30.25 71.44 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.009 -0.541 . . . . 73.03 110.311 -175.904 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . 0.444 ' HB3' ' HB2' ' B' ' 45' ' ' ASN . 7.7 tt0 -65.01 -42.95 93.97 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.581 -0.736 . . . . 65.22 110.395 175.058 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 49' ' ' LEU . . . . . 0.458 HD12 ' HA3' ' A' ' 53' ' ' GLY . 3.3 tm? -61.09 -47.77 84.76 Favored 'General case' 0 C--O 1.235 0.333 0 N-CA-C 109.074 -0.713 . . . . 73.15 109.074 179.366 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 46.0 t80 -58.78 -46.09 88.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.695 -0.684 . . . . 74.53 110.785 175.568 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . 0.416 ' HB2' ' CG1' ' B' ' 83' ' ' VAL . . . -52.45 -53.02 50.94 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.064 -0.516 . . . . 63.22 111.302 178.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.22 -46.87 88.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.054 -0.521 . . . . 74.31 110.896 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . 0.483 ' HA3' HD12 ' A' ' 49' ' ' LEU . . . -62.34 -42.06 99.73 Favored Glycine 0 N--CA 1.451 -0.309 0 CA-C-N 115.803 -0.635 . . . . 73.22 112.495 -179.322 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 8.7 t80 -75.49 -34.85 60.88 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 122.11 0.164 . . . . 73.14 110.923 -176.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 19.9 p -67.07 -44.66 79.51 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 109.881 -0.415 . . . . 71.55 109.881 178.093 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 56' ' ' ALA . . . . . 0.534 ' HB1' HD21 ' A' ' 30' ' ' LEU . . . -65.01 -43.38 92.7 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.913 -0.585 . . . . 72.32 110.361 175.72 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 57' ' ' CYS . . . . . 0.442 ' SG ' ' HE2' ' B' ' 124' ' ' TYR . 42.1 t -61.83 -36.22 80.53 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.686 -0.688 . . . . 72.4 110.627 178.363 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 11.9 t80 -60.64 -35.37 76.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.91 -0.586 . . . . 52.32 109.697 -179.043 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 96.8 mt -67.25 -41.25 85.91 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.637 -0.71 . . . . 64.41 110.121 175.861 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 21.2 m -64.76 -40.41 95.24 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 116.055 -0.521 . . . . 73.23 110.87 178.728 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.68 -50.71 56.31 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.009 0.433 . . . . 44.1 110.174 178.71 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 62' ' ' MET . . . . . 0.622 ' HG3' HD11 ' B' ' 73' ' ' LEU . 3.2 tpt -58.04 -30.78 66.42 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 115.714 -0.675 . . . . 71.0 109.876 176.647 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 38.9 ttmt -70.39 -48.13 57.62 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.646 -0.706 . . . . 72.03 110.482 177.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 66.7 t80 -59.75 -36.81 77.4 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 121.118 0.485 . . . . 73.11 109.779 178.584 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 52.9 t -63.45 -49.27 83.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.643 -0.708 . . . . 75.05 109.952 173.183 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 66' ' ' ALA . . . . . 0.461 ' HA ' ' HG3' ' B' ' 71' ' ' GLN . . . -56.26 -32.55 64.63 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.116 -0.493 . . . . 74.13 111.07 -179.785 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -70.12 -30.49 69.71 Favored Glycine 0 N--CA 1.453 -0.194 0 CA-C-N 115.699 -0.682 . . . . 75.04 112.003 -177.128 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 68' ' ' GLN . . . . . 0.401 ' HG3' HD22 ' B' ' 69' ' ' ASN . 11.2 pt20 -99.15 -15.13 19.06 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.221 0.534 . . . . 64.5 109.957 -179.077 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 69' ' ' ASN . . . . . 0.401 HD22 ' HG3' ' B' ' 68' ' ' GLN . 1.0 OUTLIER -92.9 -2.54 55.75 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.482 -0.781 . . . . 65.21 110.51 177.289 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 60.61 22.73 12.52 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 115.683 -0.69 . . . . 73.12 111.489 176.482 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . 0.461 ' HG3' ' HA ' ' B' ' 66' ' ' ALA . 2.0 pt20 -104.75 165.04 11.34 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.223 -0.899 . . . . 74.24 109.199 175.81 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 29.1 p -126.23 138.16 53.6 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.425 -0.352 . . . . 74.12 110.16 -177.601 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 73' ' ' LEU . . . . . 0.622 HD11 ' HG3' ' B' ' 62' ' ' MET . 95.8 mt -106.97 137.88 19.65 Favored Pre-proline 0 C--N 1.324 -0.506 0 CA-C-N 116.146 -0.479 . . . . 75.15 110.294 -179.067 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 74' ' ' PRO . . . . . 0.466 ' O ' HG22 ' B' ' 77' ' ' THR . 37.9 Cg_endo -66.4 139.25 53.57 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 123.012 2.474 . . . . 62.01 112.039 177.574 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -76.76 -7.76 56.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.325 0.583 . . . . 71.53 110.577 178.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -87.82 2.79 50.47 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 115.769 -0.651 . . . . 60.22 111.093 -179.365 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 77' ' ' THR . . . . . 0.466 HG22 ' O ' ' B' ' 74' ' ' PRO . 13.0 t -77.76 157.35 30.06 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.141 -0.481 . . . . 73.25 111.236 -177.223 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 8.4 m -148.49 149.08 31.03 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.167 -0.469 . . . . 71.23 110.428 -179.714 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 74.0 t -129.77 119.52 47.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 N-CA-C 109.115 -0.698 . . . . 54.24 109.115 173.066 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 80' ' ' THR . . . . . 0.401 ' HA ' ' HA ' ' A' ' 10' ' ' THR . 24.5 m -105.7 110.59 22.96 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.06 0.457 . . . . 72.42 110.566 -177.238 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -96.61 107.73 20.22 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.823 -0.626 . . . . 73.43 109.643 178.307 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 82' ' ' GLU . . . . . 0.423 ' HA ' ' HA ' ' A' ' 8' ' ' ALA . 35.8 tt0 -103.91 116.78 32.89 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.033 -0.728 . . . . 71.23 109.033 179.264 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . 0.477 HG21 ' HG2' ' B' ' 47' ' ' GLU . 14.2 m -105.51 146.83 11.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.959 -0.564 . . . . 71.44 111.17 -174.546 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 84' ' ' GLY . . . . . 0.445 ' HA2' ' HA ' ' A' ' 6' ' ' LYS . . . -141.94 158.64 26.79 Favored Glycine 0 N--CA 1.44 -1.073 0 CA-C-N 115.525 -0.761 . . . . 52.45 111.308 178.344 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -140.65 133.26 31.8 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 N-CA-C 109.238 -0.652 . . . . 73.1 109.238 -178.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 86' ' ' GLY . . . . . 0.403 ' HA2' ' HG ' ' A' ' 4' ' ' LEU . . . -149.63 169.65 29.83 Favored Glycine 0 CA--C 1.517 0.212 0 O-C-N 123.875 0.734 . . . . 52.3 111.448 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 87' ' ' PRO . . . . . 0.739 ' HD3' ' HG ' ' A' ' 4' ' ' LEU . 9.3 Cg_exo -71.13 127.29 13.33 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.743 2.295 . . . . 61.3 111.714 -178.589 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 88' ' ' ASN . . . . . 0.511 ' HB2' ' HB2' ' B' ' 94' ' ' ALA . 24.6 t-20 -73.56 160.08 32.18 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.605 -0.517 . . . . 72.3 109.605 179.26 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -65.09 -16.83 63.9 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-O 120.85 0.357 . . . . 65.22 110.997 -179.376 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -74.05 -21.32 59.99 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-O 121.202 0.525 . . . . 74.05 110.619 174.129 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.24 3.07 44.8 Favored Glycine 0 CA--C 1.519 0.322 0 CA-C-N 115.953 -0.567 . . . . 72.2 112.521 -177.467 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . -98.53 -152.21 27.64 Favored Glycine 0 C--N 1.329 0.194 0 N-CA-C 111.004 -0.838 . . . . 70.13 111.004 176.593 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 93' ' ' PHE . . . . . . . . . . . . . 9.7 m-85 -102.37 155.39 18.27 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 117.299 0.55 . . . . 73.12 110.727 174.793 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 94' ' ' ALA . . . . . 0.511 ' HB2' ' HB2' ' B' ' 88' ' ' ASN . . . -144.59 139.43 28.12 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.396 -0.82 . . . . 62.21 109.312 178.362 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -100.8 149.34 23.94 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.159 0.504 . . . . 74.21 110.858 -178.078 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 96' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -137.72 110.53 7.64 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 114.92 -1.036 . . . . 73.53 108.514 178.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 97' ' ' VAL . . . . . 0.495 ' O ' ' HA ' ' B' ' 134' ' ' VAL . 2.4 p -122.92 117.44 51.8 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.082 0 CA-C-O 121.15 0.5 . . . . 65.34 111.253 -176.032 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -106.14 118.59 37.03 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.817 -0.629 . . . . 74.42 110.298 179.826 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 82.8 mt -95.89 111.81 23.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.576 -0.738 . . . . 61.12 109.572 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 100' ' ' ARG . . . . . 0.586 ' HA ' ' O ' ' B' ' 137' ' ' VAL . 86.7 mtt180 -99.04 113.35 25.5 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 110.056 -0.349 . . . . 64.11 110.056 -177.14 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 101' ' ' VAL . . . . . . . . . . . . . 82.5 t -98.21 111.64 28.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.889 -0.596 . . . . 60.12 110.559 -176.624 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -114.14 101.56 9.32 Favored 'General case' 0 C--O 1.236 0.358 0 O-C-N 123.353 0.408 . . . . 53.32 110.028 177.365 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 103' ' ' LEU . . . . . 0.708 HD23 HD22 ' B' ' 106' ' ' LEU . 31.8 tp -113.85 120.4 39.14 Favored Pre-proline 0 C--N 1.324 -0.523 0 N-CA-C 108.687 -0.856 . . . . 72.24 108.687 178.754 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 104' ' ' PRO . . . . . 0.481 ' HD2' HD12 ' B' ' 103' ' ' LEU . 39.2 Cg_endo -69.91 144.27 52.74 Favored 'Trans proline' 0 N--CA 1.459 -0.52 0 C-N-CA 122.083 1.855 . . . . 74.24 111.978 -175.878 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 105' ' ' GLY . . . . . . . . . . . . . . . 72.0 15.17 76.26 Favored Glycine 0 CA--C 1.521 0.439 0 CA-C-N 115.38 -0.827 . . . . 72.34 112.622 -176.815 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 106' ' ' LEU . . . . . 0.708 HD22 HD23 ' B' ' 103' ' ' LEU . 36.2 tp -118.47 139.5 51.32 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 120.913 0.387 . . . . 60.53 111.121 -179.128 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -86.13 148.36 25.72 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.605 -0.725 . . . . 63.12 110.318 174.027 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 108' ' ' ALA . . . . . 0.5 ' O ' ' HG2' ' B' ' 112' ' ' LYS . . . -61.46 -38.88 88.84 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.851 0.357 . . . . 34.32 110.695 178.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -55.59 -42.37 74.71 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 115.946 -0.57 . . . . 64.51 111.379 -179.549 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 110' ' ' ALA . . . . . 0.489 ' O ' HG22 ' B' ' 113' ' ' THR . . . -77.8 -38.08 47.3 Favored 'General case' 0 C--O 1.239 0.539 0 CA-C-O 121.402 0.62 . . . . 72.03 110.173 177.342 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 111' ' ' ALA . . . . . 0.479 ' O ' HG23 ' B' ' 115' ' ' VAL . . . -56.14 -34.91 66.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.395 -0.821 . . . . 64.14 110.809 179.248 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 112' ' ' LYS . . . . . 0.5 ' HG2' ' O ' ' B' ' 108' ' ' ALA . 29.7 mmmt -53.74 -49.37 68.3 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-N 116.29 -0.414 . . . . 74.45 110.691 177.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 113' ' ' THR . . . . . 0.489 HG22 ' O ' ' B' ' 110' ' ' ALA . 1.3 t -74.73 -36.2 62.67 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.399 -0.364 . . . . 72.03 110.364 -177.352 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 114' ' ' LEU . . . . . 0.451 ' HG ' ' O ' ' B' ' 110' ' ' ALA . 51.9 mt -63.16 -46.09 88.78 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-O 120.876 0.369 . . . . 70.23 110.645 -178.857 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 115' ' ' VAL . . . . . 0.532 HG21 HG12 ' B' ' 138' ' ' VAL . 58.3 t -68.69 -36.7 75.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.992 -0.549 . . . . 63.55 110.251 178.595 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -58.87 -51.93 67.93 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-N 116.11 -0.496 . . . . 75.43 110.648 179.535 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 117' ' ' ARG . . . . . 0.471 ' HG2' ' O ' ' B' ' 113' ' ' THR . 5.9 ptm180 -69.98 -46.79 64.43 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-N 115.892 -0.595 . . . . 70.2 110.805 -177.371 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -60.71 -45.33 94.66 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 121.18 0.514 . . . . 61.11 110.983 -176.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 119' ' ' HIS . . . . . 0.545 ' CD2' ' HB3' ' B' ' 129' ' ' ARG . 46.3 t60 -75.0 -1.16 21.4 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 115.753 -0.658 . . . . 74.31 110.683 -177.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 120' ' ' HIS . . . . . 0.525 ' HB2' ' NH1' ' B' ' 129' ' ' ARG . 42.3 t-80 -108.58 -40.94 4.95 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 116.152 -0.476 . . . . 61.52 111.16 178.837 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 121' ' ' VAL . . . . . 0.427 HG22 ' O ' ' B' ' 117' ' ' ARG . 24.4 m -92.45 -26.58 4.84 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.428 0 N-CA-C 112.373 0.508 . . . . 63.42 112.373 -172.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 122' ' ' CYS . . . . . 0.542 ' N ' ' HD3' ' B' ' 123' ' ' PRO . 66.6 m -139.45 58.01 11.33 Favored Pre-proline 0 CA--C 1.534 0.342 0 CA-C-O 120.8 0.333 . . . . 74.53 111.815 -178.66 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 123' ' ' PRO . . . . . 0.542 ' HD3' ' N ' ' B' ' 122' ' ' CYS . 53.7 Cg_endo -101.0 -170.3 0.09 OUTLIER 'Trans proline' 0 N--CA 1.452 -0.952 0 C-N-CA 123.274 2.649 . . . . 65.25 111.668 174.072 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 124' ' ' TYR . . . . . 0.442 ' HE2' ' SG ' ' B' ' 57' ' ' CYS . 4.3 m-30 . . . . . 0 C--N 1.328 -0.34 0 N-CA-C 109.795 -0.446 . . . . 65.35 109.795 172.513 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 128' ' ' THR . . . . . 0.518 HG23 ' NE2' ' B' ' 119' ' ' HIS . 4.5 t . . . . . 0 CA--C 1.516 -0.356 0 N-CA-C 108.418 -0.956 . . . . 55.14 108.418 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 129' ' ' ARG . . . . . 0.545 ' HB3' ' CD2' ' B' ' 119' ' ' HIS . 15.7 ptm180 -135.45 -52.46 0.76 Allowed 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 114.829 -1.078 . . . . 75.21 111.005 178.291 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 130' ' ' ASN . . . . . . . . . . . . . 83.9 m-20 -78.91 -28.1 43.89 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.788 -0.642 . . . . 74.14 112.217 -175.28 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 131' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -98.62 -42.31 7.32 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.999 0.428 . . . . 75.43 111.025 -175.609 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 132' ' ' VAL . . . . . . . . . . . . . 67.5 t -100.31 139.37 21.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.862 -0.608 . . . . 52.13 110.487 -173.796 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 133' ' ' ALA . . . . . . . . . . . . . . . -69.26 83.33 0.36 Allowed 'General case' 0 C--O 1.241 0.62 0 CA-C-O 121.89 0.852 . . . . 72.23 111.023 -178.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 134' ' ' VAL . . . . . 0.495 ' HA ' ' O ' ' B' ' 97' ' ' VAL . 22.1 t -114.26 122.87 69.25 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.801 0 CA-C-N 114.29 -1.323 . . . . 61.1 110.07 177.459 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 135' ' ' ARG . . . . . 0.408 HH11 ' HD2' ' B' ' 135' ' ' ARG . 2.5 tpm_? -94.03 105.47 17.48 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.652 -0.499 . . . . 74.32 109.652 176.449 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 80.7 mt -77.29 101.96 6.51 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-O 121.339 0.59 . . . . 72.41 109.657 175.767 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 137' ' ' VAL . . . . . 0.586 ' O ' ' HA ' ' B' ' 100' ' ' ARG . 0.2 OUTLIER -112.99 114.59 47.41 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 CA-C-N 114.707 -1.133 . . . . 72.22 110.062 -176.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 138' ' ' VAL . . . . . 0.532 HG12 HG21 ' B' ' 115' ' ' VAL . 3.5 m -96.81 138.61 21.44 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-N 115.172 -0.922 . . . . 70.52 109.302 -179.035 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 139' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.219 0 CA-C-O 118.548 -0.739 . . . . 71.35 110.87 -175.174 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.4 ptt? . . . . . 0 N--CA 1.485 1.32 0 N-CA-C 110.629 -0.137 . . . . 71.43 110.629 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 55.9 t30 -73.39 77.95 1.38 Allowed 'General case' 0 CA--C 1.532 0.269 0 CA-C-O 121.429 0.633 . . . . 75.52 110.696 176.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.523 HG21 ' HB2' ' A' ' 6' ' ' LYS . 38.2 mm -71.33 136.74 25.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.382 -0.826 . . . . 51.02 111.346 175.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.599 ' HG ' ' HD3' ' B' ' 87' ' ' PRO . 89.9 mt -90.5 -47.36 7.75 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.558 -0.746 . . . . 74.21 110.208 175.397 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 50.8 t80 -136.2 130.73 33.6 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.39 -0.368 . . . . 54.43 110.144 178.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.523 ' HB2' HG21 ' A' ' 3' ' ' ILE . 37.6 ttmt -130.02 132.49 46.25 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.939 0.4 . . . . 62.42 110.804 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 10.1 t -124.17 174.02 7.94 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.695 -0.684 . . . . 73.02 109.458 177.681 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -145.6 134.67 22.69 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-O 120.701 0.286 . . . . 64.34 110.998 -177.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -130.78 120.36 23.65 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.889 -0.596 . . . . 65.14 109.807 178.655 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.55 ' HA ' ' HA ' ' B' ' 80' ' ' THR . 13.7 t -98.31 146.85 25.26 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.953 -0.388 . . . . 73.43 109.953 -177.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 41.4 p -144.53 114.4 7.31 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.894 0.378 . . . . 71.32 111.551 -177.505 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 6.8 m -89.94 159.22 17.03 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.07 -0.514 . . . . 72.12 110.451 178.674 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -92.27 47.85 2.64 Favored Glycine 0 N--CA 1.454 -0.119 0 N-CA-C 110.985 -0.846 . . . . 62.44 110.985 174.497 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -44.04 -98.27 0.01 OUTLIER Glycine 0 C--N 1.341 0.815 0 N-CA-C 114.973 0.749 . . . . 62.02 114.973 -169.271 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.527 ' HA ' ' NE ' ' A' ' 15' ' ' ARG . 4.2 mmp_? -89.17 -54.87 3.91 Favored 'General case' 0 N--CA 1.464 0.243 0 O-C-N 122.481 -0.423 . . . . 73.04 110.085 178.852 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -123.2 -43.28 2.21 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 108.026 -1.102 . . . . 74.22 108.026 171.472 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.418 ' O ' ' HG3' ' A' ' 29' ' ' LYS . . . -164.78 164.41 36.93 Favored Glycine 0 C--N 1.338 0.671 0 N-CA-C 111.36 -0.696 . . . . 73.12 111.36 163.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.497 ' HA ' ' HA ' ' A' ' 29' ' ' LYS . 38.3 ttm180 -140.04 145.85 38.24 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 109.383 -0.599 . . . . 73.24 109.383 177.34 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.493 ' HB2' ' HB2' ' B' ' 56' ' ' ALA . . . -144.43 123.88 13.14 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.988 0.423 . . . . 71.12 110.22 178.219 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 31.9 m -138.28 111.58 8.01 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.845 -0.616 . . . . 63.53 110.598 -178.335 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.576 ' HB3' ' N ' ' A' ' 26' ' ' LEU . 29.0 t -70.58 107.81 4.05 Favored 'General case' 0 C--O 1.245 0.849 0 N-CA-C 107.138 -1.43 . . . . 62.3 107.138 173.023 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.427 ' C ' ' H ' ' A' ' 24' ' ' GLN . 0.0 OUTLIER -58.52 -21.07 51.07 Favored 'General case' 0 N--CA 1.468 0.446 0 O-C-N 125.359 1.662 . . . . 71.44 112.465 -163.785 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -80.45 16.46 1.32 Allowed 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.672 -0.492 . . . . 73.43 109.672 177.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.427 ' H ' ' C ' ' A' ' 22' ' ' HIS . 30.0 mm-40 65.29 22.05 12.05 Favored 'General case' 0 CA--C 1.521 -0.166 0 CA-C-N 115.186 -0.915 . . . . 72.53 110.292 -179.63 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.543 ' HE2' ' HA ' ' A' ' 25' ' ' LYS . 11.5 mmpt? -81.11 -22.82 38.83 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.439 -0.801 . . . . 73.44 109.9 177.154 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.576 ' N ' ' HB3' ' A' ' 21' ' ' SER . 45.9 tp -154.09 142.93 21.03 Favored 'General case' 0 C--O 1.225 -0.234 0 C-N-CA 120.625 -0.43 . . . . 74.42 110.712 177.642 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -155.88 96.8 1.77 Allowed 'General case' 0 C--N 1.327 -0.373 0 O-C-N 123.312 0.383 . . . . 74.13 110.777 174.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.409 HG22 HD11 ' A' ' 26' ' ' LEU . 2.6 m -147.75 166.15 5.44 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.226 0 CA-C-O 121.608 0.718 . . . . 62.12 111.577 176.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.497 ' HA ' ' HA ' ' A' ' 18' ' ' ARG . 10.9 ttpp -110.67 137.23 48.61 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 114.707 -1.133 . . . . 62.42 109.068 172.641 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.626 ' HB2' ' O ' ' A' ' 44' ' ' THR . 0.0 OUTLIER -123.92 177.25 5.85 Favored 'General case' 0 C--O 1.249 1.07 0 CA-C-O 120.997 0.427 . . . . 64.12 110.796 -178.493 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.522 ' HB3' ' HB3' ' A' ' 41' ' ' ALA . 34.0 p -152.84 130.24 11.36 Favored 'General case' 0 N--CA 1.446 -0.66 0 CA-C-N 115.391 -0.822 . . . . 75.34 111.338 -173.535 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.439 ' HB2' ' HB3' ' B' ' 60' ' ' SER . . . -68.59 162.64 61.15 Favored Pre-proline 0 C--N 1.326 -0.448 0 N-CA-C 109.079 -0.711 . . . . 52.21 109.079 171.517 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_exo -59.09 82.79 0.05 OUTLIER 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 121.56 1.507 . . . . 73.33 111.47 175.458 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.514 ' HG3' ' N ' ' A' ' 40' ' ' GLY . 4.0 tmt_? -56.26 -21.5 24.15 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-O 121.21 0.528 . . . . 50.12 110.109 177.667 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 36.7 mm-40 -54.31 -26.6 30.37 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.171 -0.922 . . . . 75.14 111.654 176.747 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 61.0 mt -113.21 -39.42 4.17 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.115 -0.493 . . . . 63.44 110.585 -173.501 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 172.97 65.22 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 121.155 -0.545 . . . . 72.22 112.125 178.445 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.503 ' N ' ' HA ' ' A' ' 34' ' ' ARG . . . -111.37 -132.69 6.08 Favored Glycine 0 N--CA 1.46 0.292 0 C-N-CA 120.738 -0.744 . . . . 73.44 112.578 178.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -134.6 -28.05 1.28 Allowed 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 122.521 0.329 . . . . 63.22 111.178 179.57 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.514 ' N ' ' HG3' ' A' ' 34' ' ' ARG . . . 107.34 96.2 2.44 Favored Glycine 0 C--N 1.336 0.538 0 C-N-CA 120.858 -0.687 . . . . 45.53 113.325 176.79 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.522 ' HB3' ' HB3' ' A' ' 31' ' ' SER . . . -164.62 161.27 20.84 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.698 -0.482 . . . . 44.21 109.698 174.351 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -103.43 66.12 0.87 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.36 0.6 . . . . 71.23 110.452 -178.354 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.451 ' HA3' ' HA ' ' A' ' 30' ' ' LEU . . . -120.15 -152.37 8.95 Favored Glycine 0 N--CA 1.452 -0.274 0 CA-C-N 115.974 -0.557 . . . . 55.55 112.598 -177.632 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.626 ' O ' ' HB2' ' A' ' 30' ' ' LEU . 62.3 m -98.62 140.77 32.34 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 122.562 0.345 . . . . 74.01 110.422 -177.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 19.2 m120 -80.39 131.62 61.32 Favored Pre-proline 0 C--N 1.325 -0.49 0 N-CA-C 110.653 -0.128 . . . . 72.33 110.653 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.808 ' HB3' ' SG ' ' B' ' 57' ' ' CYS . 90.7 Cg_exo -47.62 -45.65 22.98 Favored 'Trans proline' 0 C--N 1.351 0.671 0 C-N-CA 123.605 2.87 . . . . 63.04 112.705 178.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.566 ' HG2' HD11 ' A' ' 95' ' ' LEU . 3.7 mp0 -56.29 -50.74 70.53 Favored 'General case' 0 C--O 1.238 0.466 0 CA-C-N 115.458 -0.792 . . . . 62.13 109.78 -178.531 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -65.7 -38.44 89.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 114.844 -1.071 . . . . 72.35 110.122 -178.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.531 HD12 ' HA3' ' B' ' 53' ' ' GLY . 1.9 tm? -60.25 -51.42 69.64 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.226 -0.443 . . . . 71.11 109.884 -177.04 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 55.8 t80 -62.54 -47.82 82.2 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.153 -0.476 . . . . 64.45 110.44 178.082 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.544 ' HB1' ' HB1' ' A' ' 81' ' ' ALA . . . -55.03 -53.25 58.19 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 116.321 -0.4 . . . . 52.03 111.756 -179.314 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.51 -47.07 77.23 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.214 -0.448 . . . . 51.43 110.672 -178.207 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.404 ' HA3' HD12 ' B' ' 49' ' ' LEU . . . -58.57 -38.45 91.33 Favored Glycine 0 C--O 1.227 -0.288 0 CA-C-N 115.857 -0.61 . . . . 45.35 111.89 177.856 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -68.3 -42.09 79.95 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 122.595 0.358 . . . . 71.4 110.139 178.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 50.8 m -61.74 -52.27 64.94 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-O 121.123 0.487 . . . . 50.31 110.208 178.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.523 ' HB1' HD21 ' B' ' 30' ' ' LEU . . . -60.79 -42.51 97.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.771 -0.65 . . . . 72.41 110.582 177.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 50.8 t -61.97 -36.5 81.63 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.048 -0.523 . . . . 74.4 110.257 178.426 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 21.9 t80 -66.91 -34.87 78.72 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 109.697 -0.483 . . . . 64.12 109.697 -179.376 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.462 HD21 HG23 ' A' ' 79' ' ' VAL . 96.0 mt -70.78 -34.85 72.23 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 115.964 -0.562 . . . . 74.12 110.594 176.695 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 33.2 t -68.71 -44.61 73.55 Favored 'General case' 0 C--O 1.236 0.362 0 N-CA-C 109.523 -0.547 . . . . 74.4 109.523 175.658 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.443 ' O ' HG23 ' A' ' 65' ' ' VAL . . . -60.08 -50.43 73.73 Favored 'General case' 0 C--O 1.223 -0.324 0 CA-C-N 115.622 -0.717 . . . . 64.15 110.169 178.093 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.94 -32.09 69.29 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 116.233 -0.439 . . . . 61.32 110.968 177.64 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.54 ' HB2' ' HZ2' ' A' ' 63' ' ' LYS . 4.4 ttmp? -65.0 -49.4 70.39 Favored 'General case' 0 C--O 1.235 0.322 0 N-CA-C 109.814 -0.439 . . . . 62.32 109.814 177.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 84.4 t80 -64.31 -43.84 93.43 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 115.812 -0.631 . . . . 70.35 110.729 178.287 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.443 HG23 ' O ' ' A' ' 61' ' ' ALA . 54.3 t -54.7 -49.71 65.97 Favored 'Isoleucine or valine' 0 C--O 1.235 0.298 0 CA-C-N 116.138 -0.483 . . . . 51.41 110.167 177.567 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.501 ' HA ' ' HG3' ' A' ' 71' ' ' GLN . . . -56.29 -32.78 64.9 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.962 -0.563 . . . . 55.45 109.881 176.472 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -71.91 -29.45 67.1 Favored Glycine 0 CA--C 1.518 0.234 0 CA-C-N 115.219 -0.9 . . . . 65.01 112.585 -177.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -99.05 -9.54 23.77 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 121.282 0.563 . . . . 73.33 109.858 -179.491 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 24.1 m-80 -103.2 3.02 35.2 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.357 -0.838 . . . . 73.35 110.113 175.424 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.438 ' N ' ' HD3' ' A' ' 70' ' ' LYS . 17.7 mmtp 64.6 19.64 11.88 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 114.868 -1.06 . . . . 70.5 111.422 171.082 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.501 ' HG3' ' HA ' ' A' ' 66' ' ' ALA . 4.0 pt20 -110.68 168.44 9.47 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.11 -0.95 . . . . 65.11 110.063 -179.213 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 3.6 p -127.93 138.05 52.5 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.346 -0.388 . . . . 71.13 110.43 178.14 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.402 ' HA ' ' HD3' ' A' ' 74' ' ' PRO . 94.7 mt -109.12 143.42 27.62 Favored Pre-proline 0 CA--C 1.533 0.323 0 CA-C-N 116.086 -0.507 . . . . 63.13 110.01 -178.787 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.506 ' HB2' ' HG2' ' A' ' 104' ' ' PRO . 31.5 Cg_exo -59.69 131.66 41.29 Favored 'Trans proline' 0 C--N 1.352 0.711 0 C-N-CA 123.048 2.498 . . . . 75.32 112.564 -178.222 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -77.28 0.38 22.3 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 112.054 0.39 . . . . 74.43 112.054 -177.749 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -90.96 1.29 57.16 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.21 0.529 . . . . 72.44 111.172 -178.622 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.411 ' HB ' HD12 ' A' ' 103' ' ' LEU . 9.9 t -74.21 152.55 39.75 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.732 -0.667 . . . . 73.42 112.092 -173.803 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 14.4 m -146.77 149.32 33.15 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 115.577 -0.738 . . . . 65.01 110.164 179.505 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.462 HG23 HD21 ' A' ' 59' ' ' LEU . 69.8 t -126.55 121.65 59.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 N-CA-C 109.564 -0.532 . . . . 73.54 109.564 175.122 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 18.4 m -104.79 111.81 24.69 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.946 0.403 . . . . 61.0 110.626 -178.289 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.544 ' HB1' ' HB1' ' A' ' 51' ' ' ALA . . . -96.37 108.81 21.38 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.913 -0.585 . . . . 75.0 110.07 -179.055 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.434 ' HA ' ' HA ' ' B' ' 8' ' ' ALA . 41.7 tt0 -105.47 107.86 19.07 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.171 -0.468 . . . . 74.0 109.998 -177.351 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.472 HG12 ' HB ' ' A' ' 97' ' ' VAL . 24.7 m -104.85 137.67 33.06 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.329 0 CA-C-O 121.079 0.466 . . . . 74.25 111.642 -174.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -133.85 154.38 21.3 Favored Glycine 0 N--CA 1.444 -0.815 0 N-CA-C 110.78 -0.928 . . . . 64.22 110.78 174.342 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.429 ' CG2' ' HB3' ' B' ' 5' ' ' TYR . 0.0 OUTLIER -137.37 132.54 45.85 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 N-CA-C 109.603 -0.517 . . . . 71.32 109.603 -179.826 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -150.74 169.55 30.56 Favored Glycine 0 CA--C 1.517 0.195 0 CA-C-N 115.635 -0.711 . . . . 64.2 111.496 178.203 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.656 ' HD3' ' HG ' ' B' ' 4' ' ' LEU . 3.4 Cg_exo -78.97 120.16 4.55 Favored 'Trans proline' 0 N--CA 1.46 -0.498 0 C-N-CA 122.757 2.305 . . . . 75.13 111.181 -178.403 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . 0.471 ' HB3' ' HB2' ' A' ' 94' ' ' ALA . 32.7 p30 -84.87 168.92 14.62 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.997 0.427 . . . . 63.43 111.131 -177.617 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -55.74 -27.74 52.2 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 115.346 -0.843 . . . . 74.31 111.131 178.407 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -69.34 -27.42 65.33 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 116.05 -0.523 . . . . 62.35 110.832 -177.374 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.12 15.84 20.56 Favored Glycine 0 C--O 1.233 0.078 0 C-N-CA 121.125 -0.56 . . . . 52.42 112.298 179.197 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -121.92 -165.39 12.52 Favored Glycine 0 N--CA 1.452 -0.278 0 N-CA-C 111.254 -0.739 . . . . 74.12 111.254 176.766 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 41.4 m-85 -98.05 129.38 44.9 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.905 0.383 . . . . 72.25 110.07 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.471 ' HB2' ' HB3' ' A' ' 88' ' ' ASN . . . -116.95 134.38 54.83 Favored 'General case' 0 C--O 1.238 0.496 0 CA-C-N 115.827 -0.624 . . . . 73.43 110.252 -178.435 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.566 HD11 ' HG2' ' A' ' 47' ' ' GLU . 4.4 mm? -100.95 120.36 40.06 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.572 -0.74 . . . . 75.45 110.685 -179.335 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -110.03 110.34 21.22 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 108.406 -0.961 . . . . 62.1 108.406 175.314 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.472 ' HB ' HG12 ' A' ' 83' ' ' VAL . 2.1 p -119.97 111.95 34.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 121.47 0.652 . . . . 41.42 111.648 -175.743 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.468 ' HA ' ' HB2' ' A' ' 135' ' ' ARG . 51.0 mt-10 -84.99 105.97 16.14 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.333 -0.849 . . . . 51.52 109.205 176.462 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 23.9 tp -93.65 109.47 21.11 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.562 -0.533 . . . . 73.33 109.562 -177.561 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.597 ' HA ' ' O ' ' A' ' 137' ' ' VAL . 49.6 mtt-85 -99.46 116.72 32.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.034 -0.53 . . . . 73.43 110.726 -173.335 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 41.9 t -103.72 99.77 9.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 115.938 -0.573 . . . . 72.23 110.339 -176.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -99.12 101.66 13.08 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-O 120.876 0.369 . . . . 73.1 110.411 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.797 HD23 HD22 ' A' ' 106' ' ' LEU . 32.7 tp -115.71 117.46 40.04 Favored Pre-proline 0 C--N 1.328 -0.368 0 N-CA-C 109.3 -0.63 . . . . 73.31 109.3 179.131 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . 0.555 ' HD2' HD12 ' A' ' 103' ' ' LEU . 57.4 Cg_endo -71.79 150.7 56.39 Favored 'Trans proline' 0 C--O 1.235 0.327 0 C-N-CA 122.764 2.309 . . . . 73.52 112.075 -177.303 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 73.56 15.13 79.28 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.688 -0.767 . . . . 54.45 111.94 -177.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.797 HD22 HD23 ' A' ' 103' ' ' LEU . 41.8 tp -129.9 143.04 50.6 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 122.706 0.402 . . . . 65.03 110.919 -176.798 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . 0.427 ' HB3' ' H ' ' A' ' 110' ' ' ALA . 1.6 t70 -81.06 165.54 21.56 Favored 'General case' 0 CA--C 1.511 -0.522 0 CA-C-N 116.08 -0.509 . . . . 72.42 110.835 177.474 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.454 ' O ' ' HG3' ' A' ' 112' ' ' LYS . . . -68.77 -46.47 68.69 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.723 -0.671 . . . . 74.35 109.763 168.463 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -59.41 -41.5 89.64 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-N 115.251 -0.886 . . . . 64.13 111.019 -176.609 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.554 ' O ' HG22 ' A' ' 113' ' ' THR . . . -76.64 -43.44 38.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.135 -0.484 . . . . 73.25 109.986 177.691 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -54.53 -34.9 62.57 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 116.054 -0.521 . . . . 54.13 111.369 178.421 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.454 ' HG3' ' O ' ' A' ' 108' ' ' ALA . 10.5 mtpm? -54.63 -49.57 70.2 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.392 -0.367 . . . . 74.23 111.031 179.58 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . 0.554 HG22 ' O ' ' A' ' 110' ' ' ALA . 5.8 t -74.71 -40.07 61.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.851 0.357 . . . . 74.22 110.308 -178.516 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.445 ' HG ' ' O ' ' A' ' 110' ' ' ALA . 42.6 mt -61.97 -49.05 77.66 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.211 -0.45 . . . . 61.01 111.123 -176.836 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 93.7 t -66.11 -35.68 75.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 121.018 0.437 . . . . 72.22 110.074 178.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -60.41 -60.54 3.65 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 115.636 -0.711 . . . . 63.5 110.401 179.446 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . 0.528 ' HG2' ' O ' ' A' ' 113' ' ' THR . 12.1 ptm180 -62.91 -38.05 89.41 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.955 -0.566 . . . . 65.24 110.829 -177.552 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -59.34 -51.11 71.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.994 -0.548 . . . . 63.41 110.675 178.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 37.0 t-80 -68.13 -21.56 64.92 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 116.37 -0.377 . . . . 74.13 110.512 -179.262 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 17.3 m170 -71.53 -54.57 10.11 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 120.948 0.404 . . . . 75.14 110.653 177.293 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 34.3 m -75.04 -29.51 22.15 Favored 'Isoleucine or valine' 0 C--O 1.235 0.306 0 CA-C-N 115.872 -0.604 . . . . 74.54 111.743 -173.516 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 14.1 p -145.82 88.89 6.3 Favored Pre-proline 0 CA--C 1.532 0.264 0 CA-C-O 120.836 0.351 . . . . 72.12 111.044 -179.743 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . 0.499 ' O ' ' HB2' ' A' ' 124' ' ' TYR . 17.6 Cg_endo -91.83 -78.19 0.0 OUTLIER 'Trans proline' 0 N--CA 1.453 -0.868 0 C-N-CA 122.888 2.392 . . . . 74.45 111.798 174.427 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . 0.499 ' HB2' ' O ' ' A' ' 123' ' ' PRO . 0.3 OUTLIER 165.14 -34.44 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 106.609 -1.626 . . . . 65.44 106.609 177.658 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . 0.54 ' O ' HG22 ' A' ' 128' ' ' THR . 42.1 p -166.1 155.08 11.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 113.722 -1.581 . . . . 62.44 107.901 171.847 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 16.1 m120 -63.73 -31.98 73.32 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.867 0.842 . . . . 73.42 109.417 178.238 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . 0.529 ' O ' ' HB3' ' A' ' 131' ' ' ASN . . . -80.54 6.7 11.74 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 114.859 -1.064 . . . . 54.1 112.279 -176.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . 0.54 HG22 ' O ' ' A' ' 125' ' ' SER . 5.1 t -89.06 -5.0 58.19 Favored 'General case' 0 CA--C 1.514 -0.414 0 N-CA-C 107.807 -1.183 . . . . 73.21 107.807 -175.848 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 7.4 ptm180 -129.94 -40.08 1.36 Allowed 'General case' 0 N--CA 1.444 -0.766 0 CA-C-N 114.066 -1.424 . . . . 72.04 109.622 179.276 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 88.3 m-20 -78.71 -26.16 44.79 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.336 -0.847 . . . . 71.52 111.592 -177.366 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . 0.529 ' HB3' ' O ' ' A' ' 127' ' ' ALA . 2.7 t-20 -103.97 -40.09 6.34 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 121.269 0.557 . . . . 72.12 109.563 178.871 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 20.9 t -98.16 121.52 48.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 115.306 -0.861 . . . . 70.22 109.876 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -76.16 98.65 4.45 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.086 0.469 . . . . 45.42 111.012 -176.765 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . 0.403 HG22 ' CG1' ' A' ' 97' ' ' VAL . 9.8 t -110.39 133.52 55.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.834 -0.621 . . . . 75.02 111.014 -179.718 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . 0.468 ' HB2' ' HA ' ' A' ' 98' ' ' GLU . 18.7 mmt180 -96.47 106.84 19.15 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.645 -0.872 . . . . 72.41 108.645 173.734 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 28.4 mt -77.27 101.56 6.31 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-O 121.445 0.641 . . . . 50.04 110.192 177.387 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . 0.597 ' O ' ' HA ' ' A' ' 100' ' ' ARG . 0.2 OUTLIER -113.69 116.22 51.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.1 -0.955 . . . . 74.42 109.925 -177.901 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 4.0 m -92.67 139.09 18.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.712 -0.676 . . . . 53.11 110.493 -177.637 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.316 -0.886 0 CA-C-N 115.452 -0.795 . . . . 73.13 110.566 -176.34 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 28.1 ptm . . . . . 0 C--O 1.233 0.218 0 CA-C-O 120.889 0.376 . . . . 72.42 110.69 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 42.1 t30 -97.72 86.01 3.7 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.885 -0.598 . . . . 61.35 109.862 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . 0.516 HG21 ' HB2' ' B' ' 6' ' ' LYS . 32.1 mm -67.43 112.29 2.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.055 -0.52 . . . . 72.42 111.319 177.728 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.656 ' HG ' ' HD3' ' A' ' 87' ' ' PRO . 80.7 mt -76.99 -45.42 27.44 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.173 -0.921 . . . . 75.25 110.324 179.235 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' TYR . . . . . 0.429 ' HB3' ' CG2' ' A' ' 85' ' ' ILE . 2.6 t80 -132.12 125.48 31.42 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.616 -0.72 . . . . 75.45 109.57 -176.529 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . 0.516 ' HB2' HG21 ' B' ' 3' ' ' ILE . 34.0 ttmt -136.8 142.45 42.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.924 0.392 . . . . 65.01 110.771 176.226 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . 0.402 ' CB ' ' HZ1' ' B' ' 25' ' ' LYS . 8.5 t -144.85 140.65 28.52 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.587 -0.733 . . . . 72.52 109.372 177.112 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . 0.434 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . . . -107.26 135.23 49.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.882 0.373 . . . . 64.22 110.429 -178.658 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . 0.433 ' HA ' ' H ' ' B' ' 22' ' ' HIS . . . -123.19 148.08 46.17 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.98 -0.554 . . . . 31.45 109.757 178.544 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 9.3 t -124.49 129.76 51.23 Favored 'General case' 0 N--CA 1.44 -0.936 0 N-CA-C 107.894 -1.15 . . . . 64.31 107.894 -177.3 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 50.2 m -126.47 113.26 16.59 Favored 'General case' 0 C--N 1.311 -1.1 0 CA-C-N 115.815 -0.629 . . . . 74.14 110.134 -175.487 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 3.4 m -99.07 158.15 15.86 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.827 -0.624 . . . . 53.42 111.19 -175.093 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -85.51 76.58 2.17 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.883 -0.675 . . . . 71.12 111.616 175.42 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.48 -130.22 0.01 OUTLIER Glycine 0 C--N 1.337 0.584 0 C-N-CA 121.364 -0.446 . . . . 73.4 112.433 175.757 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 68.2 mtp85 -60.4 -54.3 47.21 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 117.333 0.567 . . . . 65.14 109.544 174.408 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' ASP . . . . . 0.531 ' HB3' ' HA ' ' B' ' 31' ' ' SER . 21.6 t0 -125.7 -42.94 1.89 Allowed 'General case' 0 C--O 1.237 0.426 0 CA-C-N 115.946 -0.57 . . . . 65.33 109.839 172.188 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -160.5 157.46 28.86 Favored Glycine 0 N--CA 1.446 -0.649 0 C-N-CA 120.013 -1.089 . . . . 74.22 112.855 171.595 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' ARG . . . . . 0.495 ' HA ' ' HA ' ' B' ' 29' ' ' LYS . 17.0 ttt85 -135.25 147.02 49.14 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 108.815 -0.809 . . . . 74.4 108.815 175.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -143.66 123.8 13.69 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.897 -0.409 . . . . 64.21 109.897 -177.553 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' THR . . . . . 0.451 HG23 ' O ' ' B' ' 26' ' ' LEU . 66.8 m -140.75 119.88 12.86 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.384 -0.371 . . . . 75.11 111.042 -178.283 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' SER . . . . . 0.521 ' HB2' ' HB3' ' B' ' 26' ' ' LEU . 11.0 t -71.08 107.03 3.94 Favored 'General case' 0 C--O 1.246 0.871 0 N-CA-C 105.417 -2.068 . . . . 74.21 105.417 171.794 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' HIS . . . . . 0.433 ' H ' ' HA ' ' B' ' 9' ' ' ALA . 20.6 t-80 -61.57 -26.17 67.78 Favored 'General case' 0 CA--C 1.517 -0.293 0 O-C-N 125.529 1.768 . . . . 73.12 112.11 -161.001 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 34.7 p-10 -80.77 21.43 0.67 Allowed 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.41 0.624 . . . . 63.54 110.141 176.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . 0.402 ' H ' ' C ' ' B' ' 22' ' ' HIS . 36.3 mm-40 72.04 25.21 3.06 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 114.712 -1.131 . . . . 71.43 111.911 170.23 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.402 ' HZ1' ' CB ' ' B' ' 7' ' ' THR . 50.2 mtmt -90.27 -22.46 21.59 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.465 -0.334 . . . . 41.25 111.118 175.508 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . 0.521 ' HB3' ' HB2' ' B' ' 21' ' ' SER . 38.8 tp -148.95 143.67 26.32 Favored 'General case' 0 C--O 1.221 -0.43 0 C-N-CA 120.455 -0.498 . . . . 71.52 110.566 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -157.95 99.89 1.7 Allowed 'General case' 0 C--N 1.33 -0.27 0 O-C-N 123.59 0.556 . . . . 53.33 110.542 178.094 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 2.7 m -149.68 177.95 0.72 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.376 0 CA-C-O 121.374 0.606 . . . . 74.12 111.629 176.662 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.495 ' HA ' ' HA ' ' B' ' 18' ' ' ARG . 10.2 ttpt -133.25 146.65 51.62 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 114.932 -1.031 . . . . 64.31 109.204 176.249 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . 0.601 ' HB2' ' O ' ' B' ' 44' ' ' THR . 0.0 OUTLIER -129.59 163.66 25.53 Favored 'General case' 0 C--O 1.251 1.14 0 CA-C-O 121.023 0.439 . . . . 72.32 110.506 178.722 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . 0.531 ' HA ' ' HB3' ' B' ' 16' ' ' ASP . 57.8 p -170.89 128.27 0.75 Allowed 'General case' 0 N--CA 1.448 -0.534 0 CA-C-N 115.547 -0.752 . . . . 62.35 111.365 -174.237 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' ALA . . . . . 0.404 ' HA ' ' HD2' ' B' ' 33' ' ' PRO . . . -74.12 117.52 62.18 Favored Pre-proline 0 C--O 1.238 0.466 0 CA-C-N 116.221 -0.445 . . . . 75.13 110.007 173.562 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 33' ' ' PRO . . . . . 0.404 ' HD2' ' HA ' ' B' ' 32' ' ' ALA . 22.4 Cg_endo -60.74 149.18 89.09 Favored 'Trans proline' 0 C--N 1.348 0.518 0 C-N-CA 122.537 2.158 . . . . 71.3 111.688 179.367 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 16.2 mtm180 -75.06 67.83 1.79 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.129 0.49 . . . . 71.43 111.454 -178.773 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 68.7 mm-40 -100.05 -46.7 5.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.841 -0.618 . . . . 72.42 110.277 177.042 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 65.3 mt -115.52 5.35 14.41 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 115.917 -0.583 . . . . 63.52 111.09 -176.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 114.52 59.26 0.37 Allowed Glycine 0 N--CA 1.454 -0.133 0 N-CA-C 111.18 -0.768 . . . . 51.22 111.18 -172.452 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -100.21 -136.17 9.23 Favored Glycine 0 C--N 1.335 0.522 0 C-N-CA 121.159 -0.543 . . . . 64.12 112.077 -177.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -110.36 -49.56 3.05 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.898 0.38 . . . . 71.25 111.269 -176.001 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 120.23 79.25 0.57 Allowed Glycine 0 C--N 1.332 0.353 0 C-N-CA 121.092 -0.575 . . . . 53.13 112.02 -178.171 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -177.67 172.76 1.71 Allowed 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 122.756 0.422 . . . . 45.11 110.067 178.651 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -116.41 26.1 10.14 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.387 -0.37 . . . . 74.14 111.318 -177.493 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . 0.44 ' O ' ' HD3' ' A' ' 25' ' ' LYS . . . -68.92 -138.89 0.08 OUTLIER Glycine 0 CA--C 1.523 0.567 0 C-N-CA 121.373 -0.441 . . . . 72.12 112.82 179.46 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 44' ' ' THR . . . . . 0.601 ' O ' ' HB2' ' B' ' 30' ' ' LEU . 25.5 m -109.06 139.89 43.33 Favored 'General case' 0 C--N 1.331 -0.229 0 O-C-N 122.412 -0.463 . . . . 35.03 109.89 178.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 45' ' ' ASN . . . . . 0.53 ' HB2' ' HB3' ' B' ' 48' ' ' GLN . 1.5 m-20 -76.74 144.78 73.65 Favored Pre-proline 0 C--N 1.324 -0.52 0 N-CA-C 109.833 -0.432 . . . . 71.14 109.833 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 46' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_exo -57.91 -61.31 0.29 Allowed 'Trans proline' 0 C--N 1.352 0.762 0 C-N-CA 123.03 2.487 . . . . 54.41 113.46 -174.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 47' ' ' GLU . . . . . 0.414 ' CD ' ' H ' ' B' ' 47' ' ' GLU . 0.0 OUTLIER -65.48 -30.74 71.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.31 0.576 . . . . 73.03 109.668 -177.394 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . 0.53 ' HB3' ' HB2' ' B' ' 45' ' ' ASN . 29.2 tt0 -63.33 -39.04 93.47 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.042 -0.981 . . . . 65.22 110.212 174.443 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 49' ' ' LEU . . . . . 0.459 HD23 HG21 ' B' ' 44' ' ' THR . 3.1 tm? -66.5 -48.93 68.25 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 115.935 -0.575 . . . . 73.15 109.501 179.471 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 42.0 t80 -57.72 -43.67 85.41 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 116.481 -0.327 . . . . 74.53 110.487 176.27 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.67 -53.13 61.19 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.358 -0.383 . . . . 63.22 111.108 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -57.95 -49.51 76.53 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-N 116.141 -0.481 . . . . 74.31 110.451 -179.518 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . 0.531 ' HA3' HD12 ' A' ' 49' ' ' LEU . . . -59.88 -56.07 26.86 Favored Glycine 0 N--CA 1.447 -0.593 0 CA-C-N 115.277 -0.874 . . . . 73.22 112.1 179.704 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 54' ' ' TYR . . . . . 0.408 ' CE2' HG21 ' B' ' 128' ' ' THR . 2.3 t80 -54.43 -48.11 72.05 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 122.73 0.412 . . . . 73.14 111.025 -179.48 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 55' ' ' SER . . . . . 0.526 ' OG ' ' HB2' ' B' ' 81' ' ' ALA . 48.9 m -58.18 -50.11 74.68 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 110.268 -0.271 . . . . 71.55 110.268 -179.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 56' ' ' ALA . . . . . 0.552 ' HB1' HD21 ' A' ' 30' ' ' LEU . . . -58.77 -39.73 81.88 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-O 121.223 0.535 . . . . 72.32 110.569 176.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 57' ' ' CYS . . . . . 0.808 ' SG ' ' HB3' ' A' ' 46' ' ' PRO . 65.7 m -62.94 -36.23 82.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.356 -0.838 . . . . 72.4 109.976 178.482 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 30.5 t80 -61.89 -34.07 75.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.83 -0.623 . . . . 52.32 110.243 -177.511 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -67.05 -44.27 80.6 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.187 -0.46 . . . . 64.41 110.64 177.354 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 60' ' ' SER . . . . . 0.439 ' HB3' ' HB2' ' A' ' 32' ' ' ALA . 27.2 m -66.51 -40.92 89.47 Favored 'General case' 0 C--O 1.237 0.419 0 CA-C-O 121.272 0.558 . . . . 73.23 110.278 177.552 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . 0.446 ' O ' HG23 ' B' ' 65' ' ' VAL . . . -58.61 -45.74 88.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.662 -0.699 . . . . 44.1 109.778 177.468 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 62' ' ' MET . . . . . 0.528 ' HA ' ' HB ' ' B' ' 65' ' ' VAL . 30.1 mtp -72.84 -25.88 61.28 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.123 -0.49 . . . . 71.0 110.866 177.166 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 11.9 tppt? -59.77 -40.4 88.06 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 108.416 -0.957 . . . . 72.03 108.416 174.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 69.2 t80 -75.7 -48.46 21.86 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 115.192 -0.913 . . . . 73.11 111.183 174.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . 0.528 ' HB ' ' HA ' ' B' ' 62' ' ' MET . 41.0 t -54.68 -47.06 73.57 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.466 0 CA-C-O 120.934 0.397 . . . . 75.05 111.209 -177.166 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -58.0 -32.45 67.92 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.289 -0.414 . . . . 74.13 110.184 179.056 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -70.99 -25.41 75.83 Favored Glycine 0 C--N 1.332 0.336 0 CA-C-N 115.589 -0.732 . . . . 75.04 112.337 -178.534 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 68' ' ' GLN . . . . . 0.403 ' HG3' HD22 ' B' ' 69' ' ' ASN . 3.2 pt20 -98.81 -15.16 19.36 Favored 'General case' 0 C--N 1.332 -0.174 0 N-CA-C 109.624 -0.51 . . . . 64.5 109.624 178.607 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 69' ' ' ASN . . . . . 0.403 HD22 ' HG3' ' B' ' 68' ' ' GLN . 0.9 OUTLIER -94.89 -1.05 53.4 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 115.631 -0.713 . . . . 65.21 110.783 178.168 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 70' ' ' LYS . . . . . 0.444 ' HD3' ' N ' ' B' ' 70' ' ' LYS . 21.3 mmtm 65.18 22.44 12.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.507 -0.77 . . . . 73.12 110.85 174.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -114.57 165.13 13.1 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.926 -0.579 . . . . 74.24 110.256 -178.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 17.5 p -124.92 130.41 52.31 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.968 0.413 . . . . 74.12 110.577 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -109.38 142.93 26.72 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.009 -0.541 . . . . 75.15 110.754 178.179 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 74' ' ' PRO . . . . . 0.519 ' O ' HG22 ' B' ' 77' ' ' THR . 26.4 Cg_endo -61.38 150.75 83.56 Favored 'Trans proline' 0 C--N 1.348 0.522 0 C-N-CA 123.287 2.658 . . . . 62.01 112.293 177.789 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -77.2 -21.47 53.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.143 0.497 . . . . 71.53 110.421 174.529 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -80.97 5.29 16.76 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 115.543 -0.753 . . . . 60.22 111.553 -176.111 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 77' ' ' THR . . . . . 0.519 HG22 ' O ' ' B' ' 74' ' ' PRO . 10.3 t -79.39 142.23 36.16 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 120.864 0.364 . . . . 73.25 110.44 179.425 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 33.4 m -140.53 149.77 42.86 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.119 -0.491 . . . . 71.23 110.783 -176.155 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 77.6 t -126.93 125.68 67.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 N-CA-C 109.225 -0.658 . . . . 54.24 109.225 176.649 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 80' ' ' THR . . . . . 0.55 ' HA ' ' HA ' ' A' ' 10' ' ' THR . 22.3 m -110.83 115.27 29.23 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.327 -0.397 . . . . 72.42 110.594 -178.598 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 81' ' ' ALA . . . . . 0.526 ' HB2' ' OG ' ' B' ' 55' ' ' SER . . . -93.24 107.72 19.48 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.09 -0.505 . . . . 73.43 110.293 179.029 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -100.43 109.35 21.5 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.6 -0.518 . . . . 71.23 109.6 178.014 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 45.1 t -104.05 138.77 27.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 71.44 110.957 -173.338 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 84' ' ' GLY . . . . . 0.433 ' HA2' ' HA ' ' A' ' 6' ' ' LYS . . . -129.09 147.3 17.65 Favored Glycine 0 N--CA 1.44 -1.034 0 N-CA-C 111.075 -0.81 . . . . 52.45 111.075 173.706 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -124.66 129.75 73.6 Favored 'Isoleucine or valine' 0 C--O 1.244 0.789 0 N-CA-C 108.852 -0.795 . . . . 73.1 108.852 179.396 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 86' ' ' GLY . . . . . 0.478 ' HA2' ' HG ' ' A' ' 4' ' ' LEU . . . -148.56 169.9 29.09 Favored Glycine 0 N--CA 1.45 -0.406 0 N-CA-C 110.674 -0.97 . . . . 52.3 110.674 -178.318 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 87' ' ' PRO . . . . . 0.599 ' HD3' ' HG ' ' A' ' 4' ' ' LEU . 84.9 Cg_endo -81.66 152.52 17.36 Favored 'Trans proline' 0 N--CA 1.457 -0.635 0 C-N-CA 122.305 2.003 . . . . 61.3 111.253 -177.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 88' ' ' ASN . . . . . . . . . . . . . 37.0 p30 -114.79 161.73 17.8 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.721 -0.474 . . . . 72.3 109.721 175.696 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -69.38 -10.1 56.45 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.415 -0.357 . . . . 65.22 111.158 -178.063 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -69.25 -22.5 63.84 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.054 0.454 . . . . 74.05 110.096 172.121 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.16 2.79 45.06 Favored Glycine 0 C--N 1.33 0.222 0 CA-C-N 115.964 -0.562 . . . . 72.2 112.591 177.338 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . -113.01 -160.24 14.23 Favored Glycine 0 N--CA 1.452 -0.237 0 N-CA-C 111.56 -0.616 . . . . 70.13 111.56 178.202 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 93' ' ' PHE . . . . . . . . . . . . . 35.7 m-85 -97.83 158.09 15.71 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-O 121.056 0.455 . . . . 73.12 110.208 177.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -141.65 133.38 27.15 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.614 -0.721 . . . . 62.21 109.46 -177.11 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -99.75 134.99 41.84 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.88 -0.6 . . . . 74.21 110.478 -179.167 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 96' ' ' ASP . . . . . 0.425 ' HB3' HD11 ' A' ' 3' ' ' ILE . 11.6 t70 -133.03 110.1 10.0 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 115.088 -0.96 . . . . 73.53 108.699 178.099 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 97' ' ' VAL . . . . . 0.812 HG13 HG22 ' B' ' 134' ' ' VAL . 0.9 OUTLIER -120.8 119.78 60.53 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-O 121.662 0.744 . . . . 65.34 111.358 -175.244 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -92.69 112.56 24.56 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 114.881 -1.054 . . . . 74.42 108.983 178.404 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 99' ' ' LEU . . . . . 0.4 ' HB3' HD23 ' B' ' 136' ' ' LEU . 15.8 tp -93.84 108.23 20.04 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.185 -0.672 . . . . 61.12 109.185 -176.646 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 100' ' ' ARG . . . . . 0.575 ' HA ' ' O ' ' B' ' 137' ' ' VAL . 0.1 OUTLIER -99.13 111.09 23.57 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.532 -0.544 . . . . 64.11 109.532 -171.183 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 101' ' ' VAL . . . . . 0.433 HG11 HG22 ' B' ' 115' ' ' VAL . 74.1 t -100.95 114.6 40.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 60.12 111.197 -171.56 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -109.24 101.42 10.44 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 120.893 0.377 . . . . 53.32 110.661 177.288 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 103' ' ' LEU . . . . . 0.862 HD23 HD22 ' B' ' 106' ' ' LEU . 41.0 tp -111.26 115.64 52.09 Favored Pre-proline 0 C--N 1.329 -0.299 0 N-CA-C 108.249 -1.019 . . . . 72.24 108.249 174.411 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 104' ' ' PRO . . . . . 0.562 ' HD2' HD12 ' B' ' 103' ' ' LEU . 40.9 Cg_endo -70.6 142.6 44.63 Favored 'Trans proline' 0 N--CA 1.461 -0.407 0 C-N-CA 122.311 2.007 . . . . 74.24 112.835 -172.469 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 105' ' ' GLY . . . . . . . . . . . . . . . 79.68 -0.21 82.46 Favored Glycine 0 CA--C 1.519 0.339 0 CA-C-N 115.114 -0.948 . . . . 72.34 112.559 -177.47 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 106' ' ' LEU . . . . . 0.862 HD22 HD23 ' B' ' 103' ' ' LEU . 29.3 tp -103.03 136.77 42.23 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.288 0.566 . . . . 60.53 111.377 -176.335 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -77.86 153.72 32.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 114.987 -1.006 . . . . 63.12 110.608 176.542 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -68.51 -43.56 76.56 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.788 0.327 . . . . 34.32 111.088 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -57.54 -42.7 83.47 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 121.156 0.503 . . . . 64.51 110.7 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -74.67 -38.94 62.29 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 115.714 -0.676 . . . . 72.03 110.341 177.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 111' ' ' ALA . . . . . 0.447 ' HA ' HD21 ' B' ' 106' ' ' LEU . . . -56.55 -37.31 70.36 Favored 'General case' 0 CA--C 1.519 -0.222 0 CA-C-N 115.641 -0.709 . . . . 64.14 110.745 -179.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 112' ' ' LYS . . . . . . . . . . . . . 56.2 mmtt -50.97 -46.94 61.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.956 -0.566 . . . . 74.45 111.003 177.554 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 113' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -82.16 -36.27 27.55 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 116.423 -0.353 . . . . 72.03 111.172 -175.05 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 52.3 mt -66.83 -46.15 76.02 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 120.828 0.347 . . . . 70.23 110.332 -178.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 115' ' ' VAL . . . . . 0.433 HG22 HG11 ' B' ' 101' ' ' VAL . 86.9 t -64.16 -38.66 83.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.963 -0.562 . . . . 63.55 110.122 176.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -59.38 -53.65 55.7 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 116.414 -0.357 . . . . 75.43 110.779 -179.158 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 117' ' ' ARG . . . . . . . . . . . . . 7.2 ptm180 -67.98 -41.92 81.59 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 116.093 -0.503 . . . . 70.2 110.771 -176.656 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -62.29 -39.06 91.73 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 121.425 0.631 . . . . 61.11 109.966 177.562 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 119' ' ' HIS . . . . . 0.601 ' HD1' ' HD2' ' B' ' 129' ' ' ARG . 20.9 t-80 -83.99 6.85 20.4 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 115.38 -0.827 . . . . 74.31 110.619 179.423 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 15.3 t-80 -108.87 -37.78 5.77 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 116.254 -0.43 . . . . 61.52 111.087 177.49 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 34.8 m -85.11 -33.75 8.24 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.282 0 N-CA-C 112.047 0.388 . . . . 63.42 112.047 -176.304 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 122' ' ' CYS . . . . . . . . . . . . . 63.8 m -77.13 142.82 68.95 Favored Pre-proline 0 C--O 1.239 0.508 0 CA-C-N 116.707 -0.224 . . . . 74.53 111.567 -176.532 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 123' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_exo -58.51 165.94 6.97 Favored 'Trans proline' 0 C--N 1.356 0.928 0 C-N-CA 122.891 2.394 . . . . 65.25 111.479 174.472 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 124' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 70.36 -56.59 0.59 Allowed 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 123.249 0.62 . . . . 65.35 110.313 -174.127 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 125' ' ' SER . . . . . 0.525 ' HA ' HG22 ' B' ' 128' ' ' THR . 49.5 m -46.98 -45.42 20.91 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 123.576 0.751 . . . . 64.23 112.827 -177.127 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 126' ' ' ASN . . . . . . . . . . . . . 37.7 m-80 -59.21 -52.05 67.35 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-O 121.339 0.59 . . . . 74.24 110.374 179.124 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 127' ' ' ALA . . . . . 0.69 ' O ' ' HB3' ' B' ' 131' ' ' ASN . . . -64.49 -23.39 67.26 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.114 -0.948 . . . . 65.3 111.915 -179.163 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 128' ' ' THR . . . . . 0.588 ' HA ' ' HB ' ' B' ' 132' ' ' VAL . 1.3 t -98.3 -4.82 34.27 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-O 121.375 0.607 . . . . 55.14 109.497 -167.23 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 129' ' ' ARG . . . . . 0.601 ' HD2' ' HD1' ' B' ' 119' ' ' HIS . 17.7 ptm180 -114.65 -55.07 2.52 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-N 115.715 -0.675 . . . . 75.21 110.126 -178.235 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 130' ' ' ASN . . . . . 0.425 ' N ' ' HG3' ' B' ' 129' ' ' ARG . 88.4 m-20 -79.36 -25.85 42.17 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.869 -0.605 . . . . 74.14 111.699 -177.786 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 131' ' ' ASN . . . . . 0.69 ' HB3' ' O ' ' B' ' 127' ' ' ALA . 2.2 t-20 -104.45 -41.79 5.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.249 -0.432 . . . . 75.43 110.632 -178.008 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 132' ' ' VAL . . . . . 0.588 ' HB ' ' HA ' ' B' ' 128' ' ' THR . 46.4 t -112.29 157.8 12.93 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.411 0 CA-C-N 115.838 -0.619 . . . . 52.13 110.486 -173.374 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 133' ' ' ALA . . . . . . . . . . . . . . . -87.83 81.61 7.53 Favored 'General case' 0 C--O 1.239 0.544 0 CA-C-O 121.753 0.787 . . . . 72.23 112.456 -176.378 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 134' ' ' VAL . . . . . 0.812 HG22 HG13 ' B' ' 97' ' ' VAL . 90.7 t -110.69 118.57 57.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 114.764 -1.107 . . . . 61.1 109.606 168.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 5.6 tmm_? -90.69 107.57 19.26 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.348 -0.612 . . . . 74.32 109.348 177.696 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 136' ' ' LEU . . . . . 0.433 HD11 ' CG ' ' B' ' 119' ' ' HIS . 38.6 mt -72.26 109.18 5.83 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.028 -0.533 . . . . 72.41 110.411 179.724 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 137' ' ' VAL . . . . . 0.575 ' O ' ' HA ' ' B' ' 100' ' ' ARG . 0.2 OUTLIER -116.02 114.63 46.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 115.319 -0.855 . . . . 72.22 109.879 -179.912 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 138' ' ' VAL . . . . . . . . . . . . . 4.2 m -89.31 138.52 19.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 115.582 -0.735 . . . . 70.52 109.518 -177.616 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 139' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.312 -1.059 0 CA-C-N 115.177 -0.919 . . . . 71.35 111.689 -174.165 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.444 ' HE3' HD13 ' A' ' 3' ' ' ILE . 15.5 ptt? . . . . . 0 N--CA 1.484 1.262 0 CA-C-O 120.495 0.188 . . . . 71.43 110.512 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.516 ' O ' ' HD2' ' B' ' 87' ' ' PRO . 38.5 t30 -73.29 79.46 1.33 Allowed 'General case' 0 CA--C 1.532 0.281 0 CA-C-O 121.254 0.55 . . . . 75.52 110.362 175.805 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.541 HG21 ' HB2' ' A' ' 6' ' ' LYS . 31.7 mm -74.61 137.9 22.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.629 -0.714 . . . . 51.02 111.523 176.152 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.646 ' HG ' ' HD3' ' B' ' 87' ' ' PRO . 83.4 mt -93.42 -44.9 8.04 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.716 -0.675 . . . . 74.21 109.94 173.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 33.2 t80 -136.65 131.06 33.13 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.003 -0.544 . . . . 54.43 109.819 -178.497 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.541 ' HB2' HG21 ' A' ' 3' ' ' ILE . 30.0 ttmt -138.66 138.73 38.06 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.878 0.37 . . . . 62.42 110.363 177.506 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.469 HG21 ' HB2' ' B' ' 48' ' ' GLN . 11.1 t -142.37 146.54 35.06 Favored 'General case' 0 C--O 1.237 0.444 0 N-CA-C 109.124 -0.695 . . . . 73.02 109.124 -179.592 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.493 ' HA ' ' HA ' ' B' ' 82' ' ' GLU . . . -117.01 154.36 31.06 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 121.012 0.434 . . . . 64.34 111.643 -174.82 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.513 ' HA ' ' HA ' ' A' ' 21' ' ' SER . . . -138.76 121.07 15.94 Favored 'General case' 0 C--O 1.226 -0.169 0 CA-C-N 116.048 -0.524 . . . . 65.14 110.693 177.097 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 7.7 t -98.97 115.83 29.81 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.241 0.543 . . . . 73.43 109.828 178.259 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.551 ' HA ' ' O ' ' A' ' 18' ' ' ARG . 17.7 p -107.37 116.97 32.87 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.042 -0.526 . . . . 71.32 111.135 179.171 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.579 ' HA ' HG22 ' B' ' 78' ' ' THR . 2.4 m -82.58 155.0 24.7 Favored 'General case' 0 C--O 1.238 0.485 0 CA-C-N 115.553 -0.749 . . . . 72.12 110.592 178.828 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -89.61 74.82 1.89 Allowed Glycine 0 CA--C 1.521 0.455 0 C-N-CA 121.147 -0.549 . . . . 62.44 112.974 179.549 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -73.47 -132.16 0.2 Allowed Glycine 0 CA--C 1.525 0.707 0 C-N-CA 121.102 -0.57 . . . . 62.02 112.171 173.099 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.42 ' HB3' ' HB1' ' A' ' 39' ' ' ALA . 9.8 mmt180 -60.9 -55.7 29.84 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 117.144 0.472 . . . . 73.04 110.508 176.676 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.581 ' HB3' ' HA ' ' A' ' 31' ' ' SER . 30.1 t0 -125.99 -42.42 1.89 Allowed 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.206 -0.452 . . . . 74.22 109.917 176.395 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -170.69 152.5 18.83 Favored Glycine 0 N--CA 1.446 -0.697 0 C-N-CA 120.456 -0.878 . . . . 73.12 111.786 171.682 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.551 ' O ' ' HA ' ' A' ' 11' ' ' SER . 3.3 tmt_? -135.2 101.32 4.81 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 108.49 -0.93 . . . . 73.24 108.49 178.195 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -102.38 123.79 46.79 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.907 0.384 . . . . 71.12 111.448 -170.064 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 45.6 m -128.56 111.99 13.83 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.178 -0.465 . . . . 63.53 110.002 176.626 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.513 ' HA ' ' HA ' ' A' ' 9' ' ' ALA . 43.4 t -67.23 107.77 2.48 Favored 'General case' 0 C--O 1.246 0.915 0 N-CA-C 107.858 -1.164 . . . . 62.3 107.858 175.689 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.483 ' H ' ' HA ' ' A' ' 9' ' ' ALA . 36.9 t-80 -48.76 -32.78 9.12 Favored 'General case' 0 C--N 1.348 0.538 0 O-C-N 126.205 2.19 . . . . 71.44 112.887 -167.846 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.439 ' HB2' ' HG2' ' A' ' 25' ' ' LYS . 2.1 m-20 -79.98 25.61 0.36 Allowed 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 120.993 0.425 . . . . 73.43 110.037 -175.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.46 ' H ' ' C ' ' A' ' 22' ' ' HIS . 26.6 mm-40 62.83 21.03 12.57 Favored 'General case' 0 CA--C 1.517 -0.298 0 CA-C-N 115.337 -0.847 . . . . 72.53 109.847 178.233 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.465 ' HB2' ' CB ' ' A' ' 21' ' ' SER . 32.2 mmtp -74.62 -42.23 58.98 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-N 115.227 -0.897 . . . . 73.44 109.057 178.055 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.452 ' N ' ' HB3' ' A' ' 21' ' ' SER . 39.8 tp -150.59 149.63 30.15 Favored 'General case' 0 C--O 1.221 -0.43 0 C-N-CA 120.009 -0.677 . . . . 74.42 111.872 -172.749 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -152.03 105.83 3.12 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-O 121.44 0.638 . . . . 74.13 109.317 172.353 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 3.1 m -151.09 178.02 0.58 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.524 0 CA-C-N 115.613 -0.721 . . . . 62.12 111.386 177.768 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.521 ' HA ' ' HA ' ' A' ' 18' ' ' ARG . 24.0 tttt -133.31 145.73 50.69 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.165 -0.925 . . . . 62.42 109.851 177.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.67 ' HB3' ' HB ' ' A' ' 44' ' ' THR . 0.0 OUTLIER -125.23 152.3 44.76 Favored 'General case' 0 C--O 1.247 0.931 0 CA-C-O 121.139 0.495 . . . . 64.12 109.979 174.316 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.581 ' HA ' ' HB3' ' A' ' 16' ' ' ASP . 73.1 m -168.04 101.58 0.46 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.051 -0.977 . . . . 75.34 109.607 -172.555 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.57 127.19 93.37 Favored Pre-proline 0 N--CA 1.447 -0.624 0 N-CA-C 109.622 -0.51 . . . . 52.21 109.622 178.192 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 5.5 Cg_endo -48.71 140.66 22.16 Favored 'Trans proline' 0 N--CA 1.461 -0.437 0 C-N-CA 122.363 2.042 . . . . 73.33 110.877 174.473 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.659 HH11 ' HA2' ' A' ' 37' ' ' GLY . 0.0 OUTLIER -43.39 -82.34 0.01 OUTLIER 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 123.461 0.705 . . . . 50.12 111.985 -175.516 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 46.39 -72.99 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.386 0 O-C-N 124.319 1.012 . . . . 75.14 113.569 179.559 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.556 ' N ' ' O ' ' A' ' 34' ' ' ARG . 7.1 mp -87.56 -47.85 8.39 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.859 0.838 . . . . 63.44 108.739 -177.335 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.659 ' HA2' HH11 ' A' ' 34' ' ' ARG . . . 166.84 39.12 0.02 OUTLIER Glycine 0 N--CA 1.44 -1.075 0 CA-C-N 114.183 -1.371 . . . . 72.22 110.606 -178.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -79.99 -134.84 1.29 Allowed Glycine 0 N--CA 1.444 -0.795 0 C-N-CA 120.313 -0.946 . . . . 73.44 112.424 -176.243 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.42 ' HB1' ' HB3' ' A' ' 15' ' ' ARG . . . -115.3 -8.74 12.28 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-O 120.833 0.349 . . . . 63.22 111.009 -175.653 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.461 ' HA2' ' H ' ' A' ' 34' ' ' ARG . . . 66.04 69.8 1.26 Allowed Glycine 0 C--N 1.331 0.294 0 CA-C-N 115.661 -0.699 . . . . 45.53 112.355 179.556 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -163.16 173.18 13.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.656 0.265 . . . . 44.21 110.357 -179.78 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -99.93 35.03 2.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.12 -0.491 . . . . 71.23 110.48 -179.005 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -82.06 -163.35 32.13 Favored Glycine 0 C--N 1.332 0.306 0 C-N-CA 121.19 -0.529 . . . . 55.55 112.079 -179.048 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.67 ' HB ' ' HB3' ' A' ' 30' ' ' LEU . 44.8 m -93.64 152.89 18.69 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.584 -0.525 . . . . 74.01 109.584 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -92.19 117.86 67.87 Favored Pre-proline 0 C--N 1.328 -0.368 0 N-CA-C 109.115 -0.698 . . . . 72.33 109.115 176.79 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.407 ' HB3' ' HB3' ' B' ' 57' ' ' CYS . 71.5 Cg_exo -43.31 -50.36 6.7 Favored 'Trans proline' 0 CA--C 1.536 0.606 0 C-N-CA 123.174 2.583 . . . . 63.04 113.154 178.64 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -59.09 -41.99 89.37 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-O 121.27 0.557 . . . . 62.13 110.55 -179.752 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -65.07 -37.82 88.8 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.657 -0.701 . . . . 72.35 110.026 178.706 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.515 HD12 ' HA3' ' B' ' 53' ' ' GLY . 2.7 tm? -62.74 -45.5 92.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.8 -0.636 . . . . 71.11 109.605 -179.793 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 63.8 t80 -64.45 -43.25 94.85 Favored 'General case' 0 C--O 1.224 -0.252 0 CA-C-N 115.994 -0.548 . . . . 64.45 110.67 177.281 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.613 ' HB2' HG11 ' A' ' 83' ' ' VAL . . . -57.17 -52.99 63.1 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.23 -0.441 . . . . 52.03 111.324 177.743 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.457 ' HB1' ' HB1' ' B' ' 19' ' ' ALA . . . -63.36 -42.91 98.9 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.084 -0.507 . . . . 51.43 110.405 -178.76 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.468 ' HA3' HD12 ' B' ' 49' ' ' LEU . . . -63.72 -44.41 96.37 Favored Glycine 0 C--O 1.224 -0.531 0 CA-C-N 115.609 -0.723 . . . . 45.35 112.402 178.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -65.06 -40.86 95.3 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 110.158 -0.312 . . . . 71.4 110.158 -179.641 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.424 ' OG ' ' HB2' ' A' ' 81' ' ' ALA . 49.7 m -62.71 -49.0 76.8 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.447 -0.342 . . . . 50.31 110.124 178.063 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.591 ' HB1' HD21 ' B' ' 30' ' ' LEU . . . -59.54 -47.56 85.05 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-O 121.095 0.474 . . . . 72.41 110.41 177.804 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 81.3 m -55.73 -36.27 67.06 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.456 -0.793 . . . . 74.4 110.628 175.758 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 10.9 t80 -60.59 -40.66 92.58 Favored 'General case' 0 CA--C 1.53 0.186 0 N-CA-C 109.744 -0.465 . . . . 64.12 109.744 -179.196 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.424 ' O ' ' HG3' ' A' ' 63' ' ' LYS . 4.0 mm? -68.29 -51.69 42.0 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.039 -0.528 . . . . 74.12 110.645 177.3 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 37.7 m -56.34 -42.07 77.1 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-O 120.856 0.36 . . . . 74.4 110.969 -179.29 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.19 -44.15 80.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 64.15 110.195 178.478 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . 0.643 ' HG3' HD11 ' A' ' 73' ' ' LEU . 4.3 tpt -59.82 -32.07 70.31 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 115.592 -0.731 . . . . 61.32 110.093 177.642 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.424 ' HG3' ' O ' ' A' ' 59' ' ' LEU . 98.7 mttt -70.79 -48.99 51.29 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 116.26 -0.427 . . . . 62.32 110.49 177.344 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 71.0 t80 -55.37 -41.55 72.75 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 121.248 0.547 . . . . 70.35 109.947 177.318 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 49.2 t -62.83 -47.42 92.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.577 -0.738 . . . . 51.41 110.382 175.188 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -56.19 -34.56 66.36 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.979 -0.555 . . . . 55.45 110.753 -179.658 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -68.64 -31.56 73.59 Favored Glycine 0 N--CA 1.453 -0.182 0 CA-C-N 115.3 -0.864 . . . . 65.01 112.347 -176.257 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -96.69 -15.76 21.28 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.525 -0.546 . . . . 73.33 109.525 -178.55 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 13.7 m-80 -94.17 -1.11 54.69 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.525 -0.762 . . . . 73.35 110.726 176.719 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 20.9 mmtm 62.34 24.55 14.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.467 -0.788 . . . . 70.5 110.81 172.654 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -109.97 168.22 9.58 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.628 -0.714 . . . . 65.11 109.675 177.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 29.7 p -123.51 142.33 51.12 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.983 0.42 . . . . 71.13 110.841 -178.16 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.643 HD11 ' HG3' ' A' ' 62' ' ' MET . 96.2 mt -109.31 138.16 20.42 Favored Pre-proline 0 C--N 1.324 -0.513 0 CA-C-N 115.806 -0.634 . . . . 63.13 110.31 178.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.487 ' O ' HG22 ' A' ' 77' ' ' THR . 30.6 Cg_endo -64.88 139.07 60.57 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.611 2.207 . . . . 75.32 111.44 175.112 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -76.89 -10.15 59.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.206 0.527 . . . . 74.43 111.219 -179.134 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -89.89 5.23 47.23 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.596 -0.729 . . . . 72.44 111.442 -176.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.487 HG22 ' O ' ' A' ' 74' ' ' PRO . 9.7 t -78.64 146.51 34.05 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.2 -0.454 . . . . 73.42 111.265 -177.439 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 75.6 m -148.13 149.68 32.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.282 0.563 . . . . 65.01 110.554 -179.037 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 56.4 t -125.03 121.56 61.25 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-N 115.298 -0.865 . . . . 73.54 108.896 178.22 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 10.0 m -98.21 115.36 28.18 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.457 -0.338 . . . . 61.0 110.333 -179.042 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.526 ' HB1' ' HB1' ' A' ' 51' ' ' ALA . . . -96.03 104.63 16.59 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.87 -0.604 . . . . 75.0 110.622 179.43 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -98.28 110.09 22.74 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.337 -0.616 . . . . 74.0 109.337 176.117 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.613 HG11 ' HB2' ' A' ' 51' ' ' ALA . 16.7 m -114.2 135.59 53.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 121.391 0.615 . . . . 74.25 111.432 -178.126 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.411 ' HA2' ' HA ' ' B' ' 6' ' ' LYS . . . -136.36 162.66 25.12 Favored Glycine 0 N--CA 1.442 -0.944 0 CA-C-N 115.227 -0.897 . . . . 64.22 111.322 177.596 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -138.57 131.93 40.19 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 N-CA-C 109.257 -0.646 . . . . 71.32 109.257 -177.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -149.39 169.77 29.67 Favored Glycine 0 CA--C 1.517 0.181 0 O-C-N 124.143 0.902 . . . . 64.2 111.355 -179.63 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.707 ' HD3' ' HG ' ' B' ' 4' ' ' LEU . 4.7 Cg_exo -72.69 125.07 10.24 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.789 2.326 . . . . 75.13 111.719 -177.59 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . 0.474 ' HB2' ' HB2' ' A' ' 94' ' ' ALA . 25.2 t-20 -73.57 158.6 34.53 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.336 -0.616 . . . . 63.43 109.336 176.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -61.12 -23.95 65.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.787 0.327 . . . . 74.31 111.063 -177.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -69.65 -21.83 63.5 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-O 121.426 0.631 . . . . 62.35 110.587 177.001 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.31 6.61 41.63 Favored Glycine 0 N--CA 1.452 -0.282 0 CA-C-N 115.521 -0.763 . . . . 52.42 111.786 -176.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -97.12 -150.04 26.24 Favored Glycine 0 N--CA 1.45 -0.401 0 N-CA-C 110.854 -0.898 . . . . 74.12 110.854 177.535 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 32.9 m-85 -112.22 150.71 30.51 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 117.0 0.4 . . . . 72.25 110.023 175.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.474 ' HB2' ' HB2' ' A' ' 88' ' ' ASN . . . -139.31 136.65 35.07 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.811 -0.631 . . . . 73.43 109.821 -179.07 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -99.73 127.3 45.87 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.963 -0.562 . . . . 75.45 111.006 -177.53 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -110.01 110.89 21.95 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.122 -0.944 . . . . 62.1 108.793 177.538 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.561 HG22 HG12 ' A' ' 83' ' ' VAL . 49.0 t -119.73 110.82 30.42 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.86 0 CA-C-N 116.017 -0.538 . . . . 41.42 110.813 -175.005 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -101.47 113.37 26.41 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.136 -0.691 . . . . 51.52 109.136 175.625 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 13.6 tp -105.46 108.3 19.75 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.556 -0.535 . . . . 73.33 109.556 -174.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.547 ' HA ' ' O ' ' A' ' 137' ' ' VAL . 41.7 ttt180 -99.15 112.5 24.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.46 . . . . 73.43 109.84 -176.148 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 48.6 t -100.67 99.54 8.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.582 -0.281 . . . . 72.23 110.407 -172.789 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -93.14 101.58 13.88 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-O 120.968 0.414 . . . . 73.1 110.344 179.608 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.949 HD23 HD22 ' A' ' 106' ' ' LEU . 30.5 tp -114.7 111.59 45.88 Favored Pre-proline 0 C--N 1.326 -0.447 0 N-CA-C 108.304 -0.999 . . . . 73.31 108.304 176.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . 0.537 ' HD2' HD12 ' A' ' 103' ' ' LEU . 60.4 Cg_endo -73.12 148.5 44.59 Favored 'Trans proline' 0 N--CA 1.462 -0.358 0 C-N-CA 122.718 2.278 . . . . 73.52 112.868 -171.789 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 72.33 15.27 77.02 Favored Glycine 0 CA--C 1.519 0.333 0 CA-C-N 115.545 -0.752 . . . . 54.45 112.503 -178.194 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.949 HD22 HD23 ' A' ' 103' ' ' LEU . 22.7 tp -115.77 143.68 45.05 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 122.579 0.352 . . . . 65.03 110.759 -175.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -75.9 163.41 27.23 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 116.132 -0.485 . . . . 72.42 110.808 178.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -68.62 -44.57 73.97 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.309 -0.859 . . . . 74.35 109.833 171.179 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -62.43 -48.92 77.56 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 115.316 -0.856 . . . . 64.13 110.369 -177.062 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.524 ' O ' ' HG ' ' A' ' 114' ' ' LEU . . . -68.64 -41.42 79.44 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.94 -0.573 . . . . 73.25 110.035 179.663 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . 0.534 ' HA ' HD21 ' A' ' 106' ' ' LEU . . . -54.46 -44.94 73.0 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.175 -0.466 . . . . 54.13 111.503 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 59.0 mmtt -51.62 -47.84 63.52 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.251 -0.431 . . . . 74.23 110.975 177.568 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . 0.502 HG22 ' O ' ' A' ' 110' ' ' ALA . 1.2 t -76.65 -34.96 58.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.471 -0.331 . . . . 74.22 111.27 -174.127 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.524 ' HG ' ' O ' ' A' ' 110' ' ' ALA . 42.0 mt -64.56 -51.8 60.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.782 0.325 . . . . 61.01 110.351 -179.113 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 59.2 t -63.5 -34.62 68.58 Favored 'Isoleucine or valine' 0 C--O 1.24 0.602 0 CA-C-O 121.376 0.608 . . . . 72.22 109.626 178.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . 0.65 ' HA ' ' CD2' ' A' ' 119' ' ' HIS . 24.2 t70 -64.45 -58.72 5.65 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-N 115.636 -0.711 . . . . 63.5 110.694 -179.38 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . 0.438 ' O ' HG22 ' A' ' 121' ' ' VAL . 10.4 ptm180 -60.33 -32.76 71.55 Favored 'General case' 0 N--CA 1.455 -0.188 0 CA-C-N 116.186 -0.461 . . . . 65.24 109.957 -178.69 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -59.17 -56.3 23.99 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-N 115.577 -0.738 . . . . 63.41 110.966 177.13 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . 0.65 ' CD2' ' HA ' ' A' ' 116' ' ' ASP . 16.7 p80 -72.29 -13.58 61.54 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 120.83 0.348 . . . . 74.13 110.565 179.732 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 11.8 t60 -76.23 -51.54 11.87 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.755 -0.657 . . . . 75.14 110.342 -178.546 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.438 HG22 ' O ' ' A' ' 117' ' ' ARG . 25.8 m -100.21 -18.4 6.35 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.325 0 N-CA-C 112.236 0.458 . . . . 74.54 112.236 -174.568 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 47.3 t -121.82 82.71 42.47 Favored Pre-proline 0 N--CA 1.465 0.317 0 CA-C-O 121.023 0.44 . . . . 72.12 110.902 -178.475 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_endo -99.68 134.74 0.23 Allowed 'Trans proline' 0 N--CA 1.453 -0.872 0 C-N-CA 123.198 2.599 . . . . 74.45 112.525 175.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -65.98 -20.72 66.29 Favored 'General case' 0 N--CA 1.468 0.471 0 N-CA-C 108.463 -0.94 . . . . 65.44 108.463 170.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . 0.62 ' O ' HG22 ' A' ' 128' ' ' THR . 29.8 t -176.59 145.67 0.56 Allowed 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 113.647 -1.615 . . . . 62.44 106.894 174.689 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' ASN . . . . . 0.7 ' HB3' HD21 ' B' ' 131' ' ' ASN . 49.0 t30 -59.69 -31.4 69.54 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.801 0.81 . . . . 73.42 109.021 176.849 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . 0.614 ' HB3' ' HB1' ' B' ' 127' ' ' ALA . . . -84.44 5.2 28.21 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 114.716 -1.129 . . . . 54.1 112.322 -176.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . 0.62 HG22 ' O ' ' A' ' 125' ' ' SER . 2.2 t -94.89 -7.31 40.47 Favored 'General case' 0 N--CA 1.467 0.397 0 N-CA-C 109.299 -0.63 . . . . 73.21 109.299 -178.763 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 35.5 ptt180 -121.65 -52.78 2.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.029 -0.987 . . . . 72.04 110.54 -175.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 88.9 m-20 -78.83 -34.23 45.4 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.748 -0.66 . . . . 71.52 111.697 -177.102 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . 0.566 ' HB3' ' O ' ' A' ' 127' ' ' ALA . 23.1 t-20 -88.23 -42.78 12.06 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 120.882 0.372 . . . . 72.12 110.483 -178.494 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 59.5 t -88.5 127.85 41.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.101 -0.5 . . . . 70.22 110.019 179.327 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -73.57 85.6 1.57 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.617 0.723 . . . . 45.42 111.113 -177.612 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . 0.526 ' HA ' ' O ' ' A' ' 97' ' ' VAL . 42.3 t -102.14 118.44 48.98 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.634 0 CA-C-N 115.052 -0.976 . . . . 75.02 110.561 176.343 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 19.2 mtm180 -90.13 108.61 19.84 Favored 'General case' 0 C--O 1.234 0.264 0 N-CA-C 109.352 -0.61 . . . . 72.41 109.352 175.259 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 72.1 mt -82.18 108.84 15.96 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.362 0.601 . . . . 50.04 111.004 -179.504 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . 0.547 ' O ' ' HA ' ' A' ' 100' ' ' ARG . 0.2 OUTLIER -116.38 116.73 53.18 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-N 115.037 -0.983 . . . . 74.42 109.637 -179.378 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 4.0 m -89.96 138.99 18.25 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-O 121.251 0.548 . . . . 53.11 110.299 -177.556 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.315 -0.921 0 CA-C-N 115.558 -0.746 . . . . 73.13 110.763 -175.978 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 17.2 ptt? . . . . . 0 C--O 1.233 0.195 0 CA-C-O 120.74 0.305 . . . . 72.42 110.625 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 43.6 t30 -78.2 74.0 4.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.268 0.556 . . . . 61.35 110.806 179.276 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . 0.546 HG21 ' HB2' ' B' ' 6' ' ' LYS . 33.1 mm -67.08 127.54 28.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 115.703 -0.681 . . . . 72.42 111.236 174.747 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.707 ' HG ' ' HD3' ' A' ' 87' ' ' PRO . 87.5 mt -84.78 -45.33 12.47 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.565 -0.743 . . . . 75.25 109.98 175.392 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' TYR . . . . . . . . . . . . . 25.5 t80 -138.81 131.31 28.77 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.201 -0.454 . . . . 75.45 110.322 -178.16 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . 0.546 ' HB2' HG21 ' B' ' 3' ' ' ILE . 30.6 ttmt -139.51 141.14 37.33 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-O 121.27 0.557 . . . . 65.01 111.846 177.297 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 7.8 t -142.48 145.47 33.74 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-N 115.251 -0.886 . . . . 72.52 108.964 178.194 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -118.5 148.49 42.55 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-O 120.766 0.317 . . . . 64.22 111.079 -176.299 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . 0.601 ' HA ' ' H ' ' B' ' 22' ' ' HIS . . . -137.16 136.05 37.88 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.22 -0.445 . . . . 31.45 110.338 -179.37 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . 0.507 HG23 ' HB ' ' B' ' 20' ' ' THR . 7.8 t -98.79 127.2 44.64 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.639 -0.504 . . . . 64.31 109.639 177.532 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 42.1 t -122.77 113.01 18.6 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.429 -0.351 . . . . 74.14 110.372 -177.704 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 17.3 m -100.94 161.46 13.58 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 110.171 -0.307 . . . . 53.42 110.171 -179.237 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -99.22 49.52 1.22 Allowed Glycine 0 N--CA 1.45 -0.373 0 N-CA-C 111.448 -0.661 . . . . 71.12 111.448 176.627 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -40.98 -99.09 0.01 OUTLIER Glycine 0 C--N 1.344 1.008 0 O-C-N 124.329 0.664 . . . . 73.4 114.49 -172.521 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 22.7 mmm180 -84.94 -55.06 4.26 Favored 'General case' 0 N--CA 1.465 0.283 0 O-C-N 122.266 -0.549 . . . . 65.14 109.797 177.449 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 16' ' ' ASP . . . . . 0.407 ' HB3' ' HA ' ' B' ' 31' ' ' SER . 9.8 t70 -122.8 -43.43 2.25 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 108.611 -0.885 . . . . 65.33 108.611 171.218 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 17' ' ' GLY . . . . . 0.514 ' O ' ' HG3' ' B' ' 29' ' ' LYS . . . -164.01 165.02 36.86 Favored Glycine 0 N--CA 1.446 -0.635 0 N-CA-C 111.24 -0.744 . . . . 74.22 111.24 166.819 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 18' ' ' ARG . . . . . 0.592 ' HA ' ' HA ' ' B' ' 29' ' ' LYS . 24.7 ttm180 -147.86 143.33 27.36 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 109.716 -0.476 . . . . 74.4 109.716 179.386 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 19' ' ' ALA . . . . . 0.457 ' HB1' ' HB1' ' A' ' 52' ' ' ALA . . . -134.02 123.71 25.01 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.666 -0.494 . . . . 64.21 109.666 -179.861 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 20' ' ' THR . . . . . 0.507 ' HB ' HG23 ' B' ' 10' ' ' THR . 33.4 m -133.67 115.31 14.47 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.28 -0.418 . . . . 75.11 110.515 -177.257 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 21' ' ' SER . . . . . 0.492 ' HB3' ' N ' ' B' ' 26' ' ' LEU . 32.2 t -72.62 107.15 4.96 Favored 'General case' 0 C--O 1.244 0.809 0 N-CA-C 106.976 -1.49 . . . . 74.21 106.976 174.743 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 22' ' ' HIS . . . . . 0.601 ' H ' ' HA ' ' B' ' 9' ' ' ALA . 0.0 OUTLIER -55.41 -20.43 12.2 Favored 'General case' 0 N--CA 1.469 0.492 0 O-C-N 125.345 1.653 . . . . 73.12 112.249 -165.933 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . 0.523 ' HB2' ' HE2' ' B' ' 25' ' ' LYS . 3.4 m-20 -80.32 18.63 0.86 Allowed 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.583 -0.525 . . . . 63.54 109.583 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . 0.424 ' H ' ' C ' ' B' ' 22' ' ' HIS . 27.1 mm-40 64.16 20.39 12.16 Favored 'General case' 0 C--N 1.342 0.26 0 CA-C-N 115.386 -0.824 . . . . 71.43 110.131 -179.426 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.523 ' HE2' ' HB2' ' B' ' 23' ' ' ASP . 51.2 mtmt -84.65 -24.79 28.89 Favored 'General case' 0 N--CA 1.455 -0.202 0 CA-C-N 115.458 -0.792 . . . . 41.25 110.835 179.566 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . 0.492 ' N ' ' HB3' ' B' ' 21' ' ' SER . 53.2 tp -151.31 145.39 25.29 Favored 'General case' 0 C--O 1.222 -0.382 0 C-N-CA 120.604 -0.438 . . . . 71.52 110.986 178.732 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -158.09 95.3 1.37 Allowed 'General case' 0 C--O 1.235 0.319 0 O-C-N 123.645 0.591 . . . . 53.33 109.588 174.193 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 5.2 m -142.31 175.78 4.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 121.323 0.582 . . . . 74.12 111.383 178.739 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.592 ' HA ' ' HA ' ' B' ' 18' ' ' ARG . 3.0 ttpm? -127.82 141.03 51.68 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.17 -0.923 . . . . 64.31 109.884 -178.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . 0.655 ' HA ' ' H ' ' B' ' 44' ' ' THR . 0.0 OUTLIER -123.64 166.11 16.05 Favored 'General case' 0 C--O 1.252 1.222 0 CA-C-N 116.28 -0.418 . . . . 72.32 110.023 178.078 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . 0.444 ' OG ' ' HB3' ' B' ' 41' ' ' ALA . 24.4 m -154.26 131.32 11.0 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.778 -0.646 . . . . 62.35 111.06 -174.339 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -66.32 134.1 94.59 Favored Pre-proline 0 C--O 1.236 0.355 0 N-CA-C 109.518 -0.549 . . . . 75.13 109.518 173.39 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 33' ' ' PRO . . . . . 0.519 ' HG2' HD12 ' B' ' 36' ' ' LEU . 11.9 Cg_endo -55.85 118.93 5.78 Favored 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 122.363 2.042 . . . . 71.3 111.811 -176.828 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 34' ' ' ARG . . . . . 0.488 ' HG2' ' CA ' ' B' ' 40' ' ' GLY . 0.1 OUTLIER -52.94 -24.54 9.54 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 115.962 -0.563 . . . . 71.43 110.263 -179.903 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -45.49 -39.79 7.69 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 115.046 -0.979 . . . . 72.42 111.755 178.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.602 HD13 HD12 ' B' ' 85' ' ' ILE . 24.0 mt -98.84 17.13 20.21 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.331 -0.849 . . . . 63.52 111.035 -170.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 78.87 43.98 10.67 Favored Glycine 0 N--CA 1.449 -0.436 0 CA-C-N 115.769 -0.651 . . . . 51.22 112.099 -179.616 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -91.41 -135.67 6.68 Favored Glycine 0 N--CA 1.446 -0.664 0 C-N-CA 120.719 -0.753 . . . . 64.12 111.382 179.191 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -105.47 -51.75 2.95 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.779 0.323 . . . . 71.25 110.662 -178.278 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 40' ' ' GLY . . . . . 0.488 ' CA ' ' HG2' ' B' ' 34' ' ' ARG . . . 97.47 102.59 2.16 Favored Glycine 0 C--N 1.331 0.29 0 C-N-CA 121.29 -0.481 . . . . 53.13 112.575 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . 0.444 ' HB3' ' OG ' ' B' ' 31' ' ' SER . . . -160.28 165.63 31.0 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 110.222 -0.288 . . . . 45.11 110.222 175.809 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -80.04 74.47 6.82 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-O 121.779 0.8 . . . . 74.14 110.761 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -134.57 -173.48 13.14 Favored Glycine 0 N--CA 1.45 -0.424 0 CA-C-N 114.894 -1.048 . . . . 72.12 111.892 176.772 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 44' ' ' THR . . . . . 0.655 ' H ' ' HA ' ' B' ' 30' ' ' LEU . 24.8 m -101.1 150.77 22.58 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 110.329 -0.249 . . . . 35.03 110.329 -179.219 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 45' ' ' ASN . . . . . 0.407 ' HB2' ' HB3' ' B' ' 48' ' ' GLN . 15.9 m120 -59.52 116.48 16.66 Favored Pre-proline 0 CA--C 1.53 0.206 0 O-C-N 123.278 0.361 . . . . 71.14 110.348 175.708 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 46' ' ' PRO . . . . . . . . . . . . . 8.6 Cg_endo -52.11 -39.43 70.69 Favored 'Trans proline' 0 C--O 1.241 0.668 0 C-N-CA 122.484 2.122 . . . . 54.41 111.528 174.019 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -55.88 -49.12 74.25 Favored 'General case' 0 C--O 1.238 0.459 0 N-CA-C 108.633 -0.877 . . . . 73.03 108.633 175.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . 0.485 ' NE2' ' HB2' ' A' ' 9' ' ' ALA . 18.4 tp60 -67.48 -31.18 71.15 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 114.308 -1.315 . . . . 65.22 110.867 -179.197 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 49' ' ' LEU . . . . . 0.468 HD12 ' HA3' ' A' ' 53' ' ' GLY . 2.7 tm? -62.84 -51.23 67.81 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.143 -0.688 . . . . 73.15 109.143 -179.204 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 50.7 t80 -61.88 -44.1 97.51 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.157 -0.474 . . . . 74.53 110.513 175.439 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -53.18 -52.03 60.13 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 116.216 -0.447 . . . . 63.22 111.569 178.519 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -66.29 -46.03 78.38 Favored 'General case' 0 C--O 1.238 0.479 0 CA-C-O 121.193 0.521 . . . . 74.31 110.823 -177.145 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . 0.515 ' HA3' HD12 ' A' ' 49' ' ' LEU . . . -61.45 -35.48 91.1 Favored Glycine 0 N--CA 1.449 -0.485 0 CA-C-N 115.678 -0.692 . . . . 73.22 111.803 178.118 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 54' ' ' TYR . . . . . 0.827 ' HA ' ' SG ' ' B' ' 57' ' ' CYS . 2.9 t80 -75.13 -43.34 53.16 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 122.213 0.205 . . . . 73.14 110.702 -179.004 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 55' ' ' SER . . . . . 0.613 ' HB3' ' HB2' ' B' ' 81' ' ' ALA . 58.0 p -62.93 -39.58 95.02 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.869 -0.419 . . . . 71.55 109.869 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 56' ' ' ALA . . . . . 0.531 ' HB1' HD21 ' A' ' 30' ' ' LEU . . . -70.18 -49.26 52.17 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 115.813 -0.631 . . . . 72.32 111.006 177.221 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 57' ' ' CYS . . . . . 0.827 ' SG ' ' HA ' ' B' ' 54' ' ' TYR . 18.9 p -60.28 -36.19 77.27 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 120.897 0.38 . . . . 72.4 110.237 -179.596 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 52.1 t80 -54.96 -32.84 61.85 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 115.924 -0.58 . . . . 52.32 110.217 -179.159 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -68.08 -44.42 76.29 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.301 -0.629 . . . . 64.41 109.301 177.579 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 60' ' ' SER . . . . . 0.475 ' HA ' ' HE2' ' B' ' 63' ' ' LYS . 3.8 m -62.0 -46.23 90.12 Favored 'General case' 0 C--O 1.242 0.672 0 CA-C-O 121.728 0.775 . . . . 73.23 110.139 177.36 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . 0.545 ' HB1' ' SG ' ' B' ' 122' ' ' CYS . . . -57.91 -48.26 80.4 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 115.12 -0.945 . . . . 44.1 110.145 178.659 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 62' ' ' MET . . . . . 0.534 ' HA ' ' HB ' ' B' ' 65' ' ' VAL . 18.8 mtp -69.08 -26.79 65.12 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.388 -0.369 . . . . 71.0 110.972 178.615 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . 0.475 ' HE2' ' HA ' ' B' ' 60' ' ' SER . 16.3 ttmm -60.36 -45.94 91.71 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 108.754 -0.832 . . . . 72.03 108.754 175.658 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 48.9 t80 -71.28 -46.37 61.01 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 115.303 -0.862 . . . . 73.11 110.895 176.158 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . 0.534 ' HB ' ' HA ' ' B' ' 62' ' ' MET . 41.1 t -57.51 -45.34 85.93 Favored 'Isoleucine or valine' 0 C--O 1.236 0.383 0 CA-C-N 115.836 -0.62 . . . . 75.05 111.42 -176.829 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 66' ' ' ALA . . . . . 0.42 ' HA ' ' HG3' ' B' ' 71' ' ' GLN . . . -56.05 -33.44 64.99 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.105 0.479 . . . . 74.13 110.508 179.815 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -70.59 -32.27 67.6 Favored Glycine 0 N--CA 1.452 -0.258 0 CA-C-N 115.429 -0.805 . . . . 75.04 112.453 -177.16 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 12.8 pt20 -95.47 -13.95 24.13 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.122 0.487 . . . . 64.5 109.704 -178.151 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 69' ' ' ASN . . . . . 0.482 ' ND2' HG13 ' B' ' 65' ' ' VAL . 17.6 m-80 -97.94 5.24 49.13 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.545 -0.752 . . . . 65.21 111.69 178.815 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 64.58 26.23 13.25 Favored 'General case' 0 N--CA 1.47 0.525 0 CA-C-N 115.862 -0.608 . . . . 73.12 111.521 172.769 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . 0.42 ' HG3' ' HA ' ' B' ' 66' ' ' ALA . 2.7 pt20 -122.08 166.7 14.11 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.003 -0.544 . . . . 74.24 110.441 -178.762 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 28.1 p -125.97 139.48 53.41 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.011 -0.54 . . . . 74.12 110.135 -179.635 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 94.4 mt -109.7 137.9 20.51 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.4 -0.363 . . . . 75.15 110.892 179.688 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 74' ' ' PRO . . . . . 0.714 ' HD2' HD11 ' B' ' 103' ' ' LEU . 22.8 Cg_exo -66.79 142.75 64.52 Favored 'Trans proline' 0 C--N 1.349 0.605 0 C-N-CA 122.767 2.311 . . . . 62.01 111.973 172.566 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -74.67 -24.33 58.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.429 0.633 . . . . 71.53 111.706 -178.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -80.8 23.98 0.51 Allowed 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.33 -0.85 . . . . 60.22 111.692 -171.477 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 77' ' ' THR . . . . . 0.515 ' HB ' HD12 ' B' ' 103' ' ' LEU . 9.7 t -89.58 173.12 8.49 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 112.669 0.618 . . . . 73.25 112.669 -174.673 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 78' ' ' THR . . . . . 0.579 HG22 ' HA ' ' A' ' 12' ' ' THR . 0.9 OUTLIER -153.48 149.34 27.61 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 114.939 -1.028 . . . . 71.23 109.855 179.891 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 78.3 t -135.83 124.49 38.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 N-CA-C 109.559 -0.534 . . . . 54.24 109.559 177.234 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 80' ' ' THR . . . . . 0.529 ' HB ' ' HB3' ' B' ' 100' ' ' ARG . 27.3 m -111.03 113.85 26.7 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 120.801 0.334 . . . . 72.42 111.239 -176.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 81' ' ' ALA . . . . . 0.613 ' HB2' ' HB3' ' B' ' 55' ' ' SER . . . -93.23 108.61 20.2 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.821 0.343 . . . . 73.43 110.176 177.06 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 82' ' ' GLU . . . . . 0.493 ' HA ' ' HA ' ' A' ' 8' ' ' ALA . 44.4 tt0 -106.92 107.57 18.65 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.182 -0.673 . . . . 71.23 109.182 179.715 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . 0.507 HG12 HG13 ' B' ' 97' ' ' VAL . 21.4 m -110.96 145.28 17.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 120.993 0.425 . . . . 71.44 111.273 -174.73 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 84' ' ' GLY . . . . . . . . . . . . . . . -136.35 157.24 23.44 Favored Glycine 0 N--CA 1.443 -0.878 0 CA-C-N 115.695 -0.684 . . . . 52.45 111.593 178.628 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 85' ' ' ILE . . . . . 0.602 HD12 HD13 ' B' ' 36' ' ' LEU . 0.0 OUTLIER -134.84 130.82 52.91 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.877 0 N-CA-C 108.94 -0.763 . . . . 73.1 108.94 -179.452 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 86' ' ' GLY . . . . . 0.501 ' HA2' ' HG ' ' A' ' 4' ' ' LEU . . . -139.7 170.19 24.32 Favored Glycine 0 CA--C 1.516 0.105 0 O-C-N 123.993 0.808 . . . . 52.3 111.31 -177.41 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 87' ' ' PRO . . . . . 0.646 ' HD3' ' HG ' ' A' ' 4' ' ' LEU . 74.2 Cg_endo -72.07 141.43 36.36 Favored 'Trans proline' 0 N--CA 1.461 -0.414 0 C-N-CA 122.242 1.962 . . . . 61.3 111.863 -176.558 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 88' ' ' ASN . . . . . . . . . . . . . 47.6 t-20 -94.84 143.92 26.06 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 108.653 -0.869 . . . . 72.3 108.653 177.174 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -62.73 -18.26 62.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.976 0.417 . . . . 65.22 110.891 -177.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -67.41 -24.78 65.69 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 115.817 -0.628 . . . . 74.05 110.547 175.656 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.04 33.71 3.94 Favored Glycine 0 N--CA 1.45 -0.381 0 N-CA-C 111.233 -0.747 . . . . 72.2 111.233 -173.537 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . -140.37 -142.2 4.14 Favored Glycine 0 N--CA 1.451 -0.323 0 N-CA-C 111.288 -0.725 . . . . 70.13 111.288 -179.356 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 93' ' ' PHE . . . . . 0.576 ' CD2' HD11 ' B' ' 85' ' ' ILE . 19.2 m-85 -113.61 157.39 22.17 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.131 0.491 . . . . 73.12 111.211 179.151 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -142.77 136.72 29.15 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.106 -0.952 . . . . 62.21 108.947 177.642 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -102.87 143.46 32.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.176 0.513 . . . . 74.21 111.608 -175.011 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 96' ' ' ASP . . . . . 0.442 ' HB3' HD11 ' A' ' 3' ' ' ILE . 27.7 t70 -132.15 110.46 10.68 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 114.778 -1.101 . . . . 73.53 108.698 178.329 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 97' ' ' VAL . . . . . 0.762 ' HB ' HG22 ' B' ' 134' ' ' VAL . 61.0 t -110.27 110.77 33.4 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.026 0 CA-C-O 120.736 0.303 . . . . 65.34 111.022 -177.069 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 98' ' ' GLU . . . . . 0.548 ' HG2' ' HB2' ' B' ' 135' ' ' ARG . 40.8 mt-10 -98.33 105.5 17.65 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.481 -0.562 . . . . 74.42 109.481 174.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 14.6 tp -94.0 111.42 23.13 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.308 -0.627 . . . . 61.12 109.308 -177.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 100' ' ' ARG . . . . . 0.587 ' HA ' ' O ' ' B' ' 137' ' ' VAL . 59.1 ttt180 -99.16 131.1 45.44 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.699 -0.682 . . . . 64.11 110.016 -175.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 101' ' ' VAL . . . . . . . . . . . . . 93.1 t -117.06 129.35 73.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.475 -0.329 . . . . 60.12 110.856 -175.554 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -126.22 101.53 6.79 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-O 120.913 0.387 . . . . 53.32 110.186 174.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 103' ' ' LEU . . . . . 0.833 HD23 HD22 ' B' ' 106' ' ' LEU . 27.4 tp -115.76 118.58 38.66 Favored Pre-proline 0 C--N 1.329 -0.295 0 N-CA-C 109.056 -0.72 . . . . 72.24 109.056 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 104' ' ' PRO . . . . . 0.522 ' HD2' HD12 ' B' ' 103' ' ' LEU . 57.1 Cg_endo -68.81 146.51 66.32 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 122.554 2.17 . . . . 74.24 113.085 -174.218 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 105' ' ' GLY . . . . . . . . . . . . . . . 70.1 15.05 71.72 Favored Glycine 0 CA--C 1.518 0.237 0 CA-C-N 115.208 -0.906 . . . . 72.34 112.878 -178.643 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 106' ' ' LEU . . . . . 0.833 HD22 HD23 ' B' ' 103' ' ' LEU . 34.6 tp -119.17 140.81 49.56 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-O 120.824 0.345 . . . . 60.53 111.008 -176.85 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -76.71 164.86 25.47 Favored 'General case' 0 CA--C 1.512 -0.506 0 CA-C-N 116.056 -0.52 . . . . 63.12 110.9 178.309 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 108' ' ' ALA . . . . . 0.468 ' O ' ' HG3' ' B' ' 112' ' ' LYS . . . -68.64 -45.59 71.42 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.475 -0.784 . . . . 34.32 109.947 170.416 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -61.16 -47.0 88.22 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 115.645 -0.707 . . . . 64.51 110.727 -176.471 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 110' ' ' ALA . . . . . 0.491 ' O ' HG22 ' B' ' 113' ' ' THR . . . -71.34 -41.42 69.83 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-N 115.699 -0.682 . . . . 72.03 110.194 178.804 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 111' ' ' ALA . . . . . 0.531 ' HA ' HD21 ' B' ' 106' ' ' LEU . . . -54.51 -41.86 70.13 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-N 116.049 -0.523 . . . . 64.14 111.454 178.857 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 112' ' ' LYS . . . . . 0.468 ' HG3' ' O ' ' B' ' 108' ' ' ALA . 28.3 mtpp -52.93 -43.83 66.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.461 -0.336 . . . . 74.45 111.548 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 113' ' ' THR . . . . . 0.491 HG22 ' O ' ' B' ' 110' ' ' ALA . 1.5 t -78.72 -37.64 40.95 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 120.874 -0.33 . . . . 72.03 110.727 -177.613 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 114' ' ' LEU . . . . . 0.412 ' HG ' ' O ' ' B' ' 110' ' ' ALA . 38.5 mt -63.22 -45.9 89.49 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-O 120.956 0.408 . . . . 70.23 110.073 -179.784 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 115' ' ' VAL . . . . . 0.412 HG21 HG12 ' B' ' 138' ' ' VAL . 88.9 t -64.79 -39.12 84.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.749 -0.66 . . . . 63.55 110.029 176.825 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -55.94 -59.28 5.12 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-O 120.907 0.384 . . . . 75.43 110.945 179.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 117' ' ' ARG . . . . . . . . . . . . . 14.5 ptm180 -63.23 -44.73 94.43 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.749 -0.659 . . . . 70.2 111.034 -177.222 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -62.35 -36.48 82.35 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-O 121.391 0.615 . . . . 61.11 110.629 178.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 119' ' ' HIS . . . . . 0.484 ' HA ' ' HB3' ' B' ' 125' ' ' SER . 28.7 t60 -84.04 2.35 39.57 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.457 -0.792 . . . . 74.31 110.208 -178.788 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 57.8 t-80 -108.48 -37.56 5.92 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 120.528 0.204 . . . . 61.52 111.045 178.495 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 30.8 m -79.88 -36.12 16.81 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.319 0 N-CA-C 112.261 0.467 . . . . 63.42 112.261 -175.261 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 122' ' ' CYS . . . . . 0.545 ' SG ' ' HB1' ' B' ' 61' ' ' ALA . 70.0 m -71.34 137.77 83.97 Favored Pre-proline 0 CA--C 1.535 0.387 0 CA-C-N 116.711 -0.222 . . . . 74.53 110.798 -177.256 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 123' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_exo -50.68 -61.24 0.59 Allowed 'Trans proline' 0 C--N 1.355 0.911 0 C-N-CA 123.326 2.684 . . . . 65.25 113.059 -176.262 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 124' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -55.23 -39.76 70.06 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-O 121.209 0.528 . . . . 65.35 110.401 179.706 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 125' ' ' SER . . . . . 0.514 ' O ' HG22 ' B' ' 128' ' ' THR . 28.3 m -69.48 -37.17 77.14 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.43 -0.804 . . . . 64.23 111.792 -174.254 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 126' ' ' ASN . . . . . . . . . . . . . 40.9 t30 -65.95 -48.25 71.92 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.554 0.692 . . . . 74.24 109.634 177.646 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 127' ' ' ALA . . . . . 0.614 ' HB1' ' HB3' ' A' ' 127' ' ' ALA . . . -74.65 0.8 13.9 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 114.783 -1.099 . . . . 65.3 112.304 -177.439 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 128' ' ' THR . . . . . 0.514 HG22 ' O ' ' B' ' 125' ' ' SER . 2.1 t -116.05 -8.04 11.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.827 0.346 . . . . 55.14 110.626 -176.557 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 129' ' ' ARG . . . . . . . . . . . . . 16.6 ptm180 -110.17 -48.47 3.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.465 0.65 . . . . 75.21 109.981 179.3 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 130' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -79.03 -34.38 43.94 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.452 -0.794 . . . . 74.14 110.935 179.182 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 131' ' ' ASN . . . . . 0.7 HD21 ' HB3' ' A' ' 126' ' ' ASN . 8.1 t-20 -96.6 -40.93 8.78 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.847 -0.615 . . . . 75.43 111.079 -176.596 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 132' ' ' VAL . . . . . 0.498 HG23 ' O ' ' B' ' 127' ' ' ALA . 22.6 t -115.47 167.86 7.74 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.489 0 CA-C-N 116.138 -0.483 . . . . 52.13 110.376 -174.121 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 133' ' ' ALA . . . . . 0.48 ' N ' HG12 ' B' ' 132' ' ' VAL . . . -95.57 97.31 9.66 Favored 'General case' 0 C--O 1.242 0.674 0 CA-C-O 121.514 0.674 . . . . 72.23 112.036 -176.727 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 134' ' ' VAL . . . . . 0.762 HG22 ' HB ' ' B' ' 97' ' ' VAL . 72.6 t -122.71 115.46 45.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.12 -0.946 . . . . 61.1 111.386 177.293 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 135' ' ' ARG . . . . . 0.548 ' HB2' ' HG2' ' B' ' 98' ' ' GLU . 17.2 mtp180 -82.29 122.29 27.75 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.371 -0.831 . . . . 74.32 109.296 173.456 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 51.0 mt -91.97 113.21 25.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.03 0.443 . . . . 72.41 110.935 -178.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 137' ' ' VAL . . . . . 0.587 ' O ' ' HA ' ' B' ' 100' ' ' ARG . 0.2 OUTLIER -117.94 114.22 44.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.472 -0.785 . . . . 72.22 110.401 -179.345 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 138' ' ' VAL . . . . . 0.412 HG12 HG21 ' B' ' 115' ' ' VAL . 4.0 m -98.78 138.57 22.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.812 -0.631 . . . . 70.52 110.188 -179.26 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 139' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.188 0 CA-C-N 115.425 -0.807 . . . . 71.35 111.272 -174.869 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.58 ' HE3' HD13 ' A' ' 3' ' ' ILE . 15.7 ptt? . . . . . 0 N--CA 1.485 1.278 0 CA-C-O 120.538 0.209 . . . . 71.43 110.634 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 57.0 t30 -73.19 79.95 1.29 Allowed 'General case' 0 CA--C 1.53 0.212 0 CA-C-O 121.461 0.648 . . . . 75.52 110.659 176.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.584 HG21 ' HB2' ' A' ' 6' ' ' LYS . 33.8 mm -73.08 136.93 24.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 115.294 -0.866 . . . . 51.02 111.673 176.779 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.701 ' HG ' ' HD3' ' B' ' 87' ' ' PRO . 87.6 mt -85.19 -46.95 10.59 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.93 -0.577 . . . . 74.21 110.244 176.154 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 44.2 t80 -132.07 128.41 38.15 Favored 'General case' 0 C--O 1.222 -0.384 0 N-CA-C 110.084 -0.339 . . . . 54.43 110.084 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.584 ' HB2' HG21 ' A' ' 3' ' ' ILE . 29.4 ttmt -137.79 146.59 43.74 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.087 0.47 . . . . 62.42 111.342 179.678 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 4.9 t -144.11 158.89 43.45 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 115.264 -0.88 . . . . 73.02 109.313 178.34 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -123.25 149.14 45.12 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 121.071 0.462 . . . . 64.34 111.851 -175.517 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.621 ' HA ' ' H ' ' A' ' 22' ' ' HIS . . . -138.33 122.4 17.95 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.863 -0.608 . . . . 65.14 110.288 176.8 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 44.1 m -101.5 119.55 38.94 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.322 -0.399 . . . . 73.43 110.53 -178.794 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 34.4 p -121.08 115.45 23.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.773 0.32 . . . . 71.32 111.138 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 16.7 m -98.65 160.2 14.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 72.12 110.224 177.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -102.44 63.18 0.47 Allowed Glycine 0 N--CA 1.451 -0.338 0 N-CA-C 111.612 -0.595 . . . . 62.44 111.612 177.499 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -55.35 -90.51 0.01 OUTLIER Glycine 0 C--N 1.339 0.7 0 C-N-CA 121.425 -0.417 . . . . 62.02 113.14 -176.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.431 ' HA ' ' NE ' ' A' ' 15' ' ' ARG . 7.4 tpm_? -88.89 -55.08 3.84 Favored 'General case' 0 C--O 1.235 0.294 0 O-C-N 122.396 -0.473 . . . . 73.04 110.276 177.681 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.421 ' HB3' ' HA ' ' A' ' 31' ' ' SER . 18.1 t70 -126.2 -43.39 1.8 Allowed 'General case' 0 N--CA 1.465 0.297 0 C-N-CA 120.939 -0.304 . . . . 74.22 110.223 170.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -169.14 161.66 35.3 Favored Glycine 0 C--N 1.338 0.692 0 C-N-CA 120.716 -0.754 . . . . 73.12 111.67 162.787 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.564 ' HA ' ' HA ' ' A' ' 29' ' ' LYS . 3.8 tmm_? -149.59 122.96 9.02 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.607 -0.516 . . . . 73.24 109.607 -178.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.598 ' HB2' ' HB2' ' B' ' 56' ' ' ALA . . . -117.67 124.1 47.72 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.892 0.377 . . . . 71.12 110.908 -176.409 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 28.6 m -130.68 111.76 12.48 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.855 -0.611 . . . . 63.53 109.569 179.022 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.562 ' HB3' ' N ' ' A' ' 26' ' ' LEU . 46.0 t -67.84 110.71 3.94 Favored 'General case' 0 C--O 1.247 0.951 0 N-CA-C 108.004 -1.11 . . . . 62.3 108.004 177.325 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.621 ' H ' ' HA ' ' A' ' 9' ' ' ALA . 10.0 t-80 -48.49 -40.07 25.31 Favored 'General case' 0 N--CA 1.468 0.45 0 O-C-N 126.016 2.072 . . . . 71.44 113.492 -164.637 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -80.32 26.19 0.37 Allowed 'General case' 0 C--N 1.318 -0.77 0 CA-C-O 121.101 0.477 . . . . 73.43 110.467 -175.009 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.432 ' H ' ' C ' ' A' ' 22' ' ' HIS . 30.1 mm-40 66.59 28.21 9.34 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.266 -0.879 . . . . 72.53 109.921 176.638 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.492 ' HB2' ' OG ' ' A' ' 21' ' ' SER . 73.8 mmtt -86.28 -30.97 21.88 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.048 -0.978 . . . . 73.44 110.0 179.415 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.562 ' N ' ' HB3' ' A' ' 21' ' ' SER . 38.5 tp -153.79 150.69 28.73 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 120.308 -0.557 . . . . 74.42 111.554 -177.431 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -154.88 100.87 2.24 Favored 'General case' 0 C--O 1.234 0.266 0 O-C-N 123.46 0.475 . . . . 74.13 110.391 173.189 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 4.7 m -144.92 176.32 2.27 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.267 0 CA-C-O 121.397 0.617 . . . . 62.12 111.353 177.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.564 ' HA ' ' HA ' ' A' ' 18' ' ' ARG . 9.0 tttp -131.53 143.31 50.29 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.206 -0.907 . . . . 62.42 109.776 -179.594 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.776 ' HA ' ' H ' ' A' ' 44' ' ' THR . 0.0 OUTLIER -127.0 160.44 31.08 Favored 'General case' 0 C--O 1.259 1.567 0 CA-C-O 121.448 0.642 . . . . 64.12 110.942 177.554 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.421 ' HA ' ' HB3' ' A' ' 16' ' ' ASP . 60.0 m -157.73 127.01 5.86 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 114.631 -1.168 . . . . 75.34 110.819 -173.686 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.53 141.4 94.69 Favored Pre-proline 0 C--O 1.238 0.452 0 CA-C-N 116.004 -0.544 . . . . 52.21 111.102 178.56 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_endo -63.21 128.05 21.73 Favored 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 122.741 2.294 . . . . 73.33 112.056 -178.499 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.588 ' HB2' ' CA ' ' A' ' 40' ' ' GLY . 7.0 tpt180 -66.22 -16.48 64.04 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 115.958 -0.564 . . . . 50.12 110.365 -179.218 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -43.95 -51.03 7.95 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 115.336 -0.847 . . . . 75.14 111.928 -175.622 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 41.4 mt -98.01 -41.65 7.87 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.595 -0.73 . . . . 63.44 110.271 -175.003 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 166.28 45.47 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.361 0 CA-C-N 115.654 -0.703 . . . . 72.22 111.613 178.264 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -100.75 -134.09 8.39 Favored Glycine 0 C--N 1.331 0.3 0 C-N-CA 120.896 -0.669 . . . . 73.44 112.042 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -114.36 -27.68 7.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.454 0.169 . . . . 63.22 111.431 -177.559 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.588 ' CA ' ' HB2' ' A' ' 34' ' ' ARG . . . 60.52 34.17 84.61 Favored Glycine 0 C--N 1.333 0.368 0 C-N-CA 121.307 -0.473 . . . . 45.53 112.886 -175.589 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -96.36 158.75 15.29 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 110.409 -0.219 . . . . 44.21 110.409 -179.764 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.464 ' O ' ' HE3' ' A' ' 29' ' ' LYS . 10.3 pt-20 -66.17 79.32 0.09 Allowed 'General case' 0 CA--C 1.532 0.28 0 CA-C-O 121.822 0.82 . . . . 71.23 110.734 177.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -145.04 -173.83 16.69 Favored Glycine 0 N--CA 1.45 -0.428 0 CA-C-N 115.153 -0.93 . . . . 55.55 111.873 178.788 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.776 ' H ' ' HA ' ' A' ' 30' ' ' LEU . 25.6 m -104.65 159.23 15.94 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 110.37 -0.233 . . . . 74.01 110.37 -179.509 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.496 HD22 HG21 ' B' ' 7' ' ' THR . 94.7 m-20 -80.19 121.73 82.12 Favored Pre-proline 0 C--O 1.237 0.427 0 N-CA-C 109.735 -0.468 . . . . 72.33 109.735 173.587 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_exo -57.68 -46.12 28.95 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.703 2.269 . . . . 63.04 111.785 179.461 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -58.39 -36.16 73.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.435 -0.802 . . . . 62.13 110.26 179.156 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -65.99 -39.02 89.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.733 -0.667 . . . . 72.35 109.652 177.26 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.573 HD12 ' HA3' ' B' ' 53' ' ' GLY . 1.8 tm? -64.47 -42.76 95.73 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.47 -0.567 . . . . 71.11 109.47 -178.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 58.0 t80 -65.41 -45.42 84.03 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 116.416 -0.356 . . . . 64.45 110.836 176.68 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.14 -49.87 76.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.012 0.434 . . . . 52.03 110.865 179.198 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.621 ' HB1' ' HB1' ' B' ' 19' ' ' ALA . . . -64.59 -40.83 96.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.888 -0.596 . . . . 51.43 110.496 179.602 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.411 ' O ' ' SG ' ' A' ' 57' ' ' CYS . . . -65.16 -41.46 96.94 Favored Glycine 0 N--CA 1.45 -0.415 0 CA-C-N 115.798 -0.637 . . . . 45.35 112.399 178.404 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -66.26 -45.44 80.53 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 110.002 -0.37 . . . . 71.4 110.002 -179.224 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.468 ' HB3' ' HB2' ' A' ' 81' ' ' ALA . 17.6 p -63.45 -46.57 85.63 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.298 -0.41 . . . . 50.31 110.325 178.502 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.525 ' HB1' HD21 ' B' ' 30' ' ' LEU . . . -59.95 -45.71 91.76 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 116.27 -0.423 . . . . 72.41 110.632 177.645 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.411 ' SG ' ' O ' ' A' ' 53' ' ' GLY . 84.7 m -58.85 -36.39 74.49 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.926 -0.579 . . . . 74.4 110.349 177.204 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -57.18 -38.15 73.2 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 116.009 -0.541 . . . . 64.12 109.925 179.77 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.434 ' O ' ' HB2' ' A' ' 63' ' ' LYS . 4.2 mm? -69.01 -36.95 78.36 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 116.22 -0.445 . . . . 74.12 110.918 177.624 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 19.5 m -68.1 -45.82 72.66 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-O 120.842 0.353 . . . . 74.4 110.473 178.648 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.11 -51.15 60.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.078 -0.51 . . . . 64.15 110.524 -179.427 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 5.7 tpt -57.31 -32.5 66.74 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 115.903 -0.59 . . . . 61.32 110.052 178.352 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.593 ' HB2' ' HZ2' ' A' ' 63' ' ' LYS . 4.0 ttmp? -68.74 -48.94 62.51 Favored 'General case' 0 CA--C 1.529 0.15 0 CA-C-N 115.752 -0.658 . . . . 62.32 110.368 178.628 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 56.0 t80 -60.66 -41.22 94.58 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 116.226 -0.443 . . . . 70.35 110.055 179.217 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 53.9 t -56.32 -52.01 56.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 115.928 -0.578 . . . . 51.41 110.054 174.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -54.68 -35.57 63.71 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.962 -0.563 . . . . 55.45 110.243 177.311 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -68.51 -34.28 78.76 Favored Glycine 0 N--CA 1.449 -0.48 0 CA-C-N 115.197 -0.911 . . . . 65.01 112.194 -177.337 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 -93.15 -11.23 33.33 Favored 'General case' 0 C--N 1.332 -0.162 0 N-CA-C 108.965 -0.754 . . . . 73.33 108.965 -179.26 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -94.24 -0.64 54.97 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.045 -0.98 . . . . 73.35 110.733 176.402 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 3.1 mptp? 60.54 28.81 18.49 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 121.249 0.547 . . . . 70.5 111.391 177.755 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -123.07 162.42 22.46 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.517 -0.765 . . . . 65.11 110.308 179.036 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 17.6 p -126.06 138.1 53.68 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.92 -0.582 . . . . 71.13 109.722 177.199 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.437 HD12 ' H ' ' A' ' 73' ' ' LEU . 0.2 OUTLIER -109.19 147.3 35.68 Favored Pre-proline 0 C--N 1.326 -0.414 0 CA-C-N 116.533 -0.303 . . . . 63.13 110.488 -179.427 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_endo -56.07 126.62 23.0 Favored 'Trans proline' 0 C--N 1.35 0.646 0 C-N-CA 123.143 2.562 . . . . 75.32 112.74 -178.173 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -77.05 -1.74 30.49 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.322 0.582 . . . . 74.43 111.093 179.346 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -84.68 4.4 32.73 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.589 -0.732 . . . . 72.44 110.561 -179.682 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.517 ' HB ' HD12 ' A' ' 103' ' ' LEU . 10.2 t -79.63 167.41 20.73 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.599 -0.728 . . . . 73.42 112.203 -174.703 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -155.75 149.2 24.86 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 115.356 -0.838 . . . . 65.01 110.41 177.836 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 76.8 t -127.03 120.54 55.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 N-CA-C 109.184 -0.673 . . . . 73.54 109.184 174.026 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.418 ' HB ' ' HB3' ' A' ' 100' ' ' ARG . 20.7 m -98.14 113.95 26.01 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.901 -0.591 . . . . 61.0 110.15 -179.185 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.468 ' HB2' ' HB3' ' A' ' 55' ' ' SER . . . -101.62 106.45 17.51 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.107 -0.497 . . . . 75.0 110.012 179.403 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.556 ' HG2' ' HD3' ' B' ' 6' ' ' LYS . 42.5 tt0 -106.96 107.62 18.72 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.49 -0.559 . . . . 74.0 109.49 -179.056 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.41 ' HA ' ' HA ' ' A' ' 97' ' ' VAL . 7.7 p -105.56 139.08 27.82 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.336 0 CA-C-O 120.859 0.361 . . . . 74.25 110.985 -173.379 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.46 ' HA2' ' HA ' ' B' ' 6' ' ' LYS . . . -140.24 175.32 22.02 Favored Glycine 0 N--CA 1.446 -0.636 0 CA-C-N 116.267 -0.424 . . . . 64.22 112.677 -178.536 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -147.61 135.53 14.68 Favored 'Isoleucine or valine' 0 C--O 1.241 0.632 0 N-CA-C 109.208 -0.664 . . . . 71.32 109.208 -178.858 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -147.96 169.8 28.68 Favored Glycine 0 C--O 1.229 -0.217 0 N-CA-C 110.762 -0.935 . . . . 64.2 110.762 179.209 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.702 ' HD3' ' HG ' ' B' ' 4' ' ' LEU . 98.5 Cg_endo -79.49 140.84 15.37 Favored 'Trans proline' 0 N--CA 1.459 -0.524 0 C-N-CA 122.109 1.872 . . . . 75.13 112.287 -177.484 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . 0.401 ' OD1' ' N ' ' A' ' 89' ' ' GLU . 45.9 t-20 -89.34 148.07 23.73 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 108.475 -0.935 . . . . 63.43 108.475 176.046 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.401 ' N ' ' OD1' ' A' ' 88' ' ' ASN . 13.4 pt-20 -61.41 -14.74 30.52 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.004 0.43 . . . . 74.31 111.077 -179.061 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -67.13 -22.56 65.78 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 115.856 -0.611 . . . . 62.35 110.651 175.051 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.15 21.88 9.16 Favored Glycine 0 N--CA 1.454 -0.142 0 CA-C-N 115.691 -0.686 . . . . 52.42 112.017 -179.118 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -129.82 -150.47 6.99 Favored Glycine 0 N--CA 1.451 -0.365 0 N-CA-C 111.185 -0.766 . . . . 74.12 111.185 178.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -107.59 158.76 16.97 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.189 0.519 . . . . 72.25 111.045 178.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -144.48 128.93 17.97 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.215 -0.902 . . . . 73.43 108.807 178.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -97.29 141.31 30.55 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-O 121.133 0.492 . . . . 75.45 111.439 -175.568 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -133.16 150.81 52.0 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 114.901 -1.045 . . . . 62.1 109.061 -176.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.535 ' CG1' HG22 ' A' ' 134' ' ' VAL . 4.9 p -159.18 131.81 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-O 121.361 0.6 . . . . 41.42 110.939 174.24 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -103.75 121.41 42.94 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.184 -0.916 . . . . 51.52 109.918 -176.104 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 82.0 mt -101.09 106.48 17.75 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 109.713 -0.477 . . . . 73.33 109.713 176.026 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.494 ' HA ' HG13 ' A' ' 137' ' ' VAL . 15.1 ttt180 -102.21 104.0 14.54 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.434 -0.803 . . . . 73.43 109.32 -177.025 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 55.1 t -99.46 97.25 5.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.592 0.234 . . . . 72.23 110.858 -169.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -93.04 101.36 13.69 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.372 -0.376 . . . . 73.1 110.248 179.602 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.939 HD23 HD22 ' A' ' 106' ' ' LEU . 28.0 tp -113.98 117.83 43.37 Favored Pre-proline 0 C--O 1.236 0.343 0 N-CA-C 108.657 -0.868 . . . . 73.31 108.657 178.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . 0.541 ' HD2' HD12 ' A' ' 103' ' ' LEU . 61.4 Cg_endo -74.23 151.06 43.13 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.691 2.261 . . . . 73.52 112.331 -175.661 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 69.94 15.41 71.64 Favored Glycine 0 CA--C 1.521 0.415 0 CA-C-N 115.784 -0.644 . . . . 54.45 112.608 -179.032 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.939 HD22 HD23 ' A' ' 103' ' ' LEU . 34.4 tp -119.94 142.66 48.53 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 122.694 0.397 . . . . 65.03 111.266 -176.42 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . 0.412 ' HB3' ' H ' ' A' ' 110' ' ' ALA . 1.9 t70 -77.86 164.97 24.69 Favored 'General case' 0 CA--C 1.513 -0.463 0 CA-C-N 116.095 -0.502 . . . . 72.42 110.821 178.219 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.477 ' O ' ' HG3' ' A' ' 112' ' ' LYS . . . -68.81 -45.62 70.76 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.359 -0.837 . . . . 74.35 109.669 170.148 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -60.89 -46.24 91.42 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 115.516 -0.766 . . . . 64.13 111.049 -177.277 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.62 ' O ' HG22 ' A' ' 113' ' ' THR . . . -71.46 -42.11 68.56 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.813 -0.63 . . . . 73.25 110.322 178.682 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . 0.516 ' HA ' HD21 ' A' ' 106' ' ' LEU . . . -54.66 -42.99 71.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.253 -0.43 . . . . 54.13 111.401 178.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.477 ' HG3' ' O ' ' A' ' 108' ' ' ALA . 55.3 mtpt -56.86 -36.54 70.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.484 -0.326 . . . . 74.23 111.862 -178.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . 0.62 HG22 ' O ' ' A' ' 110' ' ' ALA . 1.9 t -81.26 -38.19 27.28 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 120.919 -0.312 . . . . 74.22 110.267 -179.026 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.479 ' HG ' ' O ' ' A' ' 110' ' ' ALA . 54.7 mt -63.91 -49.1 73.99 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 116.397 -0.365 . . . . 61.01 110.685 -177.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.51 HG21 HG12 ' A' ' 138' ' ' VAL . 85.3 t -64.58 -36.36 77.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 72.22 110.246 178.079 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -60.58 -52.86 63.36 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 116.118 -0.492 . . . . 63.5 110.872 -179.014 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . 0.433 ' HG2' ' O ' ' A' ' 113' ' ' THR . 15.4 ptm180 -69.69 -42.24 74.37 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-N 115.873 -0.603 . . . . 65.24 110.785 -177.153 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -59.99 -38.49 82.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.271 0.558 . . . . 63.41 110.199 176.694 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . 0.442 ' CE1' HG21 ' A' ' 128' ' ' THR . 43.8 t-80 -73.57 -24.79 60.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.645 -0.707 . . . . 74.13 110.268 177.007 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 34.7 t-80 -72.36 -37.05 68.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.054 -0.521 . . . . 75.14 110.142 178.1 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 28.0 m -92.16 1.85 8.66 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.414 0 CA-C-N 115.994 -0.548 . . . . 74.54 112.453 -178.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' CYS . . . . . 0.461 ' HA ' ' HD3' ' A' ' 123' ' ' PRO . 21.1 p -72.13 131.42 85.31 Favored Pre-proline 0 CA--C 1.535 0.4 0 C-N-CA 121.09 -0.244 . . . . 72.12 110.388 -179.408 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . 0.461 ' HD3' ' HA ' ' A' ' 122' ' ' CYS . 12.4 Cg_exo -71.45 7.77 1.4 Allowed 'Trans proline' 0 C--N 1.353 0.774 0 C-N-CA 123.166 2.577 . . . . 74.45 113.597 -176.514 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 26.9 m-85 -113.75 33.44 5.18 Favored 'General case' 0 N--CA 1.468 0.434 0 N-CA-C 109.207 -0.664 . . . . 65.44 109.207 178.659 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . 0.624 ' O ' HG22 ' A' ' 128' ' ' THR . 8.0 p -57.15 -61.2 2.63 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 115.84 -0.618 . . . . 62.44 112.567 -174.477 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' ASN . . . . . 0.511 ' HB2' ' HB2' ' B' ' 131' ' ' ASN . 18.9 m120 -58.5 -31.88 68.29 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-O 121.317 0.579 . . . . 73.42 109.915 178.782 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . 0.493 ' HB2' ' HB1' ' B' ' 127' ' ' ALA . . . -80.71 6.08 13.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.352 -0.84 . . . . 54.1 112.033 -177.057 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . 0.624 HG22 ' O ' ' A' ' 125' ' ' SER . 0.8 OUTLIER -109.87 -18.84 13.31 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.322 0.582 . . . . 73.21 110.112 -177.346 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 23.4 ptt180 -135.66 -48.54 0.69 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.717 -0.674 . . . . 72.04 112.089 -176.235 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 17.0 m120 -73.85 -38.63 64.43 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.203 -0.453 . . . . 71.52 111.884 -173.551 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . 0.52 HD21 ' HA ' ' B' ' 123' ' ' PRO . 0.2 OUTLIER -90.73 -40.55 11.78 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.713 -0.395 . . . . 72.12 110.722 -178.408 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 30.1 m -139.46 175.3 7.6 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.195 0 CA-C-O 120.758 0.313 . . . . 70.22 110.962 -176.737 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -107.73 97.13 6.89 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.304 0.573 . . . . 45.42 110.727 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . 0.535 HG22 ' CG1' ' A' ' 97' ' ' VAL . 28.5 t -94.83 120.17 43.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 115.557 -0.747 . . . . 75.02 110.512 175.003 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 34.1 mmt180 -95.47 127.18 41.29 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.515 -0.55 . . . . 72.41 109.515 177.761 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 45.6 mt -95.58 123.87 39.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.911 0.386 . . . . 50.04 111.403 -178.667 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . 0.494 HG13 ' HA ' ' A' ' 100' ' ' ARG . 0.2 OUTLIER -133.92 128.33 53.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.57 -0.741 . . . . 74.42 110.011 177.415 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . 0.51 HG12 HG21 ' A' ' 115' ' ' VAL . 3.9 m -101.94 139.23 23.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.047 -0.524 . . . . 53.11 109.921 -179.802 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.317 -0.836 0 CA-C-N 115.979 -0.555 . . . . 73.13 110.903 -175.82 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 28.6 ptm . . . . . 0 C--O 1.232 0.168 0 CA-C-O 121.218 0.532 . . . . 72.42 110.798 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 2' ' ' ASN . . . . . 0.504 ' O ' ' HD2' ' A' ' 87' ' ' PRO . 35.7 t30 -96.23 85.07 3.89 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.554 -0.748 . . . . 61.35 109.8 -179.658 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . 0.541 HG21 ' HB2' ' B' ' 6' ' ' LYS . 28.1 mm -70.83 122.93 23.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 116.073 -0.512 . . . . 72.42 111.393 179.353 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.702 ' HG ' ' HD3' ' A' ' 87' ' ' PRO . 92.8 mt -83.64 -41.4 17.83 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.556 -0.747 . . . . 75.25 110.291 178.058 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 5' ' ' TYR . . . . . . . . . . . . . 49.8 t80 -140.69 133.23 28.59 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 116.102 -0.499 . . . . 75.45 110.197 -179.407 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . 0.556 ' HD3' ' HG2' ' A' ' 82' ' ' GLU . 30.7 ttmt -141.98 137.23 31.05 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.133 0.492 . . . . 65.01 110.882 177.657 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . 0.496 HG21 HD22 ' A' ' 45' ' ' ASN . 7.0 t -129.69 137.76 50.78 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.384 -0.826 . . . . 72.52 109.065 -179.842 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . 0.467 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . . . -105.54 151.2 24.6 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.172 0.51 . . . . 64.22 111.549 -173.211 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . 0.432 ' HA ' ' H ' ' B' ' 22' ' ' HIS . . . -137.85 144.49 41.46 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.654 -0.703 . . . . 31.45 109.943 175.727 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 62.4 m -120.28 117.27 27.38 Favored 'General case' 0 N--CA 1.439 -1.008 0 N-CA-C 108.565 -0.902 . . . . 64.31 108.565 -178.194 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 70.6 m -116.0 114.77 25.05 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-N 115.793 -0.64 . . . . 74.14 110.969 -173.466 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . 0.453 HG22 ' N ' ' B' ' 13' ' ' GLY . 15.8 m -98.93 164.35 12.23 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 116.004 -0.544 . . . . 53.42 111.079 -176.513 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . 0.453 ' N ' HG22 ' B' ' 12' ' ' THR . . . -94.34 74.42 1.05 Allowed Glycine 0 CA--C 1.519 0.328 0 N-CA-C 111.384 -0.686 . . . . 71.12 111.384 171.772 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -66.61 -95.82 0.03 OUTLIER Glycine 0 C--N 1.335 0.482 0 C-N-CA 121.072 -0.585 . . . . 73.4 112.403 179.141 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 8.1 mpt_? -88.2 -55.08 3.89 Favored 'General case' 0 N--CA 1.466 0.339 0 N-CA-C 109.329 -0.619 . . . . 65.14 109.329 174.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 16' ' ' ASP . . . . . 0.563 ' HB3' ' HA ' ' B' ' 31' ' ' SER . 20.2 t70 -125.68 -42.84 1.9 Allowed 'General case' 0 CA--C 1.514 -0.405 0 CA-C-N 115.748 -0.66 . . . . 65.33 109.469 172.591 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 17' ' ' GLY . . . . . 0.406 ' O ' ' HG3' ' B' ' 29' ' ' LYS . . . -161.31 160.67 32.38 Favored Glycine 0 N--CA 1.445 -0.706 0 CA-C-N 115.294 -0.866 . . . . 74.22 111.631 171.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 18' ' ' ARG . . . . . 0.621 ' HA ' ' HA ' ' B' ' 29' ' ' LYS . 51.1 ttt180 -139.09 151.68 46.91 Favored 'General case' 0 C--N 1.316 -0.852 0 N-CA-C 108.685 -0.857 . . . . 74.4 108.685 177.144 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 19' ' ' ALA . . . . . 0.621 ' HB1' ' HB1' ' A' ' 52' ' ' ALA . . . -142.65 123.79 14.55 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.788 -0.449 . . . . 64.21 109.788 178.711 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 56.5 m -132.82 110.62 10.47 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.53 -0.304 . . . . 75.11 110.535 -179.683 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 21' ' ' SER . . . . . 0.508 ' HB3' ' N ' ' B' ' 26' ' ' LEU . 43.6 t -64.27 107.1 1.23 Allowed 'General case' 0 C--O 1.247 0.928 0 N-CA-C 107.193 -1.41 . . . . 74.21 107.193 177.374 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 22' ' ' HIS . . . . . 0.432 ' H ' ' HA ' ' B' ' 9' ' ' ALA . 86.4 t60 -62.1 -10.99 11.77 Favored 'General case' 0 C--N 1.345 0.406 0 O-C-N 125.869 1.98 . . . . 73.12 111.749 -167.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . 0.458 ' HB3' ' HE3' ' B' ' 25' ' ' LYS . 1.3 m-20 -80.21 9.21 5.95 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.204 -0.665 . . . . 63.54 109.204 175.822 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 33.3 mm-40 71.48 17.45 5.71 Favored 'General case' 0 CA--C 1.518 -0.25 0 CA-C-N 115.095 -0.957 . . . . 71.43 109.907 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.458 ' HE3' ' HB3' ' B' ' 23' ' ' ASP . 86.6 mttt -85.28 -27.87 25.7 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 115.131 -0.94 . . . . 41.25 111.747 -179.484 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . 0.508 ' N ' ' HB3' ' B' ' 21' ' ' SER . 39.9 tp -149.67 147.51 28.18 Favored 'General case' 0 CA--C 1.504 -0.797 0 C-N-CA 119.289 -0.964 . . . . 71.52 112.194 -176.449 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -154.96 100.75 2.22 Favored 'General case' 0 N--CA 1.442 -0.829 0 CA-C-N 115.089 -0.959 . . . . 53.33 109.901 177.296 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 3.1 m -144.9 178.04 1.61 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.407 0 CA-C-N 115.874 -0.603 . . . . 74.12 111.397 179.114 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.621 ' HA ' ' HA ' ' B' ' 18' ' ' ARG . 1.0 OUTLIER -141.57 143.13 33.57 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.341 -0.845 . . . . 64.31 109.816 -179.812 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . 0.713 ' HA ' ' H ' ' B' ' 44' ' ' THR . 0.0 OUTLIER -123.56 154.13 39.66 Favored 'General case' 0 C--O 1.246 0.873 0 CA-C-O 121.239 0.542 . . . . 72.32 110.787 179.058 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . 0.563 ' HA ' ' HB3' ' B' ' 16' ' ' ASP . 66.2 m -162.87 118.18 1.78 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 114.726 -1.125 . . . . 62.35 109.774 -175.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.32 131.53 90.21 Favored Pre-proline 0 C--O 1.236 0.367 0 CA-C-N 116.097 -0.501 . . . . 75.13 110.408 178.233 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 33' ' ' PRO . . . . . 0.585 ' HD2' ' OD1' ' B' ' 45' ' ' ASN . 11.6 Cg_endo -55.2 151.56 35.0 Favored 'Trans proline' 0 C--N 1.35 0.619 0 C-N-CA 122.552 2.168 . . . . 71.3 111.152 176.621 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 42.7 tpt85 -80.28 -1.16 39.66 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.358 -0.383 . . . . 71.43 110.774 -175.736 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 45.8 mm-40 -42.1 -54.82 3.45 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 115.419 -0.81 . . . . 72.42 112.957 -176.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 6.1 mp -95.93 -51.19 4.57 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.287 0.565 . . . . 63.52 109.677 -178.586 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 178.3 40.15 0.06 OUTLIER Glycine 0 N--CA 1.448 -0.559 0 CA-C-N 115.504 -0.771 . . . . 51.22 111.733 178.499 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -88.79 -130.6 3.74 Favored Glycine 0 C--N 1.333 0.386 0 C-N-CA 120.628 -0.796 . . . . 64.12 111.977 179.758 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -123.74 -14.47 7.23 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.474 0.178 . . . . 71.25 111.22 179.745 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 51.65 40.55 48.36 Favored Glycine 0 C--N 1.334 0.432 0 C-N-CA 121.351 -0.452 . . . . 53.13 112.679 -176.115 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -104.57 172.15 6.95 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.047 0.451 . . . . 45.11 111.105 -177.151 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . 0.499 ' O ' ' HE2' ' B' ' 29' ' ' LYS . 10.1 pt-20 -70.93 76.88 0.64 Allowed 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 115.435 -0.802 . . . . 74.14 111.165 179.409 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -155.43 -175.57 26.61 Favored Glycine 0 CA--C 1.521 0.413 0 C-N-CA 120.967 -0.635 . . . . 72.12 113.26 177.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 44' ' ' THR . . . . . 0.713 ' H ' ' HA ' ' B' ' 30' ' ' LEU . 22.2 m -105.58 162.89 13.1 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 123.16 0.584 . . . . 35.03 110.232 178.311 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 45' ' ' ASN . . . . . 0.585 ' OD1' ' HD2' ' B' ' 33' ' ' PRO . 17.4 t30 -85.81 138.55 35.31 Favored Pre-proline 0 CA--C 1.541 0.609 0 N-CA-C 109.886 -0.412 . . . . 71.14 109.886 -178.613 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 46' ' ' PRO . . . . . 0.487 ' HD2' ' OD1' ' B' ' 45' ' ' ASN . 18.5 Cg_endo -56.49 -57.0 1.61 Allowed 'Trans proline' 0 C--N 1.352 0.761 0 C-N-CA 123.422 2.748 . . . . 54.41 114.331 -172.605 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.08 -30.41 71.36 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 120.9 0.381 . . . . 73.03 110.353 -174.246 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -65.27 -41.89 93.77 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 109.234 -0.654 . . . . 65.22 109.234 175.087 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -59.91 -51.48 69.51 Favored 'General case' 0 C--O 1.239 0.502 0 CA-C-N 115.628 -0.714 . . . . 73.15 109.616 179.495 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 38.7 t80 -60.05 -44.73 94.49 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 116.427 -0.351 . . . . 74.53 110.611 177.302 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . 0.574 ' HB2' HG11 ' B' ' 83' ' ' VAL . . . -56.19 -50.11 72.14 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 116.42 -0.354 . . . . 63.22 111.22 179.525 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.26 -50.64 72.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.087 -0.506 . . . . 74.31 111.089 -179.766 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . 0.573 ' HA3' HD12 ' A' ' 49' ' ' LEU . . . -61.66 -45.1 96.99 Favored Glycine 0 C--N 1.332 0.346 0 C-N-CA 120.937 -0.649 . . . . 73.22 112.325 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -61.11 -53.22 59.75 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 122.825 0.45 . . . . 73.14 110.549 178.519 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 55' ' ' SER . . . . . 0.482 ' OG ' ' HB2' ' B' ' 81' ' ' ALA . 54.2 m -57.7 -48.42 79.61 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.684 0.278 . . . . 71.55 110.545 -178.291 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 56' ' ' ALA . . . . . 0.598 ' HB2' ' HB2' ' A' ' 19' ' ' ALA . . . -59.42 -41.22 89.03 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-O 120.982 0.42 . . . . 72.32 110.638 177.662 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 57' ' ' CYS . . . . . . . . . . . . . 39.2 t -62.88 -36.65 84.0 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.725 -0.67 . . . . 72.4 110.221 176.796 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 48.3 t80 -60.57 -40.2 90.82 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.059 -0.519 . . . . 52.32 110.313 -176.379 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -62.92 -46.5 87.52 Favored 'General case' 0 CA--C 1.53 0.189 0 CA-C-N 116.387 -0.369 . . . . 64.41 110.632 177.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 15.8 t -70.26 -41.81 72.99 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 116.554 -0.294 . . . . 73.23 110.935 -176.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -63.63 -46.93 83.45 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.34 -0.391 . . . . 44.1 110.126 178.478 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 62' ' ' MET . . . . . . . . . . . . . 5.4 tpt -57.83 -37.7 74.3 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 115.851 -0.613 . . . . 71.0 109.65 175.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . 0.452 ' HZ3' ' HB3' ' B' ' 63' ' ' LYS . 7.6 ttpm? -64.33 -45.45 87.82 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.349 -0.841 . . . . 72.03 110.491 178.142 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 79.2 t80 -66.89 -39.83 87.59 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 116.342 -0.39 . . . . 73.11 110.26 -179.701 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 46.5 t -55.39 -47.41 78.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 N-CA-C 109.621 -0.511 . . . . 75.05 109.621 174.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -56.86 -34.15 67.54 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.853 -0.612 . . . . 74.13 110.032 175.529 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -70.35 -35.39 69.25 Favored Glycine 0 N--CA 1.451 -0.364 0 CA-C-N 115.379 -0.828 . . . . 75.04 112.248 -177.003 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -90.57 -13.91 33.57 Favored 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 109.035 -0.728 . . . . 64.5 109.035 -178.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 69' ' ' ASN . . . . . 0.512 ' HB3' ' HG2' ' B' ' 71' ' ' GLN . 8.7 m-80 -93.12 0.07 57.13 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.076 -0.965 . . . . 65.21 110.382 174.597 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 60.35 26.84 16.38 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 115.99 -0.55 . . . . 73.12 111.424 175.627 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . 0.512 ' HG2' ' HB3' ' B' ' 69' ' ' ASN . 4.9 pt20 -119.62 164.94 15.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.62 -0.718 . . . . 74.24 110.103 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 21.5 p -127.7 131.61 49.73 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.018 0.437 . . . . 74.12 110.502 178.195 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -109.38 155.01 41.91 Favored Pre-proline 0 C--N 1.324 -0.528 0 CA-C-N 115.797 -0.638 . . . . 75.15 109.926 177.872 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 74' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_exo -57.91 133.09 53.65 Favored 'Trans proline' 0 C--N 1.35 0.61 0 C-N-CA 122.526 2.151 . . . . 62.01 112.341 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -72.51 -17.3 61.76 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.482 0.658 . . . . 71.53 111.154 177.771 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -87.63 25.27 1.51 Allowed 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.333 -0.849 . . . . 60.22 110.782 -171.317 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 77' ' ' THR . . . . . 0.545 ' CB ' HD22 ' B' ' 103' ' ' LEU . 4.0 t -94.73 156.66 16.29 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.841 -0.618 . . . . 73.25 110.389 178.217 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 60.4 m -148.25 150.31 33.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.979 0.419 . . . . 71.23 110.532 -179.499 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 70.2 t -127.63 127.44 68.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 N-CA-C 109.156 -0.683 . . . . 54.24 109.156 177.48 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 60.9 m -114.21 115.06 26.86 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.741 0.305 . . . . 72.42 110.744 -178.743 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 81' ' ' ALA . . . . . 0.482 ' HB2' ' OG ' ' B' ' 55' ' ' SER . . . -93.3 105.7 17.74 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.022 -0.535 . . . . 73.43 110.229 178.351 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 82' ' ' GLU . . . . . 0.51 ' HG2' ' HD3' ' A' ' 6' ' ' LYS . 29.4 tt0 -102.91 107.42 18.24 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 108.52 -0.918 . . . . 71.23 108.52 176.256 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . 0.574 HG11 ' HB2' ' B' ' 51' ' ' ALA . 30.4 m -110.82 144.14 19.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.932 -0.576 . . . . 71.44 111.373 -170.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 84' ' ' GLY . . . . . . . . . . . . . . . -144.03 156.59 26.77 Favored Glycine 0 N--CA 1.441 -1.002 0 CA-C-N 116.08 -0.509 . . . . 52.45 112.353 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 85' ' ' ILE . . . . . 0.523 HD11 ' CD2' ' B' ' 93' ' ' PHE . 0.0 OUTLIER -121.97 132.44 70.92 Favored 'Isoleucine or valine' 0 C--O 1.242 0.678 0 N-CA-C 108.831 -0.803 . . . . 73.1 108.831 176.596 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 86' ' ' GLY . . . . . 0.416 ' HA2' ' HG ' ' A' ' 4' ' ' LEU . . . -138.91 170.28 24.08 Favored Glycine 0 N--CA 1.453 -0.171 0 N-CA-C 111.028 -0.829 . . . . 52.3 111.028 -179.508 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 87' ' ' PRO . . . . . 0.701 ' HD3' ' HG ' ' A' ' 4' ' ' LEU . 37.1 Cg_endo -85.27 131.68 4.24 Favored 'Trans proline' 0 N--CA 1.452 -0.913 0 C-N-CA 122.465 2.11 . . . . 61.3 112.306 -176.794 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 88' ' ' ASN . . . . . . . . . . . . . 52.1 t-20 -79.13 141.84 36.93 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.381 -0.827 . . . . 72.3 109.319 178.622 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -61.99 -19.76 63.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.979 0.418 . . . . 65.22 110.985 -178.741 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -67.53 -20.98 65.49 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 116.014 -0.539 . . . . 74.05 110.613 176.294 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.27 35.43 3.37 Favored Glycine 0 N--CA 1.451 -0.301 0 CA-C-N 115.842 -0.617 . . . . 72.2 111.737 -177.283 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . -141.0 -145.2 4.55 Favored Glycine 0 N--CA 1.451 -0.325 0 N-CA-C 111.214 -0.755 . . . . 70.13 111.214 179.718 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 93' ' ' PHE . . . . . 0.523 ' CD2' HD11 ' B' ' 85' ' ' ILE . 42.6 m-85 -111.57 163.47 14.04 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.878 0.371 . . . . 73.12 110.497 178.78 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -148.28 126.91 12.48 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.434 -0.803 . . . . 62.21 109.201 178.341 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -98.17 129.47 44.94 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.106 0.479 . . . . 74.21 110.977 -176.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 96' ' ' ASP . . . . . 0.515 ' HB3' HD11 ' A' ' 3' ' ' ILE . 12.3 t70 -122.08 128.67 51.62 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.043 -0.98 . . . . 73.53 109.896 -178.139 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 97' ' ' VAL . . . . . 0.744 ' HB ' HG22 ' B' ' 134' ' ' VAL . 85.7 t -125.03 110.4 24.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 N-CA-C 110.175 -0.306 . . . . 65.34 110.175 177.427 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -94.1 101.99 14.03 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 108.703 -0.851 . . . . 74.42 108.703 177.092 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 17.7 tp -100.43 111.86 24.16 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 115.96 -0.564 . . . . 61.12 110.357 -171.607 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 100' ' ' ARG . . . . . 0.555 ' HA ' ' O ' ' B' ' 137' ' ' VAL . 71.7 mtt85 -98.92 123.03 42.92 Favored 'General case' 0 CA--C 1.52 -0.193 0 CA-C-N 116.139 -0.482 . . . . 64.11 111.288 -176.719 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 101' ' ' VAL . . . . . . . . . . . . . 83.1 t -106.19 108.36 24.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.506 -0.77 . . . . 60.12 110.588 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 102' ' ' ALA . . . . . 0.516 ' HA ' ' HB3' ' B' ' 139' ' ' ALA . . . -104.17 101.13 10.88 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.971 -0.381 . . . . 53.32 109.971 176.458 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 103' ' ' LEU . . . . . 0.583 ' HB3' HD23 ' B' ' 106' ' ' LEU . 0.3 OUTLIER -114.41 114.69 45.15 Favored Pre-proline 0 C--N 1.327 -0.375 0 N-CA-C 108.787 -0.82 . . . . 72.24 108.787 179.824 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 104' ' ' PRO . . . . . 0.436 ' HD2' ' HB ' ' B' ' 77' ' ' THR . 57.2 Cg_endo -70.41 148.92 61.89 Favored 'Trans proline' 0 C--O 1.234 0.285 0 C-N-CA 122.492 2.128 . . . . 74.24 112.438 -179.298 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 105' ' ' GLY . . . . . . . . . . . . . . . 70.71 14.86 73.06 Favored Glycine 0 CA--C 1.517 0.201 0 CA-C-N 115.515 -0.766 . . . . 72.34 112.759 -179.169 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 106' ' ' LEU . . . . . 0.583 HD23 ' HB3' ' B' ' 103' ' ' LEU . 25.1 tp -124.69 137.87 54.33 Favored 'General case' 0 C--O 1.238 0.458 0 CA-C-O 120.985 0.422 . . . . 60.53 110.908 -177.54 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -73.91 143.21 45.85 Favored 'General case' 0 CA--C 1.519 -0.233 0 CA-C-N 115.649 -0.705 . . . . 63.12 110.022 176.504 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 108' ' ' ALA . . . . . 0.536 ' O ' ' HG3' ' B' ' 112' ' ' LYS . . . -62.69 -37.34 86.07 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.966 0.412 . . . . 34.32 110.641 176.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -59.68 -49.7 76.72 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.853 -0.612 . . . . 64.51 110.658 178.525 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 110' ' ' ALA . . . . . 0.564 ' O ' HG22 ' B' ' 113' ' ' THR . . . -66.67 -42.72 86.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.785 -0.643 . . . . 72.03 110.036 178.144 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 111' ' ' ALA . . . . . 0.406 ' O ' HG23 ' B' ' 115' ' ' VAL . . . -55.34 -37.52 67.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.736 -0.666 . . . . 64.14 110.986 -179.719 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 112' ' ' LYS . . . . . 0.536 ' HG3' ' O ' ' B' ' 108' ' ' ALA . 63.6 mttp -52.08 -44.2 64.25 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 116.331 -0.395 . . . . 74.45 111.02 177.813 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 113' ' ' THR . . . . . 0.564 HG22 ' O ' ' B' ' 110' ' ' ALA . 1.9 t -82.06 -36.88 27.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.801 0.334 . . . . 72.03 110.718 -177.18 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 114' ' ' LEU . . . . . 0.487 ' HG ' ' O ' ' B' ' 110' ' ' ALA . 47.3 mt -61.91 -47.43 84.96 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.246 -0.434 . . . . 70.23 110.507 -178.285 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 115' ' ' VAL . . . . . 0.407 HG21 HG12 ' B' ' 138' ' ' VAL . 78.7 t -65.91 -34.23 68.88 Favored 'Isoleucine or valine' 0 C--O 1.237 0.434 0 CA-C-N 115.99 -0.55 . . . . 63.55 110.432 179.485 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -63.92 -57.79 8.71 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 115.911 -0.586 . . . . 75.43 110.452 -179.659 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 117' ' ' ARG . . . . . . . . . . . . . 13.6 ptm180 -64.93 -35.55 81.53 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 115.966 -0.561 . . . . 70.2 110.358 -177.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -59.34 -40.47 86.47 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.052 -0.522 . . . . 61.11 109.674 174.738 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 119' ' ' HIS . . . . . 0.75 ' HA ' ' HB3' ' B' ' 125' ' ' SER . 15.5 m80 -73.67 1.24 10.66 Favored 'General case' 0 N--CA 1.455 -0.201 0 CA-C-N 115.904 -0.589 . . . . 74.31 112.322 178.038 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -108.55 -33.52 7.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.849 0.357 . . . . 61.52 110.479 176.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 34.8 m -94.4 -39.34 10.26 Favored 'Isoleucine or valine' 0 C--O 1.234 0.286 0 N-CA-C 112.071 0.397 . . . . 63.42 112.071 -176.097 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 122' ' ' CYS . . . . . 0.405 ' HA ' ' HD3' ' B' ' 123' ' ' PRO . 68.8 m -76.92 140.75 67.17 Favored Pre-proline 0 C--O 1.238 0.448 0 CA-C-O 120.4 0.143 . . . . 74.53 111.039 -176.536 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 123' ' ' PRO . . . . . 0.52 ' HA ' HD21 ' A' ' 131' ' ' ASN . 48.2 Cg_exo -56.75 162.43 8.64 Favored 'Trans proline' 0 C--N 1.353 0.811 0 C-N-CA 122.809 2.339 . . . . 65.25 111.727 176.526 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 124' ' ' TYR . . . . . . . . . . . . . 79.4 m-85 73.7 -53.25 0.69 Allowed 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 123.449 0.7 . . . . 65.35 110.531 -177.473 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 125' ' ' SER . . . . . 0.75 ' HB3' ' HA ' ' B' ' 119' ' ' HIS . 50.4 m -55.87 -48.2 75.98 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.139 -0.937 . . . . 64.23 113.257 -172.849 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 126' ' ' ASN . . . . . . . . . . . . . 52.3 t30 -59.92 -38.92 83.72 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.458 0.647 . . . . 74.24 109.743 -179.266 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 127' ' ' ALA . . . . . 0.676 ' O ' ' HB3' ' B' ' 131' ' ' ASN . . . -87.83 6.61 34.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.178 -0.919 . . . . 65.3 111.516 -179.409 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 128' ' ' THR . . . . . 0.587 HG22 ' O ' ' B' ' 125' ' ' SER . 1.1 t -109.15 -16.63 14.05 Favored 'General case' 0 C--O 1.223 -0.292 0 N-CA-C 109.751 -0.463 . . . . 55.14 109.751 176.52 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 129' ' ' ARG . . . . . 0.551 ' HD2' ' HB3' ' B' ' 119' ' ' HIS . 12.3 ptm180 -105.48 -47.96 3.8 Favored 'General case' 0 N--CA 1.455 -0.198 0 N-CA-C 109.512 -0.551 . . . . 75.21 109.512 -175.878 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 130' ' ' ASN . . . . . . . . . . . . . 63.6 m-80 -78.97 -21.36 47.23 Favored 'General case' 0 N--CA 1.455 -0.188 0 CA-C-N 116.111 -0.495 . . . . 74.14 111.078 178.162 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 131' ' ' ASN . . . . . 0.676 ' HB3' ' O ' ' B' ' 127' ' ' ALA . 6.6 t30 -100.97 -43.99 5.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 75.43 110.879 -177.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 132' ' ' VAL . . . . . 0.413 HG12 ' N ' ' B' ' 133' ' ' ALA . 13.4 t -112.09 161.75 10.54 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.279 0 CA-C-N 116.073 -0.512 . . . . 52.13 110.192 -174.186 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 133' ' ' ALA . . . . . 0.413 ' N ' HG12 ' B' ' 132' ' ' VAL . . . -91.68 81.33 5.28 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.92 0.866 . . . . 72.23 110.223 177.57 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 134' ' ' VAL . . . . . 0.744 HG22 ' HB ' ' B' ' 97' ' ' VAL . 97.2 t -103.61 112.17 36.07 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.723 0 CA-C-N 114.66 -1.155 . . . . 61.1 110.428 178.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 24.6 mmm180 -78.55 108.15 11.74 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.741 -0.663 . . . . 74.32 109.316 174.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 75.3 mt -78.19 122.2 25.35 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.859 -0.61 . . . . 72.41 110.454 179.361 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 137' ' ' VAL . . . . . 0.555 ' O ' ' HA ' ' B' ' 100' ' ' ARG . 0.3 OUTLIER -132.16 116.87 30.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.448 -0.796 . . . . 72.22 110.127 -179.546 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 138' ' ' VAL . . . . . 0.407 HG12 HG21 ' B' ' 115' ' ' VAL . 3.6 m -94.61 138.55 20.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.583 -0.735 . . . . 70.52 109.6 179.747 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 139' ' ' ALA . . . . . 0.516 ' HB3' ' HA ' ' B' ' 102' ' ' ALA . . . . . . . . 0 C--O 1.251 1.159 0 CA-C-O 118.47 -0.776 . . . . 71.35 110.771 -175.696 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.457 ' SD ' ' HB2' ' B' ' 96' ' ' ASP . 25.4 ptm . . . . . 0 N--CA 1.486 1.335 0 CA-C-O 120.994 0.426 . . . . 71.43 110.663 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.456 ' O ' ' HA3' ' B' ' 86' ' ' GLY . 41.2 t30 -89.36 84.43 6.45 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.65 -0.705 . . . . 75.52 109.584 -178.609 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.53 HG21 ' HB2' ' A' ' 6' ' ' LYS . 28.4 mm -75.33 133.64 30.96 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-N 115.944 -0.571 . . . . 51.02 112.131 -179.385 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.803 ' HG ' ' HD3' ' B' ' 87' ' ' PRO . 87.2 mt -91.75 -44.5 8.95 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 114.959 -1.019 . . . . 74.21 109.657 171.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 22.5 t80 -138.94 126.57 21.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.651 -0.704 . . . . 54.43 110.098 -176.092 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.53 ' HB2' HG21 ' A' ' 3' ' ' ILE . 30.5 ttmt -140.21 133.88 30.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.912 0.387 . . . . 62.42 110.408 176.522 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.527 HG23 ' OE1' ' B' ' 48' ' ' GLN . 11.1 t -131.02 167.18 19.49 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.657 -0.702 . . . . 73.02 109.545 177.178 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.459 ' HA ' ' HA ' ' B' ' 82' ' ' GLU . . . -135.78 149.67 49.21 Favored 'General case' 0 C--O 1.238 0.452 0 CA-C-O 121.288 0.566 . . . . 64.34 111.624 -174.336 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.428 ' CB ' ' HA ' ' A' ' 21' ' ' SER . . . -140.46 139.69 35.22 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.807 -0.633 . . . . 65.14 110.447 176.674 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 8.8 t -103.04 131.14 50.24 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.606 -0.516 . . . . 73.43 109.606 176.58 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 29.4 t -122.67 113.45 19.24 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.118 0.485 . . . . 71.32 110.718 -178.372 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.508 ' HB ' ' HB3' ' A' ' 18' ' ' ARG . 6.0 m -91.78 166.91 12.52 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.945 -0.571 . . . . 72.12 109.614 177.005 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -82.73 14.1 38.63 Favored Glycine 0 CA--C 1.523 0.584 0 C-N-CA 120.851 -0.69 . . . . 62.44 112.501 175.63 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.409 ' CA ' ' HB2' ' A' ' 18' ' ' ARG . . . 30.34 -129.63 0.14 Allowed Glycine 0 C--N 1.344 0.983 0 O-C-N 123.86 0.388 . . . . 62.02 112.889 -174.649 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 6.2 tmm_? -88.82 -36.2 16.18 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 107.488 -1.301 . . . . 73.04 107.488 163.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -126.07 -42.42 1.87 Allowed 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 115.951 -0.568 . . . . 74.22 110.858 170.332 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.432 ' O ' ' HG3' ' A' ' 29' ' ' LYS . . . -159.45 153.57 24.62 Favored Glycine 0 C--N 1.349 1.292 0 C-N-CA 120.763 -0.732 . . . . 73.12 111.565 169.051 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.516 ' HA ' ' HA ' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -150.0 128.55 12.28 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.599 -0.519 . . . . 73.24 109.599 -176.316 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -133.21 133.2 42.44 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 117.843 0.292 . . . . 71.12 111.302 -178.429 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.407 HG23 ' O ' ' A' ' 26' ' ' LEU . 56.2 m -142.8 118.84 10.68 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.382 -0.372 . . . . 63.53 110.676 -178.777 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.439 ' CB ' ' HB3' ' A' ' 26' ' ' LEU . 28.4 t -81.53 118.63 22.9 Favored 'General case' 0 C--O 1.249 1.045 0 N-CA-C 108.857 -0.794 . . . . 62.3 108.857 175.864 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.449 ' C ' ' H ' ' A' ' 24' ' ' GLN . 13.2 t60 -50.9 -27.66 8.01 Favored 'General case' 0 N--CA 1.469 0.503 0 O-C-N 126.029 2.08 . . . . 71.44 113.219 -165.4 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.411 ' HB2' ' HE3' ' A' ' 25' ' ' LYS . 4.0 m-20 -80.02 22.15 0.53 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.957 0.408 . . . . 73.43 109.942 -176.452 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.449 ' H ' ' C ' ' A' ' 22' ' ' HIS . 29.0 mm-40 60.57 20.66 10.5 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 115.436 -0.802 . . . . 72.53 109.704 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.411 ' HE3' ' HB2' ' A' ' 23' ' ' ASP . 9.2 ptpp? -93.4 -20.4 20.36 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 116.015 -0.539 . . . . 73.44 109.869 -176.538 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.439 ' HB3' ' CB ' ' A' ' 21' ' ' SER . 61.3 tp -141.34 140.7 33.81 Favored 'General case' 0 C--N 1.342 0.273 0 C-N-CA 120.275 -0.57 . . . . 74.42 110.286 174.658 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -161.77 96.46 1.03 Allowed 'General case' 0 C--N 1.331 -0.234 0 O-C-N 123.528 0.517 . . . . 74.13 109.959 176.296 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 2.9 m -146.24 178.28 1.22 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.417 0 CA-C-O 121.304 0.574 . . . . 62.12 111.817 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.516 ' HA ' ' HA ' ' A' ' 18' ' ' ARG . 45.6 tttt -142.46 141.17 32.13 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 114.848 -1.069 . . . . 62.42 109.554 179.652 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.574 ' N ' HD13 ' A' ' 30' ' ' LEU . 0.0 OUTLIER -132.98 175.03 9.73 Favored 'General case' 0 C--O 1.258 1.527 0 CA-C-O 121.277 0.56 . . . . 64.12 112.079 -178.206 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.444 ' HB2' ' HB3' ' A' ' 41' ' ' ALA . 51.1 m -155.48 154.01 31.16 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 114.675 -1.148 . . . . 75.34 111.276 -179.177 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -75.01 147.85 83.99 Favored Pre-proline 0 CA--C 1.54 0.58 0 CA-C-N 116.059 -0.519 . . . . 52.21 111.603 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -61.82 141.68 90.95 Favored 'Trans proline' 0 C--N 1.356 0.925 0 C-N-CA 122.955 2.437 . . . . 73.33 112.298 -178.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.547 ' HB2' ' HA3' ' A' ' 40' ' ' GLY . 9.0 tpt180 -71.06 -35.59 71.98 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.226 -0.443 . . . . 50.12 111.608 -176.411 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -57.59 -24.81 58.36 Favored 'General case' 0 N--CA 1.466 0.348 0 N-CA-C 112.942 0.719 . . . . 75.14 112.942 -170.397 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.453 HD22 ' N ' ' A' ' 36' ' ' LEU . 1.2 mm? -99.73 19.88 15.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.978 0.418 . . . . 63.44 110.321 -179.096 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 86.33 30.28 22.62 Favored Glycine 0 N--CA 1.452 -0.272 0 CA-C-N 115.989 -0.551 . . . . 72.22 111.914 -176.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -98.91 -133.12 7.94 Favored Glycine 0 N--CA 1.453 -0.216 0 C-N-CA 121.314 -0.47 . . . . 73.44 112.398 -178.339 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -119.67 -26.93 5.59 Favored 'General case' 0 N--CA 1.465 0.307 0 N-CA-C 112.214 0.45 . . . . 63.22 112.214 -175.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.547 ' HA3' ' HB2' ' A' ' 34' ' ' ARG . . . 50.15 40.46 36.68 Favored Glycine 0 N--CA 1.461 0.358 0 C-N-CA 121.613 -0.327 . . . . 45.53 113.421 -173.212 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.444 ' HB3' ' HB2' ' A' ' 31' ' ' SER . . . -72.47 167.96 19.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.654 0.264 . . . . 44.21 110.658 179.432 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -83.47 37.98 0.6 Allowed 'General case' 0 CA--C 1.534 0.34 0 CA-C-O 121.25 0.548 . . . . 71.23 111.35 -177.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -106.49 -136.46 8.33 Favored Glycine 0 N--CA 1.452 -0.269 0 N-CA-C 111.071 -0.812 . . . . 55.55 111.071 177.099 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.485 ' OG1' ' HB3' ' A' ' 30' ' ' LEU . 82.2 p -129.53 167.48 17.83 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.783 -0.451 . . . . 74.01 109.783 176.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 11.9 m120 -100.91 138.53 20.05 Favored Pre-proline 0 C--N 1.328 -0.343 0 N-CA-C 109.876 -0.416 . . . . 72.33 109.876 179.551 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -55.66 -47.71 24.01 Favored 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 122.855 2.37 . . . . 63.04 112.435 -178.356 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.2 mp0 -63.6 -38.63 91.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.887 -0.597 . . . . 62.13 110.249 -179.468 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -66.75 -37.78 85.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.568 -0.742 . . . . 72.35 109.648 178.15 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.561 HD12 ' HA3' ' B' ' 53' ' ' GLY . 2.2 tm? -64.56 -49.53 70.85 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 115.809 -0.632 . . . . 71.11 109.586 -179.828 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 35.6 t80 -60.48 -45.07 95.08 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 116.235 -0.439 . . . . 64.45 110.383 177.121 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.41 ' HB2' HG11 ' A' ' 83' ' ' VAL . . . -51.97 -53.02 46.31 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.233 -0.44 . . . . 52.03 111.229 177.008 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.59 ' HB1' ' HB1' ' B' ' 19' ' ' ALA . . . -65.74 -46.3 79.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.78 -0.645 . . . . 51.43 111.186 -178.095 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.466 ' HA3' HD12 ' B' ' 49' ' ' LEU . . . -64.42 -39.83 97.25 Favored Glycine 0 C--O 1.225 -0.409 0 CA-C-N 115.826 -0.624 . . . . 45.35 112.362 -178.591 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -69.21 -47.53 64.58 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 122.702 0.401 . . . . 71.4 110.534 -179.276 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 27.8 p -60.21 -48.88 79.84 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.806 0.336 . . . . 50.31 110.227 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.467 ' HB1' HD21 ' B' ' 30' ' ' LEU . . . -61.58 -41.47 97.45 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.023 -0.535 . . . . 72.41 110.677 176.576 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 52.9 t -62.95 -36.26 82.88 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 115.977 -0.556 . . . . 74.4 110.356 179.311 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.487 ' HE2' ' HA ' ' A' ' 123' ' ' PRO . 27.5 t80 -67.64 -30.64 70.25 Favored 'General case' 0 N--CA 1.454 -0.225 0 CA-C-N 116.113 -0.494 . . . . 64.12 109.681 -178.069 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.461 HD21 HG23 ' A' ' 79' ' ' VAL . 96.1 mt -65.62 -51.43 59.71 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.905 -0.588 . . . . 74.12 109.768 175.2 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 15.5 m -57.79 -40.92 81.04 Favored 'General case' 0 C--O 1.237 0.418 0 CA-C-O 121.306 0.574 . . . . 74.4 110.401 176.717 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.401 ' O ' HG23 ' A' ' 65' ' ' VAL . . . -61.48 -47.0 87.65 Favored 'General case' 0 C--O 1.223 -0.342 0 CA-C-N 115.699 -0.682 . . . . 64.15 110.054 177.623 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.94 -38.54 86.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.479 -0.328 . . . . 61.32 110.637 177.685 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 28.9 tptp -58.72 -50.95 72.02 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-N 115.964 -0.562 . . . . 62.32 110.312 178.285 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.419 ' CZ ' ' HE1' ' B' ' 93' ' ' PHE . 51.6 t80 -69.79 -46.39 65.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.898 -0.592 . . . . 70.35 111.115 -178.394 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.401 HG23 ' O ' ' A' ' 61' ' ' ALA . 42.0 t -55.22 -44.53 75.33 Favored 'Isoleucine or valine' 0 C--O 1.238 0.451 0 CA-C-N 116.288 -0.415 . . . . 51.41 110.757 179.453 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.404 ' HA ' ' HG3' ' A' ' 71' ' ' GLN . . . -57.34 -31.9 66.19 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.143 -0.481 . . . . 55.45 110.224 177.741 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -72.79 -29.52 65.17 Favored Glycine 0 N--CA 1.452 -0.268 0 CA-C-N 115.488 -0.778 . . . . 65.01 112.521 -178.152 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -96.86 -11.67 24.51 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.286 0.565 . . . . 73.33 109.555 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 16.7 m-80 -100.98 3.83 41.93 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.276 -0.874 . . . . 73.35 110.518 175.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 34.4 mmtt 60.8 23.99 13.93 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 115.196 -0.911 . . . . 70.5 111.041 172.284 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.404 ' HG3' ' HA ' ' A' ' 66' ' ' ALA . 4.8 pt20 -116.63 167.36 11.15 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.863 -0.608 . . . . 65.11 110.349 -178.602 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 15.7 p -131.51 124.72 30.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.831 0.348 . . . . 71.13 111.104 -179.401 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -109.55 140.45 22.14 Favored Pre-proline 0 C--N 1.324 -0.528 0 CA-C-N 115.636 -0.711 . . . . 63.13 110.144 177.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.426 ' HG2' ' O ' ' A' ' 104' ' ' PRO . 48.7 Cg_exo -57.47 126.76 22.95 Favored 'Trans proline' 0 C--N 1.348 0.537 0 C-N-CA 122.817 2.344 . . . . 75.32 112.441 -177.295 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -77.29 -1.78 31.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.225 0.536 . . . . 74.43 111.334 -179.331 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -85.76 14.61 5.66 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 121.607 0.717 . . . . 72.44 110.652 -178.72 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.495 ' HB ' HD23 ' A' ' 103' ' ' LEU . 6.8 t -88.62 168.28 12.67 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-N 115.692 -0.686 . . . . 73.42 112.111 -174.481 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 32.0 m -153.0 149.8 28.55 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 115.411 -0.813 . . . . 65.01 109.631 179.733 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.461 HG23 HD21 ' A' ' 59' ' ' LEU . 69.8 t -128.6 118.94 48.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 121.133 0.492 . . . . 73.54 109.945 176.04 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.502 ' HA ' ' HA ' ' B' ' 10' ' ' THR . 9.1 m -98.82 108.63 21.37 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 116.29 -0.414 . . . . 61.0 110.309 179.734 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -93.61 106.7 18.65 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.935 -0.575 . . . . 75.0 109.828 178.024 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.48 ' HG2' ' HD3' ' B' ' 6' ' ' LYS . 32.5 tt0 -109.84 108.71 19.12 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.401 -0.592 . . . . 74.0 109.401 -178.849 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.452 HG12 HG22 ' A' ' 97' ' ' VAL . 22.3 m -104.66 144.53 14.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 121.107 0.48 . . . . 74.25 111.229 -174.03 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -139.79 164.01 26.13 Favored Glycine 0 N--CA 1.441 -0.974 0 CA-C-N 115.51 -0.768 . . . . 64.22 111.762 179.531 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.43 HD11 ' CD2' ' A' ' 93' ' ' PHE . 0.0 OUTLIER -139.39 130.52 33.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 N-CA-C 109.272 -0.64 . . . . 71.32 109.272 -179.699 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . 0.445 ' HA2' ' HG ' ' B' ' 4' ' ' LEU . . . -144.19 169.89 26.15 Favored Glycine 0 CA--C 1.516 0.145 0 CA-C-N 115.398 -0.819 . . . . 64.2 111.119 179.058 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.686 ' HD3' ' HG ' ' B' ' 4' ' ' LEU . 88.3 Cg_endo -81.84 141.84 12.28 Favored 'Trans proline' 0 N--CA 1.458 -0.564 0 C-N-CA 122.249 1.966 . . . . 75.13 111.752 -179.075 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . 0.496 ' HB3' ' HB2' ' A' ' 94' ' ' ALA . 31.0 p30 -101.16 165.66 11.18 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.324 -0.398 . . . . 63.43 110.224 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -68.41 -13.1 62.06 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 116.493 -0.322 . . . . 74.31 111.416 -176.714 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -73.72 -24.84 59.97 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-O 121.05 0.452 . . . . 62.35 110.258 175.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.14 17.26 16.45 Favored Glycine 0 C--N 1.33 0.208 0 CA-C-N 115.855 -0.611 . . . . 52.42 112.192 -179.567 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -121.34 -152.18 8.71 Favored Glycine 0 N--CA 1.45 -0.43 0 N-CA-C 111.225 -0.75 . . . . 74.12 111.225 177.516 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.43 ' CD2' HD11 ' A' ' 85' ' ' ILE . 39.5 m-85 -104.47 157.34 17.22 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.934 0.397 . . . . 72.25 110.64 179.268 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.496 ' HB2' ' HB3' ' A' ' 88' ' ' ASN . . . -143.21 135.07 26.74 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.789 -0.641 . . . . 73.43 109.38 177.789 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -100.72 137.5 39.03 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.108 0.48 . . . . 75.45 111.251 -175.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -121.37 115.32 22.7 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.095 -0.957 . . . . 62.1 109.255 178.507 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.452 HG22 HG12 ' A' ' 83' ' ' VAL . 49.6 t -115.29 110.71 32.89 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 CA-C-O 120.889 0.376 . . . . 41.42 110.665 -178.33 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.433 ' HG2' ' HE ' ' A' ' 135' ' ' ARG . 47.2 mt-10 -93.42 111.19 22.78 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.812 -0.44 . . . . 51.52 109.812 176.751 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 72.4 mt -97.76 106.4 18.7 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.279 -0.637 . . . . 73.33 109.279 175.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.534 ' HA ' ' O ' ' A' ' 137' ' ' VAL . 71.2 mtt180 -101.6 109.78 21.65 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.047 -0.524 . . . . 73.43 110.019 -177.277 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 39.1 t -99.44 100.06 9.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 116.196 -0.456 . . . . 72.23 110.314 -174.22 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -91.65 101.34 13.97 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.555 -0.535 . . . . 73.1 109.555 179.481 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.495 HD23 ' HB ' ' A' ' 77' ' ' THR . 7.1 mt -114.02 118.94 41.73 Favored Pre-proline 0 C--N 1.327 -0.411 0 CA-C-N 115.33 -0.85 . . . . 73.31 110.322 -176.529 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . 0.426 ' O ' ' HG2' ' A' ' 74' ' ' PRO . 84.4 Cg_endo -80.26 155.44 22.22 Favored 'Trans proline' 0 N--CA 1.458 -0.596 0 C-N-CA 122.73 2.287 . . . . 73.52 111.986 179.743 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 64.57 15.17 59.13 Favored Glycine 0 CA--C 1.523 0.55 0 CA-C-N 115.809 -0.632 . . . . 54.45 112.819 -179.464 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.467 HD21 ' HA ' ' A' ' 111' ' ' ALA . 28.1 tp -129.49 140.7 51.2 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 122.797 0.439 . . . . 65.03 110.286 -176.732 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -73.98 162.54 28.94 Favored 'General case' 0 CA--C 1.51 -0.579 0 CA-C-N 116.346 -0.388 . . . . 72.42 111.058 -179.752 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -65.43 -45.51 83.56 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.532 -0.758 . . . . 74.35 110.042 170.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -63.43 -48.88 75.95 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 115.664 -0.698 . . . . 64.13 110.842 -176.113 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.585 ' O ' HG22 ' A' ' 113' ' ' THR . . . -67.28 -43.76 81.01 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.638 -0.71 . . . . 73.25 109.781 179.646 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . 0.467 ' HA ' HD21 ' A' ' 106' ' ' LEU . . . -54.61 -42.73 71.49 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 115.998 -0.546 . . . . 54.13 111.382 178.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 12.3 mmmm -53.42 -48.99 68.23 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 116.345 -0.389 . . . . 74.23 110.953 177.359 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . 0.585 HG22 ' O ' ' A' ' 110' ' ' ALA . 1.0 OUTLIER -72.38 -33.42 67.2 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.153 -0.476 . . . . 74.22 110.878 -176.018 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.547 ' HG ' ' O ' ' A' ' 110' ' ' ALA . 43.8 mt -67.93 -48.73 65.12 Favored 'General case' 0 N--CA 1.462 0.139 0 CA-C-N 116.437 -0.347 . . . . 61.01 110.612 -179.212 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.419 HG21 HG12 ' A' ' 138' ' ' VAL . 97.6 t -62.34 -37.05 77.7 Favored 'Isoleucine or valine' 0 C--O 1.242 0.684 0 CA-C-O 120.931 0.396 . . . . 72.22 110.116 177.739 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -59.05 -61.0 2.97 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 115.382 -0.826 . . . . 63.5 110.715 179.275 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 1.7 ptm180 -64.42 -35.33 80.55 Favored 'General case' 0 N--CA 1.456 -0.137 0 CA-C-N 116.02 -0.536 . . . . 65.24 110.549 -176.443 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -58.3 -48.91 78.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.043 -0.526 . . . . 63.41 110.497 177.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 63.7 m80 -76.16 -11.44 59.93 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 116.283 -0.417 . . . . 74.13 111.232 178.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 19.2 t-80 -87.32 -32.91 19.4 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.195 -0.457 . . . . 75.14 110.864 179.372 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.449 HG23 ' N ' ' A' ' 122' ' ' CYS . 28.0 m -89.99 -52.76 10.19 Favored 'Isoleucine or valine' 0 C--O 1.234 0.264 0 CA-C-N 116.607 -0.269 . . . . 74.54 111.342 -178.64 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' CYS . . . . . 0.449 ' N ' HG23 ' A' ' 121' ' ' VAL . 11.8 p -156.62 88.72 2.73 Favored Pre-proline 0 CA--C 1.533 0.325 0 O-C-N 122.306 -0.246 . . . . 72.12 111.63 -178.799 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . 0.487 ' HA ' ' HE2' ' A' ' 58' ' ' PHE . 73.2 Cg_endo -80.98 -53.81 0.04 OUTLIER 'Trans proline' 0 CA--C 1.537 0.631 0 C-N-CA 122.328 2.019 . . . . 74.45 112.022 173.845 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . 0.443 ' HD2' ' HA ' ' A' ' 124' ' ' TYR . 0.4 OUTLIER 177.04 -41.73 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.265 0 N-CA-C 106.662 -1.607 . . . . 65.44 106.662 178.396 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . 0.597 ' O ' HG22 ' A' ' 128' ' ' THR . 57.4 p -159.44 144.91 15.85 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 114.042 -1.435 . . . . 62.44 107.977 168.437 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 66.5 t30 -60.55 -31.8 70.89 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.604 0.716 . . . . 73.42 109.836 -179.324 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . 0.642 ' O ' ' HB3' ' A' ' 131' ' ' ASN . . . -81.25 6.7 13.29 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.033 -0.985 . . . . 54.1 112.066 -178.872 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . 0.597 HG22 ' O ' ' A' ' 125' ' ' SER . 1.7 t -96.06 -11.22 26.72 Favored 'General case' 0 N--CA 1.465 0.276 0 N-CA-C 108.841 -0.8 . . . . 73.21 108.841 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . 0.424 HH11 ' HD2' ' A' ' 129' ' ' ARG . 14.4 ptt180 -119.88 -40.96 2.69 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 115.283 -0.871 . . . . 72.04 110.873 -176.653 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' ASN . . . . . 0.419 ' N ' ' HG3' ' A' ' 129' ' ' ARG . 53.0 m-80 -78.2 -52.36 8.8 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 121.159 0.504 . . . . 71.52 110.652 177.646 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . 0.642 ' HB3' ' O ' ' A' ' 127' ' ' ALA . 60.1 t30 -68.42 -43.83 76.3 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 115.665 -0.698 . . . . 72.12 110.763 -177.777 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 29.5 t -97.12 133.21 39.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.803 -0.635 . . . . 70.22 110.108 -178.131 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -71.5 90.66 1.0 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.459 0.647 . . . . 45.42 110.85 -178.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 48.4 t -110.82 112.29 39.9 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.589 0 CA-C-N 115.181 -0.918 . . . . 75.02 110.678 178.546 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . 0.433 ' HE ' ' HG2' ' A' ' 98' ' ' GLU . 15.4 ttp180 -85.16 109.1 18.04 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.057 -0.974 . . . . 72.41 110.215 178.824 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 73.8 mt -81.11 120.92 25.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.721 -0.672 . . . . 50.04 110.689 178.323 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . 0.534 ' O ' ' HA ' ' A' ' 100' ' ' ARG . 0.1 OUTLIER -132.84 125.38 52.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.434 -0.803 . . . . 74.42 110.016 -178.036 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . 0.419 HG12 HG21 ' A' ' 115' ' ' VAL . 5.4 m -97.7 139.19 20.52 Favored 'Isoleucine or valine' 0 C--O 1.236 0.372 0 CA-C-O 121.455 0.645 . . . . 53.11 110.854 -178.275 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.314 -0.942 0 CA-C-N 115.169 -0.923 . . . . 73.13 110.788 -174.863 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.521 ' HE3' HD13 ' B' ' 3' ' ' ILE . 17.3 ptt? . . . . . 0 C--O 1.234 0.266 0 CA-C-O 120.778 0.323 . . . . 72.42 110.935 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 65.8 t30 -80.86 73.12 7.87 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-O 121.197 0.522 . . . . 61.35 110.623 -179.634 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . 0.521 HD13 ' HE3' ' B' ' 1' ' ' MET . 31.5 mm -61.14 126.27 18.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.517 -0.765 . . . . 72.42 111.672 176.342 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.686 ' HG ' ' HD3' ' A' ' 87' ' ' PRO . 92.6 mt -79.26 -48.77 13.58 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.63 -0.713 . . . . 75.25 110.377 176.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 5' ' ' TYR . . . . . . . . . . . . . 46.8 t80 -136.19 132.05 35.41 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.263 -0.426 . . . . 75.45 110.067 -176.041 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . 0.48 ' HD3' ' HG2' ' A' ' 82' ' ' GLU . 30.3 ttmt -140.22 134.77 31.58 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.017 0.437 . . . . 65.01 110.961 177.43 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 5.2 t -131.55 155.14 48.0 Favored 'General case' 0 C--O 1.238 0.453 0 CA-C-N 115.457 -0.792 . . . . 72.52 109.239 177.399 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . 0.479 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . . . -121.94 147.53 45.91 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.025 0.441 . . . . 64.22 111.186 -173.698 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -141.76 118.93 11.35 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.812 -0.631 . . . . 31.45 109.473 176.471 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . 0.502 ' HA ' ' HA ' ' A' ' 80' ' ' THR . 9.5 t -96.43 137.91 34.81 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.997 -0.547 . . . . 64.31 109.727 -177.791 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 76.0 p -124.69 113.42 17.96 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.998 0.428 . . . . 74.14 110.39 -178.748 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 4.9 m -98.82 157.6 16.18 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.005 0.431 . . . . 53.42 110.497 -179.053 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -81.72 74.86 2.4 Favored Glycine 0 N--CA 1.447 -0.614 0 N-CA-C 111.055 -0.818 . . . . 71.12 111.055 174.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -55.67 -104.77 0.01 OUTLIER Glycine 0 C--N 1.338 0.663 0 C-N-CA 121.465 -0.398 . . . . 73.4 112.455 179.279 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 15.4 mmm180 -88.98 -50.12 6.37 Favored 'General case' 0 C--N 1.328 -0.333 0 O-C-N 122.355 -0.497 . . . . 65.14 110.089 170.452 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 16' ' ' ASP . . . . . 0.537 ' HB3' ' HA ' ' B' ' 31' ' ' SER . 13.8 t70 -125.76 -42.65 1.9 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.754 -0.657 . . . . 65.33 109.331 176.085 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 17' ' ' GLY . . . . . 0.455 ' O ' ' HG3' ' B' ' 29' ' ' LYS . . . -162.17 154.08 24.94 Favored Glycine 0 C--N 1.339 0.729 0 C-N-CA 120.823 -0.703 . . . . 74.22 111.859 167.288 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 18' ' ' ARG . . . . . 0.638 ' HA ' ' HA ' ' B' ' 29' ' ' LYS . 41.5 ttm180 -132.89 146.9 52.21 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.508 -0.553 . . . . 74.4 109.508 175.336 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 19' ' ' ALA . . . . . 0.59 ' HB1' ' HB1' ' A' ' 52' ' ' ALA . . . -133.28 123.77 26.1 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.746 -0.465 . . . . 64.21 109.746 177.055 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 27.8 m -134.2 114.98 13.65 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.367 -0.379 . . . . 75.11 110.719 -174.354 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 21' ' ' SER . . . . . 0.563 ' HB3' ' N ' ' B' ' 26' ' ' LEU . 34.6 t -71.04 113.05 7.68 Favored 'General case' 0 C--O 1.248 0.996 0 N-CA-C 107.968 -1.123 . . . . 74.21 107.968 176.177 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 22' ' ' HIS . . . . . . . . . . . . . 53.5 t-80 -60.03 -15.91 26.68 Favored 'General case' 0 N--CA 1.471 0.581 0 O-C-N 126.159 2.162 . . . . 73.12 112.459 -167.454 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -80.53 11.59 3.63 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 110.08 -0.341 . . . . 63.54 110.08 175.314 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 31.2 mm-40 67.98 18.07 9.54 Favored 'General case' 0 C--N 1.342 0.261 0 CA-C-N 115.41 -0.814 . . . . 71.43 109.822 -178.63 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 34.1 mmtp -87.92 -20.05 26.47 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 115.224 -0.898 . . . . 41.25 110.92 -178.104 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . 0.563 ' N ' ' HB3' ' B' ' 21' ' ' SER . 54.9 tp -146.97 144.22 29.03 Favored 'General case' 0 CA--C 1.515 -0.381 0 C-N-CA 119.643 -0.823 . . . . 71.52 110.966 176.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -156.83 90.99 1.18 Allowed 'General case' 0 C--N 1.327 -0.38 0 O-C-N 123.591 0.557 . . . . 53.33 109.544 175.088 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . 0.415 ' O ' ' HG3' ' B' ' 18' ' ' ARG . 5.8 m -136.03 178.07 5.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.879 -0.6 . . . . 74.12 110.699 -179.191 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.638 ' HA ' ' HA ' ' B' ' 18' ' ' ARG . 7.6 ttpp -142.09 140.14 32.43 Favored 'General case' 0 C--N 1.319 -0.717 0 CA-C-N 115.778 -0.646 . . . . 64.31 110.333 -175.194 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . 0.656 ' HA ' ' H ' ' B' ' 44' ' ' THR . 0.0 OUTLIER -124.05 170.44 10.66 Favored 'General case' 0 C--O 1.248 1.013 0 CA-C-O 121.109 0.48 . . . . 72.32 111.078 179.112 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . 0.537 ' HA ' ' HB3' ' B' ' 16' ' ' ASP . 50.3 m -152.6 133.58 14.12 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 115.412 -0.813 . . . . 62.35 110.804 -176.187 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.88 141.93 95.09 Favored Pre-proline 0 C--O 1.244 0.763 0 CA-C-N 116.045 -0.525 . . . . 75.13 110.149 176.649 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 33' ' ' PRO . . . . . 0.52 ' HG3' ' ND2' ' B' ' 45' ' ' ASN . 64.5 Cg_exo -51.85 113.51 1.2 Allowed 'Trans proline' 0 C--N 1.348 0.539 0 C-N-CA 122.723 2.282 . . . . 71.3 112.37 -179.223 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 34' ' ' ARG . . . . . 0.584 ' HB2' ' HA3' ' B' ' 40' ' ' GLY . 0.0 OUTLIER -51.6 -32.58 29.31 Favored 'General case' 0 N--CA 1.445 -0.689 0 C-N-CA 123.134 0.574 . . . . 71.43 110.59 177.267 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 7.5 mp0 -52.02 -43.19 63.58 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.559 -0.746 . . . . 72.42 111.219 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 20.1 mt -89.25 -35.69 16.03 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.286 -0.87 . . . . 63.52 110.863 -173.16 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 151.61 38.71 0.03 OUTLIER Glycine 0 C--N 1.33 0.201 0 C-N-CA 121.026 -0.607 . . . . 51.22 112.463 178.506 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -113.17 -137.91 6.95 Favored Glycine 0 N--CA 1.446 -0.681 0 C-N-CA 120.831 -0.7 . . . . 64.12 111.494 -177.789 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 39' ' ' ALA . . . . . 0.462 ' C ' ' HG2' ' B' ' 34' ' ' ARG . . . -119.09 -17.34 8.99 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 111.527 0.195 . . . . 71.25 111.527 -177.631 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 40' ' ' GLY . . . . . 0.584 ' HA3' ' HB2' ' B' ' 34' ' ' ARG . . . 46.36 33.09 5.6 Favored Glycine 0 C--N 1.34 0.779 0 CA-C-O 121.763 0.646 . . . . 53.13 111.514 -174.539 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . 0.413 ' HB3' ' OG ' ' B' ' 31' ' ' SER . . . -83.84 -166.83 1.51 Allowed 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 114.294 -0.953 . . . . 45.11 112.368 -171.718 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -72.28 74.7 0.99 Allowed 'General case' 0 CA--C 1.514 -0.412 0 CA-C-N 114.955 -1.021 . . . . 74.14 110.052 178.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -161.92 -171.91 28.64 Favored Glycine 0 C--N 1.308 -0.974 0 CA-C-N 114.753 -1.112 . . . . 72.12 113.488 178.737 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 44' ' ' THR . . . . . 0.656 ' H ' ' HA ' ' B' ' 30' ' ' LEU . 9.5 t -115.3 171.86 7.43 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 123.072 0.549 . . . . 35.03 109.848 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 45' ' ' ASN . . . . . 0.52 ' ND2' ' HG3' ' B' ' 33' ' ' PRO . 17.1 m120 -74.88 117.5 63.08 Favored Pre-proline 0 C--N 1.33 -0.253 0 N-CA-C 110.184 -0.302 . . . . 71.14 110.184 178.18 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 46' ' ' PRO . . . . . . . . . . . . . 75.7 Cg_exo -51.98 -41.05 66.03 Favored 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 122.572 2.182 . . . . 54.41 111.375 173.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 47' ' ' GLU . . . . . 0.509 ' CD ' ' H ' ' B' ' 47' ' ' GLU . 2.8 mp0 -56.0 -50.84 69.73 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-O 121.74 0.781 . . . . 73.03 109.268 176.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . 0.527 ' OE1' HG23 ' A' ' 7' ' ' THR . 15.7 tp60 -69.04 -30.79 69.21 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 114.76 -1.109 . . . . 65.22 110.68 -177.084 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 49' ' ' LEU . . . . . 0.466 HD12 ' HA3' ' A' ' 53' ' ' GLY . 2.1 tm? -63.45 -53.91 44.75 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.312 -0.625 . . . . 73.15 109.312 179.63 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 40.1 t80 -58.85 -46.08 88.58 Favored 'General case' 0 C--O 1.226 -0.161 0 CA-C-N 116.472 -0.331 . . . . 74.53 110.213 176.307 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . 0.571 ' HB2' HG11 ' B' ' 83' ' ' VAL . . . -53.94 -52.65 59.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.163 -0.471 . . . . 63.22 111.63 -179.825 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -66.21 -46.86 75.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.007 -0.542 . . . . 74.31 110.728 -176.753 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . 0.561 ' HA3' HD12 ' A' ' 49' ' ' LEU . . . -62.73 -34.9 91.01 Favored Glycine 0 C--N 1.333 0.384 0 C-N-CA 121.027 -0.606 . . . . 73.22 111.895 179.26 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -69.91 -41.34 74.8 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 122.683 0.393 . . . . 73.14 110.166 177.705 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 55' ' ' SER . . . . . 0.505 ' OG ' ' HB2' ' B' ' 81' ' ' ALA . 48.9 m -61.89 -49.16 77.3 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.904 -0.406 . . . . 71.55 109.904 177.702 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 56' ' ' ALA . . . . . 0.568 ' HB1' HD21 ' A' ' 30' ' ' LEU . . . -62.52 -39.13 92.54 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.025 -0.534 . . . . 72.32 110.55 177.56 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 57' ' ' CYS . . . . . . . . . . . . . 41.9 t -61.86 -36.47 81.33 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.872 -0.604 . . . . 72.4 109.957 175.476 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 21.9 t80 -62.75 -39.8 95.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.723 -0.671 . . . . 52.32 110.152 -177.764 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -64.52 -41.22 96.53 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 116.058 -0.519 . . . . 64.41 110.444 176.159 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 60' ' ' SER . . . . . 0.441 ' O ' ' HB3' ' B' ' 63' ' ' LYS . 16.5 t -67.33 -42.3 83.83 Favored 'General case' 0 C--O 1.239 0.539 0 CA-C-O 121.25 0.548 . . . . 73.23 110.384 -179.444 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . 0.473 ' O ' HG23 ' B' ' 65' ' ' VAL . . . -60.86 -49.23 78.33 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.076 -0.511 . . . . 44.1 110.014 177.293 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 62' ' ' MET . . . . . 0.479 ' HA ' ' HB ' ' B' ' 65' ' ' VAL . 87.0 mmm -66.84 -27.08 67.26 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.225 -0.443 . . . . 71.0 110.599 177.792 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . 0.441 ' HB3' ' O ' ' B' ' 60' ' ' SER . 19.9 tptm -60.41 -48.9 79.77 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.009 -0.737 . . . . 72.03 109.009 175.776 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 47.1 t80 -69.79 -43.72 71.54 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 115.34 -0.846 . . . . 73.11 110.809 177.12 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . 0.479 ' HB ' ' HA ' ' B' ' 62' ' ' MET . 40.1 t -56.47 -45.45 81.94 Favored 'Isoleucine or valine' 0 C--O 1.233 0.234 0 CA-C-N 116.06 -0.518 . . . . 75.05 111.032 -178.693 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 66' ' ' ALA . . . . . 0.447 ' HA ' ' HG3' ' B' ' 71' ' ' GLN . . . -59.08 -32.43 69.79 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.239 0.542 . . . . 74.13 110.237 179.098 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -72.56 -25.17 74.83 Favored Glycine 0 N--CA 1.451 -0.323 0 CA-C-N 115.369 -0.832 . . . . 75.04 112.625 -176.643 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -98.97 -21.49 16.22 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 121.053 0.454 . . . . 64.5 109.8 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 18.8 m-80 -93.76 1.01 56.61 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.712 -0.676 . . . . 65.21 111.142 -178.376 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 70' ' ' LYS . . . . . 0.415 ' HD3' ' N ' ' B' ' 70' ' ' LYS . 21.9 mmtm 65.55 24.14 11.78 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 115.624 -0.717 . . . . 73.12 111.13 172.256 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . 0.447 ' HG3' ' HA ' ' B' ' 66' ' ' ALA . 2.8 pt20 -114.17 167.74 10.42 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.616 -0.72 . . . . 74.24 110.374 -179.524 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 21.4 p -128.19 132.22 48.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 74.12 110.939 -176.711 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . 0.463 ' HA ' ' HD3' ' B' ' 74' ' ' PRO . 87.1 mt -109.58 139.61 21.34 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 75.15 110.857 -177.608 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 74' ' ' PRO . . . . . 0.463 ' HD3' ' HA ' ' B' ' 73' ' ' LEU . 19.1 Cg_exo -67.47 132.52 27.5 Favored 'Trans proline' 0 C--N 1.349 0.587 0 C-N-CA 122.999 2.466 . . . . 62.01 111.751 176.478 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -76.77 -1.56 28.72 Favored 'General case' 0 N--CA 1.465 0.308 0 N-CA-C 112.063 0.394 . . . . 71.53 112.063 -176.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -92.14 3.95 54.22 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-O 121.358 0.599 . . . . 60.22 110.973 -178.501 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 77' ' ' THR . . . . . 0.6 ' HB ' HD22 ' B' ' 103' ' ' LEU . 5.3 t -72.78 152.56 41.53 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-N 116.185 -0.461 . . . . 73.25 111.426 -177.346 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 2.6 p -140.08 154.17 46.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.791 -0.64 . . . . 71.23 110.889 178.534 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 74.2 t -131.12 119.06 43.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 115.583 -0.735 . . . . 54.24 109.338 175.528 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 80' ' ' THR . . . . . 0.502 ' HB ' ' HB3' ' B' ' 100' ' ' ARG . 4.4 m -98.68 109.72 22.44 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.94 -0.573 . . . . 72.42 110.243 -178.412 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 81' ' ' ALA . . . . . 0.522 ' HB1' ' HB1' ' B' ' 51' ' ' ALA . . . -93.34 104.58 16.73 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.156 -0.475 . . . . 73.43 110.112 178.792 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 82' ' ' GLU . . . . . 0.459 ' HA ' ' HA ' ' A' ' 8' ' ' ALA . 34.3 tt0 -107.31 107.69 18.72 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.195 -0.669 . . . . 71.23 109.195 179.386 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . 0.571 HG11 ' HB2' ' B' ' 51' ' ' ALA . 23.9 m -107.88 141.72 22.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 121.011 0.434 . . . . 71.44 111.322 -173.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 84' ' ' GLY . . . . . 0.449 ' HA2' ' HA ' ' A' ' 6' ' ' LYS . . . -138.38 165.43 25.49 Favored Glycine 0 N--CA 1.441 -1.014 0 CA-C-N 115.699 -0.682 . . . . 52.45 111.586 179.48 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -146.43 136.37 17.53 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.809 0 N-CA-C 109.411 -0.589 . . . . 73.1 109.411 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 86' ' ' GLY . . . . . 0.49 ' HA2' ' HG ' ' A' ' 4' ' ' LEU . . . -148.45 170.02 29.0 Favored Glycine 0 C--N 1.328 0.089 0 O-C-N 123.659 0.6 . . . . 52.3 111.962 -178.548 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 87' ' ' PRO . . . . . 0.803 ' HD3' ' HG ' ' A' ' 4' ' ' LEU . 7.6 Cg_exo -69.86 117.28 5.0 Favored 'Trans proline' 0 N--CA 1.459 -0.511 0 C-N-CA 122.583 2.188 . . . . 61.3 110.766 -178.406 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 88' ' ' ASN . . . . . . . . . . . . . 50.3 t-20 -71.96 137.64 47.47 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 109.069 -0.715 . . . . 72.3 109.069 178.783 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -65.26 -11.56 42.59 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.236 0.541 . . . . 65.22 110.669 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -67.15 -22.11 65.79 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 115.476 -0.783 . . . . 74.05 110.468 171.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.59 34.82 3.46 Favored Glycine 0 C--N 1.329 0.171 0 CA-C-N 115.675 -0.693 . . . . 72.2 112.005 -177.488 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . -151.49 -133.72 2.05 Favored Glycine 0 N--CA 1.452 -0.275 0 N-CA-C 111.275 -0.73 . . . . 70.13 111.275 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 93' ' ' PHE . . . . . 0.419 ' HE1' ' CZ ' ' A' ' 64' ' ' PHE . 39.7 m-85 -127.51 148.04 50.32 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 117.105 0.452 . . . . 73.12 110.394 179.621 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -132.71 136.49 46.44 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.873 -0.603 . . . . 62.21 109.798 -179.35 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -99.82 123.66 44.31 Favored 'General case' 0 C--N 1.331 -0.214 0 O-C-N 123.675 0.61 . . . . 74.21 110.533 -178.74 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 96' ' ' ASP . . . . . 0.457 ' HB2' ' SD ' ' A' ' 1' ' ' MET . 37.2 t70 -110.16 110.28 21.09 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.477 -0.783 . . . . 73.53 109.37 178.685 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 97' ' ' VAL . . . . . 0.833 ' HB ' HG22 ' B' ' 134' ' ' VAL . 57.3 t -112.98 110.8 33.53 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.883 0 CA-C-O 120.577 0.227 . . . . 65.34 111.127 -176.244 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 98' ' ' GLU . . . . . 0.567 ' HG2' ' HB3' ' B' ' 135' ' ' ARG . 43.8 mt-10 -96.5 107.16 19.52 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 110.091 -0.337 . . . . 74.42 110.091 177.314 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 76.9 mt -94.46 108.13 20.07 Favored 'General case' 0 C--O 1.236 0.342 0 CA-C-N 116.244 -0.435 . . . . 61.12 110.091 179.354 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 100' ' ' ARG . . . . . 0.546 ' HA ' ' O ' ' B' ' 137' ' ' VAL . 34.9 ttt-85 -99.46 118.03 35.17 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.736 -0.665 . . . . 64.11 110.149 -176.253 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 101' ' ' VAL . . . . . . . . . . . . . 98.1 t -106.75 109.68 28.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.263 -0.426 . . . . 60.12 111.18 -175.692 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 102' ' ' ALA . . . . . 0.524 ' HA ' ' HB3' ' B' ' 139' ' ' ALA . . . -105.48 101.05 10.6 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.981 0.419 . . . . 53.32 109.961 175.023 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 103' ' ' LEU . . . . . 0.665 ' HB3' HD23 ' B' ' 106' ' ' LEU . 2.7 tm? -111.58 115.12 51.93 Favored Pre-proline 0 C--N 1.328 -0.363 0 N-CA-C 107.971 -1.122 . . . . 72.24 107.971 177.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 104' ' ' PRO . . . . . 0.518 ' HD2' HD22 ' B' ' 103' ' ' LEU . 38.8 Cg_endo -69.19 145.01 59.05 Favored 'Trans proline' 0 N--CA 1.46 -0.443 0 C-N-CA 122.199 1.932 . . . . 74.24 112.856 -174.628 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 105' ' ' GLY . . . . . . . . . . . . . . . 73.82 15.13 79.63 Favored Glycine 0 CA--C 1.519 0.295 0 CA-C-N 115.366 -0.834 . . . . 72.34 112.139 -178.234 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 106' ' ' LEU . . . . . 0.665 HD23 ' HB3' ' B' ' 103' ' ' LEU . 42.8 tp -124.53 140.77 52.63 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-O 120.769 0.319 . . . . 60.53 111.054 -176.728 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -79.24 165.04 23.66 Favored 'General case' 0 CA--C 1.512 -0.483 0 CA-C-N 115.948 -0.569 . . . . 63.12 110.804 -179.505 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 108' ' ' ALA . . . . . 0.568 ' O ' ' HG3' ' B' ' 112' ' ' LYS . . . -65.71 -46.55 78.53 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.876 -0.602 . . . . 34.32 109.437 169.635 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -56.64 -51.19 69.64 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 115.564 -0.744 . . . . 64.51 111.273 -176.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 110' ' ' ALA . . . . . 0.483 ' O ' HG22 ' B' ' 113' ' ' THR . . . -71.51 -42.52 67.9 Favored 'General case' 0 C--O 1.238 0.49 0 CA-C-N 115.957 -0.565 . . . . 72.03 110.4 -179.489 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 111' ' ' ALA . . . . . 0.44 ' HA ' HD21 ' B' ' 106' ' ' LEU . . . -54.59 -37.39 65.48 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.059 -0.519 . . . . 64.14 111.108 178.872 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 112' ' ' LYS . . . . . 0.568 ' HG3' ' O ' ' B' ' 108' ' ' ALA . 29.2 mtpp -53.1 -49.32 66.69 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.483 -0.326 . . . . 74.45 110.947 178.094 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 113' ' ' THR . . . . . 0.483 HG22 ' O ' ' B' ' 110' ' ' ALA . 1.2 t -74.5 -36.22 63.24 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.351 -0.386 . . . . 72.03 110.615 -176.479 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 48.2 mt -65.6 -46.3 79.88 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 120.849 0.356 . . . . 70.23 110.616 -179.231 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 115' ' ' VAL . . . . . 0.421 HG23 ' O ' ' B' ' 111' ' ' ALA . 86.1 t -66.09 -33.65 64.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.023 -0.535 . . . . 63.55 110.146 177.504 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 23.7 t0 -63.18 -56.74 14.16 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 115.93 -0.577 . . . . 75.43 111.047 178.732 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 117' ' ' ARG . . . . . 0.425 ' HG2' ' O ' ' B' ' 113' ' ' THR . 14.7 ptm180 -64.93 -35.02 79.83 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-O 121.178 0.513 . . . . 70.2 110.4 -177.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -61.59 -36.47 80.77 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.674 -0.694 . . . . 61.11 109.818 174.469 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 119' ' ' HIS . . . . . 0.675 ' HA ' ' HB2' ' B' ' 125' ' ' SER . 19.5 m-70 -81.73 13.77 3.01 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 116.061 -0.518 . . . . 74.31 112.137 174.331 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 67.4 m170 -106.66 -50.95 3.02 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-O 120.983 0.421 . . . . 61.52 110.807 174.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 32.0 m -84.81 27.53 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.491 0 N-CA-C 113.504 0.927 . . . . 63.42 113.504 -168.114 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 122' ' ' CYS . . . . . 0.499 ' HB2' ' OG ' ' B' ' 125' ' ' SER . 84.7 m -144.26 139.79 16.15 Favored Pre-proline 0 CA--C 1.534 0.362 0 O-C-N 122.221 -0.3 . . . . 74.53 110.776 179.272 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 123' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_endo -61.22 -43.3 29.78 Favored 'Trans proline' 0 C--N 1.352 0.76 0 C-N-CA 122.752 2.301 . . . . 65.25 111.886 -179.487 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 124' ' ' TYR . . . . . . . . . . . . . 55.7 m-85 -57.64 -41.59 81.73 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 121.27 0.557 . . . . 65.35 110.395 178.517 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 125' ' ' SER . . . . . 0.675 ' HB2' ' HA ' ' B' ' 119' ' ' HIS . 45.3 p -80.51 -30.45 37.26 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.708 -0.678 . . . . 64.23 111.973 -172.236 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 126' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 -62.03 -48.55 79.78 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-O 121.284 0.564 . . . . 74.24 109.859 175.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 127' ' ' ALA . . . . . 0.576 ' O ' ' HB3' ' B' ' 131' ' ' ASN . . . -73.33 -14.53 61.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.304 -0.862 . . . . 65.3 112.005 -177.104 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 128' ' ' THR . . . . . 0.461 HG22 ' O ' ' B' ' 125' ' ' SER . 1.4 t -95.74 -12.37 25.53 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.149 -0.685 . . . . 55.14 109.149 -170.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 129' ' ' ARG . . . . . 0.451 ' HG2' ' O ' ' B' ' 125' ' ' SER . 14.8 ptm180 -112.14 -46.62 3.18 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 115.594 -0.73 . . . . 75.21 110.603 -176.007 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 130' ' ' ASN . . . . . . . . . . . . . 53.3 m-80 -78.82 -39.84 34.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.149 0.5 . . . . 74.14 111.322 179.072 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 131' ' ' ASN . . . . . 0.576 ' HB3' ' O ' ' B' ' 127' ' ' ALA . 0.2 OUTLIER -94.68 -38.77 10.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.775 -0.648 . . . . 75.43 111.148 -172.371 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 132' ' ' VAL . . . . . 0.402 HG23 ' O ' ' B' ' 127' ' ' ALA . 47.4 t -112.4 153.84 13.97 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.426 0 CA-C-O 120.723 0.297 . . . . 52.13 111.235 -172.363 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 133' ' ' ALA . . . . . . . . . . . . . . . -84.96 95.2 8.98 Favored 'General case' 0 C--O 1.239 0.5 0 CA-C-O 121.57 0.7 . . . . 72.23 110.937 -179.756 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 134' ' ' VAL . . . . . 0.833 HG22 ' HB ' ' B' ' 97' ' ' VAL . 77.2 t -125.33 113.53 35.73 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.469 0 CA-C-N 115.182 -0.917 . . . . 61.1 111.196 -177.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 135' ' ' ARG . . . . . 0.567 ' HB3' ' HG2' ' B' ' 98' ' ' GLU . 17.4 tpt180 -74.33 110.95 9.04 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.389 -0.823 . . . . 74.32 109.862 175.383 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 40.5 mt -81.62 109.44 16.06 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.05 0.452 . . . . 72.41 110.193 175.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 137' ' ' VAL . . . . . 0.546 ' O ' ' HA ' ' B' ' 100' ' ' ARG . 0.2 OUTLIER -119.53 116.36 50.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.626 -0.715 . . . . 72.22 110.04 -179.006 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 138' ' ' VAL . . . . . . . . . . . . . 4.2 m -99.17 138.62 23.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.999 -0.546 . . . . 70.52 109.635 179.314 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 139' ' ' ALA . . . . . 0.524 ' HB3' ' HA ' ' B' ' 102' ' ' ALA . . . . . . . . 0 C--O 1.251 1.158 0 CA-C-N 115.775 -0.648 . . . . 71.35 110.419 -175.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.406 ' HE3' HD13 ' A' ' 3' ' ' ILE . 19.0 ptt? . . . . . 0 N--CA 1.481 1.105 0 N-CA-C 110.337 -0.246 . . . . 71.43 110.337 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 41.4 t30 -76.36 74.36 3.13 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-O 121.335 0.588 . . . . 75.52 110.436 177.373 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.53 HG21 ' HB2' ' A' ' 6' ' ' LYS . 30.8 mm -70.74 131.7 34.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.48 -0.782 . . . . 51.02 111.114 174.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.709 ' HG ' ' HD3' ' B' ' 87' ' ' PRO . 88.9 mt -86.62 -43.45 12.64 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.931 -0.577 . . . . 74.21 110.122 176.068 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 43.6 t80 -138.31 130.06 28.07 Favored 'General case' 0 C--O 1.222 -0.366 0 CA-C-N 115.934 -0.576 . . . . 54.43 110.112 -177.366 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.53 ' HB2' HG21 ' A' ' 3' ' ' ILE . 28.4 ttmt -143.6 130.7 20.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.772 0.32 . . . . 62.42 111.108 177.456 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 9.3 t -125.46 148.8 48.7 Favored 'General case' 0 C--O 1.238 0.453 0 CA-C-N 115.843 -0.617 . . . . 73.02 109.89 179.281 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.476 ' HA ' ' HA ' ' B' ' 82' ' ' GLU . . . -110.9 155.59 22.41 Favored 'General case' 0 C--O 1.238 0.455 0 CA-C-O 121.237 0.541 . . . . 64.34 112.076 -176.182 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.563 ' HA ' ' HA ' ' A' ' 21' ' ' SER . . . -153.5 116.97 4.65 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.226 -0.897 . . . . 65.14 109.662 176.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.541 ' HA ' ' HA ' ' B' ' 80' ' ' THR . 14.4 t -102.63 142.89 33.04 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.833 -0.432 . . . . 73.43 109.833 -179.249 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.449 ' HA ' ' O ' ' A' ' 18' ' ' ARG . 23.3 p -127.84 113.78 16.37 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.157 0.504 . . . . 71.32 111.057 -177.627 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.432 ' HB ' ' HB3' ' A' ' 18' ' ' ARG . 3.0 m -81.32 157.45 25.08 Favored 'General case' 0 C--O 1.248 0.99 0 CA-C-N 115.927 -0.579 . . . . 72.12 110.717 177.213 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -72.94 73.34 1.03 Allowed Glycine 0 N--CA 1.444 -0.817 0 CA-C-N 115.542 -0.754 . . . . 62.44 112.367 175.57 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -67.64 -169.19 4.38 Favored Glycine 0 C--N 1.332 0.319 0 C-N-CA 120.949 -0.643 . . . . 62.02 111.698 171.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 10.6 mpt_? -51.48 -46.68 63.21 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 116.991 0.395 . . . . 73.04 110.397 178.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.566 ' HB3' ' HA ' ' A' ' 31' ' ' SER . 19.5 t70 -125.8 -43.05 1.87 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.985 -0.552 . . . . 74.22 109.6 173.852 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -163.85 144.89 9.86 Favored Glycine 0 C--N 1.345 1.082 0 C-N-CA 120.136 -1.03 . . . . 73.12 111.957 165.307 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.449 ' O ' ' HA ' ' A' ' 11' ' ' SER . 4.0 tmt_? -123.84 100.65 6.86 Favored 'General case' 0 C--O 1.221 -0.42 0 CA-C-N 117.448 0.624 . . . . 73.24 109.343 179.196 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.44 ' HB1' ' HB1' ' B' ' 52' ' ' ALA . . . -104.33 139.75 38.86 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 121.172 0.51 . . . . 71.12 111.236 -170.271 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.419 ' OG1' ' NH1' ' A' ' 18' ' ' ARG . 24.3 m -149.75 113.23 4.98 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 116.026 -0.534 . . . . 63.53 110.84 -177.869 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.563 ' HA ' ' HA ' ' A' ' 9' ' ' ALA . 47.9 t -69.83 111.31 5.48 Favored 'General case' 0 C--O 1.246 0.889 0 N-CA-C 107.951 -1.129 . . . . 62.3 107.951 177.834 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.41 ' C ' ' H ' ' A' ' 24' ' ' GLN . 57.2 t-80 -55.51 -24.44 31.71 Favored 'General case' 0 C--N 1.347 0.466 0 O-C-N 126.207 2.192 . . . . 71.44 112.835 -166.457 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.413 ' HB2' ' HZ3' ' A' ' 25' ' ' LYS . 14.7 m-20 -80.47 16.92 1.19 Allowed 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.646 -0.501 . . . . 73.43 109.646 178.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.41 ' H ' ' C ' ' A' ' 22' ' ' HIS . 28.2 mm-40 69.27 20.35 7.48 Favored 'General case' 0 CA--C 1.521 -0.155 0 CA-C-N 115.432 -0.804 . . . . 72.53 109.989 177.387 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.413 ' HZ3' ' HB2' ' A' ' 23' ' ' ASP . 26.9 mtmm -86.21 -25.49 25.6 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 115.428 -0.806 . . . . 73.44 111.106 -179.787 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.543 ' N ' ' HB3' ' A' ' 21' ' ' SER . 55.9 tp -145.98 148.16 32.45 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 119.848 -0.741 . . . . 74.42 111.202 -178.422 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -161.32 91.44 0.85 Allowed 'General case' 0 CA--C 1.534 0.338 0 O-C-N 123.734 0.646 . . . . 74.13 109.849 179.702 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.417 HG22 HD11 ' A' ' 26' ' ' LEU . 4.2 m -148.88 178.09 0.79 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.464 0 CA-C-O 121.778 0.799 . . . . 62.12 111.838 178.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -121.7 148.12 45.02 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 114.752 -1.113 . . . . 62.42 109.163 176.136 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.732 ' HA ' ' H ' ' A' ' 44' ' ' THR . 0.0 OUTLIER -127.96 156.07 43.25 Favored 'General case' 0 C--O 1.254 1.333 0 N-CA-C 110.064 -0.347 . . . . 64.12 110.064 173.366 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.566 ' HA ' ' HB3' ' A' ' 16' ' ' ASP . 49.0 m -160.07 140.42 11.76 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 115.227 -0.897 . . . . 75.34 111.257 -175.333 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.33 146.46 88.97 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 115.665 -0.698 . . . . 52.21 109.495 173.555 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_endo -67.04 14.69 0.13 Allowed 'Trans proline' 0 CA--C 1.537 0.673 0 C-N-CA 123.192 2.595 . . . . 73.33 114.712 -169.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.484 ' HA ' ' H ' ' A' ' 38' ' ' GLY . 0.0 OUTLIER 71.8 -37.12 0.38 Allowed 'General case' 0 CA--C 1.539 0.541 0 N-CA-C 112.988 0.736 . . . . 50.12 112.988 177.011 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -48.31 -31.76 6.46 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-O 121.556 0.693 . . . . 75.14 111.495 179.085 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 13.4 mt -108.79 17.71 21.55 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.161 -0.927 . . . . 63.44 110.958 -171.225 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 80.94 54.25 3.68 Favored Glycine 0 CA--C 1.52 0.345 0 C-N-CA 121.03 -0.605 . . . . 72.22 111.606 -176.239 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.484 ' H ' ' HA ' ' A' ' 34' ' ' ARG . . . -83.42 -88.22 0.77 Allowed Glycine 0 C--N 1.332 0.322 0 C-N-CA 121.357 -0.449 . . . . 73.44 112.973 -176.403 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -167.41 -42.93 0.02 OUTLIER 'General case' 0 C--O 1.233 0.219 0 CA-C-O 120.869 0.366 . . . . 63.22 111.2 179.099 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 96.5 64.09 0.93 Allowed Glycine 0 C--O 1.235 0.179 0 N-CA-C 110.614 -0.995 . . . . 45.53 110.614 -176.034 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.458 ' HB3' ' OG ' ' A' ' 31' ' ' SER . . . -136.01 176.65 8.5 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.247 0.546 . . . . 44.21 111.833 -174.669 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -103.04 80.23 1.84 Allowed 'General case' 0 CA--C 1.514 -0.418 0 CA-C-N 115.021 -0.991 . . . . 71.23 109.642 -178.053 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -144.59 -164.93 10.8 Favored Glycine 0 C--N 1.31 -0.908 0 CA-C-N 114.478 -1.237 . . . . 55.55 112.603 -179.722 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.732 ' H ' ' HA ' ' A' ' 30' ' ' LEU . 12.2 t -111.58 150.56 29.86 Favored 'General case' 0 C--O 1.234 0.262 0 N-CA-C 109.057 -0.72 . . . . 74.01 109.057 178.875 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.58 ' HB2' ' HB3' ' A' ' 48' ' ' GLN . 1.5 m-20 -65.92 138.89 96.54 Favored Pre-proline 0 C--N 1.325 -0.492 0 N-CA-C 110.339 -0.245 . . . . 72.33 110.339 -176.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 45' ' ' ASN . 31.4 Cg_exo -59.65 -58.16 0.67 Allowed 'Trans proline' 0 C--N 1.349 0.572 0 C-N-CA 123.039 2.493 . . . . 63.04 112.941 -175.351 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.11 -31.28 72.06 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-O 120.913 0.387 . . . . 62.13 110.299 -177.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.58 ' HB3' ' HB2' ' A' ' 45' ' ' ASN . 34.0 tt0 -63.13 -44.42 95.63 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 115.843 -0.617 . . . . 72.35 110.308 174.289 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.435 HD12 ' HA3' ' B' ' 53' ' ' GLY . 3.4 tm? -61.22 -50.31 73.61 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.308 -0.86 . . . . 71.11 109.805 -179.31 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 39.8 t80 -59.2 -49.4 77.99 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 115.97 -0.559 . . . . 64.45 110.544 178.31 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.452 ' HB2' ' CG1' ' A' ' 83' ' ' VAL . . . -53.41 -53.15 55.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.277 -0.419 . . . . 52.03 111.827 177.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.58 -45.76 90.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 51.43 110.998 -178.452 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.562 ' HA3' HD12 ' B' ' 49' ' ' LEU . . . -65.77 -40.57 95.74 Favored Glycine 0 C--N 1.333 0.399 0 CA-C-N 115.917 -0.583 . . . . 45.35 112.33 -179.576 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -69.73 -39.07 77.03 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 110.111 -0.329 . . . . 71.4 110.111 179.622 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 31.2 t -63.52 -47.71 80.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.072 0.463 . . . . 50.31 109.834 178.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.515 ' HB1' HD21 ' B' ' 30' ' ' LEU . . . -64.27 -44.6 91.22 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.84 -0.618 . . . . 72.41 110.515 178.327 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 42.0 t -60.19 -36.67 78.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.899 -0.591 . . . . 74.4 110.006 177.298 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 33.5 t80 -62.66 -50.13 72.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.529 -0.76 . . . . 64.12 110.747 -177.017 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.53 HD12 ' N ' ' A' ' 60' ' ' SER . 4.5 pp -69.23 -37.65 78.13 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 116.462 -0.335 . . . . 74.12 111.024 -177.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.53 ' N ' HD12 ' A' ' 59' ' ' LEU . 50.1 m -68.58 -38.61 80.81 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-O 120.803 0.335 . . . . 74.4 110.55 177.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.24 -42.28 84.23 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.005 0.431 . . . . 64.15 110.04 178.164 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 4.7 tpt -61.26 -40.83 95.54 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 115.688 -0.687 . . . . 61.32 109.847 177.028 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 48.8 tptt -63.38 -42.67 98.85 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 115.626 -0.716 . . . . 62.32 109.895 177.477 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.408 ' CZ ' ' HE1' ' B' ' 93' ' ' PHE . 87.1 t80 -61.08 -49.18 78.36 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 115.811 -0.631 . . . . 70.35 110.467 177.655 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 54.0 t -53.43 -48.68 57.0 Favored 'Isoleucine or valine' 0 C--O 1.235 0.319 0 CA-C-N 115.946 -0.57 . . . . 51.41 110.433 177.628 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -53.56 -34.79 59.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.908 -0.587 . . . . 55.45 110.493 178.591 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -69.28 -31.66 71.79 Favored Glycine 0 N--CA 1.45 -0.394 0 CA-C-N 115.43 -0.805 . . . . 65.01 112.267 -177.204 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.42 ' HG3' HD22 ' A' ' 69' ' ' ASN . 12.6 pt20 -98.75 -7.32 27.81 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.34 0.591 . . . . 73.33 109.549 -179.126 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.42 HD22 ' HG3' ' A' ' 68' ' ' GLN . 1.1 m-80 -100.95 3.75 41.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.245 -0.888 . . . . 73.35 110.5 176.511 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 33.4 mmtt 65.47 23.6 11.9 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 115.131 -0.94 . . . . 70.5 111.129 170.51 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -119.45 166.87 12.53 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.58 -0.736 . . . . 65.11 110.329 -179.089 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 19.9 p -122.23 128.88 51.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.478 -0.328 . . . . 71.13 111.421 -178.296 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 89.8 mt -109.79 137.97 20.56 Favored Pre-proline 0 C--N 1.326 -0.453 0 CA-C-N 115.945 -0.57 . . . . 63.13 110.526 177.158 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.4 ' O ' HG22 ' A' ' 77' ' ' THR . 45.9 Cg_exo -59.22 142.01 98.65 Favored 'Trans proline' 0 C--N 1.35 0.627 0 C-N-CA 123.276 2.651 . . . . 75.32 113.224 -176.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -77.45 -9.24 58.77 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.522 0.677 . . . . 74.43 110.603 174.438 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -85.21 16.65 3.45 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.127 -0.942 . . . . 72.44 111.255 -176.433 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.435 ' HB ' HD23 ' A' ' 103' ' ' LEU . 7.5 t -95.25 161.0 14.28 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.118 0.485 . . . . 73.42 111.512 -176.472 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 26.3 m -150.68 149.38 29.75 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.808 -0.633 . . . . 65.01 109.819 179.567 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 97.5 t -129.59 121.12 52.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 N-CA-C 109.446 -0.576 . . . . 73.54 109.446 176.252 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 38.8 m -105.38 115.5 30.36 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.659 -0.7 . . . . 61.0 110.787 -177.355 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -102.56 105.22 15.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.757 -0.656 . . . . 75.0 109.7 178.06 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.482 ' HA ' ' HA ' ' B' ' 8' ' ' ALA . 44.0 tt0 -104.79 113.02 26.35 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 110.075 -0.343 . . . . 74.0 110.075 -179.668 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.712 HG12 ' HB ' ' A' ' 97' ' ' VAL . 11.0 m -104.46 137.27 34.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 121.205 0.526 . . . . 74.25 111.695 -176.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.423 ' HA2' ' HA ' ' B' ' 6' ' ' LYS . . . -133.16 160.04 23.78 Favored Glycine 0 N--CA 1.442 -0.947 0 CA-C-N 115.363 -0.835 . . . . 64.22 111.497 174.418 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -143.8 136.64 23.94 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.761 0 N-CA-C 109.178 -0.675 . . . . 71.32 109.178 179.088 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . 0.402 ' HA2' ' HG ' ' B' ' 4' ' ' LEU . . . -153.41 170.01 32.23 Favored Glycine 0 C--O 1.228 -0.22 0 N-CA-C 111.472 -0.651 . . . . 64.2 111.472 -177.723 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.728 ' HD3' ' HG ' ' B' ' 4' ' ' LEU . 3.1 Cg_exo -73.62 135.0 21.18 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.489 2.126 . . . . 75.13 111.385 -178.65 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . 0.525 ' HB2' ' HB2' ' A' ' 94' ' ' ALA . 19.2 t-20 -88.3 149.14 23.95 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.644 -0.502 . . . . 63.43 109.644 178.448 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -63.02 -13.49 36.06 Favored 'General case' 0 N--CA 1.466 0.372 0 O-C-N 123.194 0.309 . . . . 74.31 111.45 -178.167 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -67.16 -24.29 65.87 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-O 121.149 0.5 . . . . 62.35 110.589 174.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.13 34.97 3.53 Favored Glycine 0 CA--C 1.516 0.146 0 CA-C-N 115.822 -0.626 . . . . 52.42 111.799 -175.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -148.31 -144.53 3.99 Favored Glycine 0 C--N 1.33 0.233 0 N-CA-C 111.202 -0.759 . . . . 74.12 111.202 -179.476 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 31.5 m-85 -105.99 164.68 11.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 117.124 0.462 . . . . 72.25 111.045 178.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.525 ' HB2' ' HB2' ' A' ' 88' ' ' ASN . . . -149.29 131.56 15.53 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 108.88 -0.785 . . . . 73.43 108.88 177.548 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -100.17 146.8 26.41 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.128 0.49 . . . . 75.45 111.16 -177.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -137.09 132.03 33.52 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 114.567 -1.197 . . . . 62.1 108.603 -177.356 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.741 HG13 HG22 ' A' ' 134' ' ' VAL . 0.6 OUTLIER -146.77 122.06 2.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 121.475 0.655 . . . . 41.42 111.642 174.883 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -100.06 123.04 43.85 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.212 -0.904 . . . . 51.52 110.023 -179.117 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 73.1 mt -105.46 106.48 17.0 Favored 'General case' 0 C--O 1.233 0.225 0 N-CA-C 109.765 -0.457 . . . . 73.33 109.765 175.452 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.474 ' HA ' HG13 ' A' ' 137' ' ' VAL . 12.5 ttt85 -103.62 107.8 18.81 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.254 -0.885 . . . . 73.43 109.388 -175.822 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 53.3 t -102.5 97.47 5.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 120.627 0.251 . . . . 72.23 110.612 -172.158 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -91.91 101.25 13.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.908 0.385 . . . . 73.1 110.337 -179.322 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.435 HD23 ' HB ' ' A' ' 77' ' ' THR . 3.4 mt -116.42 116.95 38.91 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 115.924 -0.58 . . . . 73.31 110.023 -179.389 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -74.47 149.37 39.28 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.439 2.093 . . . . 73.52 112.38 -179.419 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 68.92 15.11 68.87 Favored Glycine 0 CA--C 1.523 0.59 0 CA-C-N 115.644 -0.707 . . . . 54.45 113.122 -179.635 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.436 HD21 ' HA ' ' A' ' 111' ' ' ALA . 37.3 tp -121.7 141.96 50.64 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 120.75 0.309 . . . . 65.03 111.018 -176.641 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -76.42 164.3 26.12 Favored 'General case' 0 CA--C 1.513 -0.471 0 CA-C-N 116.126 -0.488 . . . . 72.42 110.793 178.777 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.448 ' O ' ' HG3' ' A' ' 112' ' ' LYS . . . -68.63 -45.61 71.41 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.27 -0.877 . . . . 74.35 109.908 170.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -64.36 -42.21 96.32 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 115.4 -0.818 . . . . 64.13 110.906 -175.42 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.505 ' O ' HG22 ' A' ' 113' ' ' THR . . . -72.77 -44.12 61.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.725 -0.67 . . . . 73.25 110.009 178.066 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . 0.436 ' HA ' HD21 ' A' ' 106' ' ' LEU . . . -54.76 -40.94 69.88 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.018 -0.537 . . . . 54.13 111.139 179.684 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.448 ' HG3' ' O ' ' A' ' 108' ' ' ALA . 9.9 mtpm? -54.25 -49.35 69.71 Favored 'General case' 0 CA--C 1.529 0.171 0 CA-C-O 120.577 0.227 . . . . 74.23 110.963 178.288 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . 0.505 HG22 ' O ' ' A' ' 110' ' ' ALA . 0.9 OUTLIER -70.08 -34.98 73.85 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 116.556 -0.293 . . . . 74.22 110.306 -176.417 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.47 ' HG ' ' O ' ' A' ' 110' ' ' ALA . 42.3 mt -64.73 -50.08 68.31 Favored 'General case' 0 N--CA 1.46 0.032 0 CA-C-N 116.32 -0.4 . . . . 61.01 110.254 179.33 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.508 HG21 HG12 ' A' ' 138' ' ' VAL . 87.6 t -63.9 -35.14 72.29 Favored 'Isoleucine or valine' 0 C--O 1.238 0.476 0 CA-C-N 116.322 -0.399 . . . . 72.22 110.53 178.304 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -58.66 -61.23 2.76 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 116.148 -0.478 . . . . 63.5 109.949 178.612 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . 0.431 ' HG2' ' O ' ' A' ' 113' ' ' THR . 10.8 ptm180 -64.97 -36.12 83.37 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.144 -0.48 . . . . 65.24 110.637 -177.382 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -57.0 -51.82 67.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.006 -0.543 . . . . 63.41 111.257 179.706 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 10.5 p-80 -77.79 1.4 20.34 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 121.176 -0.209 . . . . 74.13 110.628 -179.288 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 47.7 t-80 -101.25 -35.17 9.36 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.555 -0.293 . . . . 75.14 110.791 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 34.5 m -82.51 -20.81 9.74 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.289 0 CA-C-N 116.389 -0.369 . . . . 74.54 111.01 -178.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 74.0 m -83.98 146.08 48.01 Favored Pre-proline 0 CA--C 1.532 0.282 0 CA-C-N 116.234 -0.439 . . . . 72.12 110.183 178.34 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -53.08 -30.61 50.45 Favored 'Trans proline' 0 C--N 1.353 0.807 0 C-N-CA 122.787 2.325 . . . . 74.45 112.192 179.243 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -81.82 69.66 8.55 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 108.387 -0.968 . . . . 65.44 108.387 177.823 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . 0.556 ' O ' HG22 ' A' ' 128' ' ' THR . 30.8 t -118.53 -81.01 0.62 Allowed 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 116.014 -0.539 . . . . 62.44 111.466 -174.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 33.5 t30 -60.33 -41.85 94.43 Favored 'General case' 0 C--O 1.237 0.434 0 CA-C-O 121.614 0.721 . . . . 73.42 109.941 -177.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . 0.5 ' HB2' ' HB1' ' B' ' 127' ' ' ALA . . . -68.38 -13.32 62.2 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 114.953 -1.021 . . . . 54.1 111.756 -179.158 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . 0.556 HG22 ' O ' ' A' ' 125' ' ' SER . 0.6 OUTLIER -107.95 3.29 24.0 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.243 0.544 . . . . 73.21 110.009 -171.643 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . 0.407 ' HG3' ' N ' ' A' ' 130' ' ' ASN . 14.2 ptm180 -128.22 -59.52 1.17 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.135 -0.484 . . . . 72.04 110.862 179.651 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' ASN . . . . . 0.407 ' N ' ' HG3' ' A' ' 129' ' ' ARG . 88.3 m-20 -79.4 -34.28 41.95 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.86 0.362 . . . . 71.52 111.195 -177.365 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . 0.443 HD22 HG23 ' A' ' 132' ' ' VAL . 12.2 t30 -89.64 -37.94 14.27 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 116.193 -0.458 . . . . 72.12 111.36 -176.379 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . 0.443 HG23 HD22 ' A' ' 131' ' ' ASN . 99.3 t -121.29 138.19 52.48 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.42 0 N-CA-C 110.4 -0.222 . . . . 70.22 110.4 -179.275 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -78.52 92.91 4.71 Favored 'General case' 0 C--O 1.24 0.565 0 CA-C-O 121.424 0.631 . . . . 45.42 111.333 -178.176 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . 0.741 HG22 HG13 ' A' ' 97' ' ' VAL . 90.1 t -106.59 130.05 59.06 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.536 0 CA-C-N 115.239 -0.891 . . . . 75.02 110.738 176.816 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 13.8 mmt180 -95.26 102.57 14.39 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 108.596 -0.89 . . . . 72.41 108.596 176.407 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' A' ' 136' ' ' LEU . 40.1 mt -77.81 110.95 13.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.409 0.623 . . . . 50.04 110.547 178.688 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . 0.474 HG13 ' HA ' ' A' ' 100' ' ' ARG . 0.2 OUTLIER -126.37 115.6 42.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 115.079 -0.964 . . . . 74.42 110.086 -178.648 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . 0.508 HG12 HG21 ' A' ' 115' ' ' VAL . 3.4 m -93.3 138.96 19.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.772 -0.649 . . . . 53.11 109.816 179.485 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.315 -0.894 0 CA-C-N 115.971 -0.558 . . . . 73.13 110.807 -175.242 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 27.4 ptm . . . . . 0 C--O 1.235 0.317 0 CA-C-O 121.257 0.551 . . . . 72.42 110.358 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 36.9 t30 -100.48 86.24 3.12 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.264 -0.88 . . . . 61.35 109.527 177.731 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . 0.59 HG21 ' HB2' ' B' ' 6' ' ' LYS . 25.8 mm -66.24 118.67 9.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 115.83 -0.623 . . . . 72.42 111.029 178.711 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.728 ' HG ' ' HD3' ' A' ' 87' ' ' PRO . 90.1 mt -70.61 -44.26 67.63 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.424 -0.807 . . . . 75.25 109.842 177.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 5' ' ' TYR . . . . . . . . . . . . . 29.8 t80 -139.89 129.83 24.82 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.957 -0.565 . . . . 75.45 110.898 -178.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . 0.59 ' HB2' HG21 ' B' ' 3' ' ' ILE . 28.4 ttmt -137.85 130.06 29.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.985 0.421 . . . . 65.01 110.814 174.683 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . 0.439 HG21 ' HB2' ' A' ' 48' ' ' GLN . 9.5 t -128.12 141.36 51.51 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.689 -0.687 . . . . 72.52 109.535 177.201 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . 0.482 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . . . -109.81 135.88 50.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.043 0.449 . . . . 64.22 110.879 -177.459 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -122.62 136.42 54.88 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.33 -0.619 . . . . 31.45 109.33 175.39 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 9.3 t -120.99 121.28 37.64 Favored 'General case' 0 N--CA 1.443 -0.81 0 N-CA-C 108.117 -1.068 . . . . 64.31 108.117 -177.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 70.4 m -119.13 113.47 20.96 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-N 115.559 -0.746 . . . . 74.14 110.661 -171.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 4.4 m -95.86 157.12 16.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 53.42 110.714 -177.535 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -93.09 65.71 1.91 Allowed Glycine 0 N--CA 1.452 -0.29 0 N-CA-C 110.826 -0.91 . . . . 71.12 110.826 174.624 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -56.49 -100.94 0.01 OUTLIER Glycine 0 C--N 1.339 0.702 0 C-N-CA 121.33 -0.462 . . . . 73.4 113.26 -176.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 4.4 mpt_? -88.82 -52.8 4.93 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 122.534 -0.392 . . . . 65.14 110.76 178.504 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 16' ' ' ASP . . . . . 0.491 ' HB2' ' HB3' ' B' ' 41' ' ' ALA . 10.0 t0 -125.84 -43.42 1.85 Allowed 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 121.407 0.623 . . . . 65.33 109.38 178.103 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 17' ' ' GLY . . . . . 0.52 ' O ' ' HG3' ' B' ' 29' ' ' LYS . . . -171.17 159.09 30.86 Favored Glycine 0 C--N 1.335 0.488 0 N-CA-C 110.479 -1.048 . . . . 74.22 110.479 160.337 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 18' ' ' ARG . . . . . 0.491 ' HA ' ' HA ' ' B' ' 29' ' ' LYS . 71.0 ttt180 -141.35 152.62 44.54 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 117.762 0.781 . . . . 74.4 110.524 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -145.82 124.03 12.22 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 116.259 -0.428 . . . . 64.21 110.325 179.509 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 27.9 m -132.73 112.43 11.98 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.329 -0.396 . . . . 75.11 110.433 -177.629 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 21' ' ' SER . . . . . 0.494 ' HB3' ' N ' ' B' ' 26' ' ' LEU . 31.3 t -68.42 108.0 3.09 Favored 'General case' 0 C--O 1.246 0.875 0 N-CA-C 107.47 -1.307 . . . . 74.21 107.47 175.38 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 22' ' ' HIS . . . . . . . . . . . . . 84.7 t60 -61.26 -14.88 29.53 Favored 'General case' 0 N--CA 1.468 0.431 0 O-C-N 125.626 1.829 . . . . 73.12 112.363 -166.493 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . 0.498 ' HB2' ' HG2' ' B' ' 25' ' ' LYS . 2.2 m-20 -80.19 12.38 2.91 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.465 -0.569 . . . . 63.54 109.465 176.559 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 29.5 mm-40 67.9 24.13 8.14 Favored 'General case' 0 CA--C 1.519 -0.247 0 CA-C-N 115.137 -0.938 . . . . 71.43 109.734 -179.08 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.547 ' HG3' HE22 ' A' ' 48' ' ' GLN . 75.4 mmtt -82.68 -35.07 27.14 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 114.813 -1.085 . . . . 41.25 110.026 178.084 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . 0.494 ' N ' ' HB3' ' B' ' 21' ' ' SER . 58.5 tp -147.78 146.66 29.26 Favored 'General case' 0 C--N 1.345 0.406 0 C-N-CA 120.017 -0.673 . . . . 71.52 111.759 -174.777 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -153.47 97.76 2.17 Favored 'General case' 0 C--N 1.331 -0.21 0 O-C-N 123.701 0.626 . . . . 53.33 109.421 173.366 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 4.4 m -141.07 177.87 3.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 121.277 0.561 . . . . 74.12 111.46 179.687 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.52 ' HG3' ' O ' ' B' ' 17' ' ' GLY . 35.6 tttm -131.72 143.43 50.25 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 114.902 -1.045 . . . . 64.31 110.108 -177.724 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . 0.806 ' HA ' ' H ' ' B' ' 44' ' ' THR . 0.0 OUTLIER -127.98 176.98 7.19 Favored 'General case' 0 C--O 1.253 1.285 0 CA-C-O 121.116 0.484 . . . . 72.32 110.695 176.043 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 12.0 p -145.71 153.62 41.17 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.058 -0.974 . . . . 62.35 111.677 -174.745 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -93.32 129.18 39.83 Favored Pre-proline 0 C--O 1.236 0.387 0 CA-C-N 115.969 -0.56 . . . . 75.13 109.681 174.027 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 33' ' ' PRO . . . . . 0.454 ' HG3' ' ND2' ' B' ' 45' ' ' ASN . 74.0 Cg_exo -49.33 107.88 0.17 Allowed 'Trans proline' 0 C--N 1.352 0.757 0 C-N-CA 122.874 2.383 . . . . 71.3 112.495 -177.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 34' ' ' ARG . . . . . 0.537 ' HB2' ' HA3' ' B' ' 40' ' ' GLY . 62.6 ttt180 -64.84 -20.16 66.26 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 120.909 0.385 . . . . 71.43 110.872 -178.09 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 42.4 mm-40 -50.29 -27.87 6.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.579 -0.737 . . . . 72.42 111.482 175.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 41.7 mt -110.47 13.52 22.72 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.969 -0.559 . . . . 63.52 111.008 -173.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 94.75 59.73 1.12 Allowed Glycine 0 C--N 1.333 0.414 0 CA-C-N 115.925 -0.579 . . . . 51.22 112.774 178.773 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . 0.453 ' H ' ' HA ' ' B' ' 34' ' ' ARG . . . -128.72 -134.83 3.88 Favored Glycine 0 C--N 1.333 0.378 0 N-CA-C 111.705 -0.558 . . . . 64.12 111.705 179.149 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 39' ' ' ALA . . . . . 0.412 ' O ' ' HD2' ' B' ' 34' ' ' ARG . . . -118.34 -29.0 5.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.635 0.255 . . . . 71.25 110.831 179.742 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 40' ' ' GLY . . . . . 0.537 ' HA3' ' HB2' ' B' ' 34' ' ' ARG . . . 52.39 47.74 55.87 Favored Glycine 0 C--N 1.334 0.451 0 CA-C-N 116.164 -0.471 . . . . 53.13 113.487 177.734 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . 0.491 ' HB3' ' HB2' ' B' ' 16' ' ' ASP . . . -79.44 174.81 11.19 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.684 0.278 . . . . 45.11 110.796 178.024 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . 0.421 ' O ' ' HG3' ' B' ' 42' ' ' GLU . 10.7 pt-20 -68.41 80.56 0.25 Allowed 'General case' 0 CA--C 1.534 0.358 0 CA-C-O 121.662 0.744 . . . . 74.14 110.355 176.676 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -145.74 -170.62 14.66 Favored Glycine 0 C--N 1.316 -0.558 0 CA-C-N 115.607 -0.724 . . . . 72.12 112.449 175.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 44' ' ' THR . . . . . 0.806 ' H ' ' HA ' ' B' ' 30' ' ' LEU . 31.2 p -102.08 179.32 4.36 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.864 0.364 . . . . 35.03 111.029 179.069 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 45' ' ' ASN . . . . . 0.492 ' HB3' ' OE2' ' B' ' 47' ' ' GLU . 11.4 m120 -97.99 126.7 39.43 Favored Pre-proline 0 C--N 1.326 -0.448 0 CA-C-N 115.869 -0.605 . . . . 71.14 110.228 178.841 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 46' ' ' PRO . . . . . . . . . . . . . 29.0 Cg_endo -63.68 -50.13 3.57 Favored 'Trans proline' 0 C--O 1.241 0.648 0 C-N-CA 122.63 2.22 . . . . 54.41 112.539 -178.604 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 47' ' ' GLU . . . . . 0.492 ' OE2' ' HB3' ' B' ' 45' ' ' ASN . 4.1 pm0 -62.22 -32.91 73.64 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 120.951 0.405 . . . . 73.03 110.133 179.228 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -64.93 -45.69 84.77 Favored 'General case' 0 C--O 1.225 -0.193 0 CA-C-N 115.927 -0.578 . . . . 65.22 109.564 174.01 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 49' ' ' LEU . . . . . 0.562 HD12 ' HA3' ' A' ' 53' ' ' GLY . 2.5 tm? -55.35 -49.73 71.51 Favored 'General case' 0 C--O 1.237 0.444 0 CA-C-N 115.847 -0.615 . . . . 73.15 109.856 -178.422 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 43.9 t80 -63.24 -42.76 99.24 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 116.258 -0.428 . . . . 74.53 110.681 176.789 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . 0.403 ' HB2' HG11 ' B' ' 83' ' ' VAL . . . -56.29 -53.19 60.18 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-O 120.821 0.343 . . . . 63.22 111.691 179.762 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 52' ' ' ALA . . . . . 0.44 ' HB1' ' HB1' ' A' ' 19' ' ' ALA . . . -62.66 -51.98 65.11 Favored 'General case' 0 C--O 1.239 0.512 0 CA-C-O 121.004 0.43 . . . . 74.31 110.79 -179.66 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . 0.435 ' HA3' HD12 ' A' ' 49' ' ' LEU . . . -57.52 -41.95 93.71 Favored Glycine 0 C--O 1.226 -0.394 0 CA-C-N 115.668 -0.696 . . . . 73.22 112.207 -179.843 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -67.15 -50.22 62.04 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 122.854 0.461 . . . . 73.14 111.067 -179.734 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 34.5 p -57.95 -43.48 86.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.684 0.278 . . . . 71.55 110.5 -177.736 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -68.68 -44.33 74.26 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 116.104 -0.498 . . . . 72.32 110.527 176.339 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 57' ' ' CYS . . . . . . . . . . . . . 52.2 t -57.98 -35.91 71.87 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 115.878 -0.601 . . . . 72.4 110.92 -179.259 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 37.7 t80 -57.41 -33.94 68.39 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-O 121.109 0.481 . . . . 52.32 109.921 -178.03 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 7.4 tt -70.71 -44.39 66.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.618 -0.719 . . . . 64.41 109.449 177.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 60' ' ' SER . . . . . 0.407 ' O ' ' HB3' ' B' ' 63' ' ' LYS . 1.8 m -55.69 -46.26 77.65 Favored 'General case' 0 C--O 1.241 0.626 0 CA-C-O 121.432 0.634 . . . . 73.23 110.275 177.475 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -60.93 -49.5 77.19 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 115.436 -0.802 . . . . 44.1 110.045 177.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 62' ' ' MET . . . . . 0.406 ' HB3' HD11 ' B' ' 73' ' ' LEU . 71.3 mmm -64.11 -22.61 67.0 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.895 -0.593 . . . . 71.0 111.005 177.656 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . 0.407 ' HB3' ' O ' ' B' ' 60' ' ' SER . 27.0 ttpp -71.63 -44.69 63.92 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.676 -0.49 . . . . 72.03 109.676 176.475 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 39.9 t80 -63.37 -41.86 98.84 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-O 121.115 0.483 . . . . 73.11 110.044 174.045 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 41.7 t -59.36 -49.05 84.94 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.156 0 CA-C-N 115.671 -0.695 . . . . 75.05 110.645 177.025 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -56.61 -32.79 65.63 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.002 -0.545 . . . . 74.13 110.612 -178.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -67.12 -32.48 80.51 Favored Glycine 0 CA--C 1.518 0.245 0 CA-C-N 115.426 -0.806 . . . . 75.04 112.57 -178.686 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -97.87 -12.58 21.96 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 121.508 0.67 . . . . 64.5 109.637 -179.373 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -95.12 -0.11 53.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.237 -0.892 . . . . 65.21 110.733 177.689 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 2.4 mptp? 63.1 24.25 14.35 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 115.756 -0.656 . . . . 73.12 111.816 175.681 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -118.56 169.57 9.68 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.16 -0.473 . . . . 74.24 110.516 -178.667 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 17.3 p -126.42 141.08 52.02 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.986 -0.552 . . . . 74.12 109.985 176.551 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . 0.406 HD11 ' HB3' ' B' ' 62' ' ' MET . 95.9 mt -96.35 137.93 21.57 Favored Pre-proline 0 C--N 1.327 -0.403 0 CA-C-N 116.533 -0.303 . . . . 75.15 110.429 -179.1 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 74' ' ' PRO . . . . . 0.48 ' HD2' HD11 ' B' ' 103' ' ' LEU . 31.9 Cg_exo -60.38 131.62 39.42 Favored 'Trans proline' 0 C--N 1.349 0.56 0 C-N-CA 122.644 2.229 . . . . 62.01 112.064 177.359 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -77.21 -15.6 59.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.837 0.351 . . . . 71.53 111.888 -176.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -84.9 5.09 30.38 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-O 121.08 0.467 . . . . 60.22 111.295 -178.141 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 77' ' ' THR . . . . . 0.516 ' HA ' ' HD3' ' B' ' 104' ' ' PRO . 13.5 t -75.19 158.54 32.84 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-O 121.0 0.429 . . . . 73.25 111.469 -176.371 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 7.4 m -149.9 149.16 30.03 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 115.76 -0.655 . . . . 71.23 110.133 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 76.6 t -130.85 122.89 53.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 N-CA-C 109.801 -0.444 . . . . 54.24 109.801 175.01 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 80' ' ' THR . . . . . 0.541 ' HA ' ' HA ' ' A' ' 10' ' ' THR . 23.4 m -106.91 110.23 22.33 Favored 'General case' 0 C--N 1.32 -0.678 0 C-N-CA 120.87 -0.332 . . . . 72.42 110.845 -179.044 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -96.84 118.12 32.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.987 -0.551 . . . . 73.43 110.153 178.27 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 82' ' ' GLU . . . . . 0.476 ' HA ' ' HA ' ' A' ' 8' ' ' ALA . 32.8 tt0 -120.98 107.72 13.0 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.217 -0.66 . . . . 71.23 109.217 179.27 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . 0.418 ' O ' ' HG3' ' A' ' 6' ' ' LYS . 19.8 m -102.37 146.21 10.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.053 -0.521 . . . . 71.44 111.175 -172.68 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 84' ' ' GLY . . . . . 0.423 ' HA2' ' HA ' ' A' ' 6' ' ' LYS . . . -144.15 166.96 27.01 Favored Glycine 0 N--CA 1.445 -0.761 0 CA-C-N 115.827 -0.624 . . . . 52.45 112.269 -178.549 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -142.46 135.99 27.68 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 N-CA-C 109.047 -0.723 . . . . 73.1 109.047 -179.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -148.99 169.86 29.4 Favored Glycine 0 CA--C 1.519 0.332 0 O-C-N 123.867 0.73 . . . . 52.3 111.535 -179.061 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 87' ' ' PRO . . . . . 0.709 ' HD3' ' HG ' ' A' ' 4' ' ' LEU . 15.2 Cg_exo -68.4 132.66 26.17 Favored 'Trans proline' 0 C--O 1.237 0.472 0 C-N-CA 122.674 2.25 . . . . 61.3 111.985 -177.875 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 88' ' ' ASN . . . . . . . . . . . . . 53.3 t-20 -93.14 140.59 29.34 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.078 -0.712 . . . . 72.3 109.078 176.493 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -64.12 -15.5 59.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.092 0.472 . . . . 65.22 111.075 -178.653 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -67.31 -19.31 65.46 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 115.644 -0.707 . . . . 74.05 110.36 175.626 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.06 27.52 6.22 Favored Glycine 0 N--CA 1.454 -0.157 0 CA-C-N 115.741 -0.663 . . . . 72.2 112.194 -179.58 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . -142.66 -141.62 3.9 Favored Glycine 0 C--N 1.331 0.284 0 N-CA-C 111.404 -0.678 . . . . 70.13 111.404 178.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 93' ' ' PHE . . . . . 0.408 ' HE1' ' CZ ' ' A' ' 64' ' ' PHE . 17.7 m-85 -111.39 159.26 18.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.902 0.382 . . . . 73.12 110.595 177.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -140.68 135.56 31.76 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.721 -0.672 . . . . 62.21 109.458 177.494 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -97.2 148.92 22.59 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.125 0.488 . . . . 74.21 110.918 -177.707 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 96' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -134.8 110.48 9.22 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.106 -0.952 . . . . 73.53 109.054 179.784 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 97' ' ' VAL . . . . . 0.731 ' HB ' HG22 ' B' ' 134' ' ' VAL . 58.5 t -111.29 110.8 33.52 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.937 0 CA-C-O 120.716 0.293 . . . . 65.34 110.694 -178.783 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -96.68 117.25 30.6 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.418 -0.355 . . . . 74.42 110.152 178.384 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 81.5 mt -107.56 110.79 22.78 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.786 -0.45 . . . . 61.12 109.786 178.051 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 100' ' ' ARG . . . . . 0.479 ' HA ' ' O ' ' B' ' 137' ' ' VAL . 90.9 mtt180 -99.4 119.77 38.51 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.781 -0.452 . . . . 64.11 109.781 -177.701 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 101' ' ' VAL . . . . . . . . . . . . . 93.7 t -102.23 109.28 25.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 116.028 -0.533 . . . . 60.12 111.073 -175.058 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -108.89 101.4 10.5 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.958 -0.386 . . . . 53.32 109.958 175.535 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 103' ' ' LEU . . . . . 0.762 HD23 HD22 ' B' ' 106' ' ' LEU . 25.6 tp -112.79 117.23 46.8 Favored Pre-proline 0 C--N 1.326 -0.432 0 N-CA-C 108.862 -0.792 . . . . 72.24 108.862 177.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 104' ' ' PRO . . . . . 0.556 ' HD2' HD12 ' B' ' 103' ' ' LEU . 33.8 Cg_endo -63.78 141.41 78.51 Favored 'Trans proline' 0 C--O 1.237 0.455 0 C-N-CA 122.799 2.333 . . . . 74.24 112.685 -174.394 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 105' ' ' GLY . . . . . . . . . . . . . . . 69.58 8.47 60.06 Favored Glycine 0 N--CA 1.45 -0.427 0 CA-C-N 114.757 -1.11 . . . . 72.34 113.118 179.561 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 106' ' ' LEU . . . . . 0.762 HD22 HD23 ' B' ' 103' ' ' LEU . 25.5 tp -102.65 136.42 42.51 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-O 121.304 0.573 . . . . 60.53 111.129 -178.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 41.6 m-20 -75.29 142.81 43.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.216 -0.902 . . . . 63.12 110.578 176.172 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 108' ' ' ALA . . . . . 0.402 ' O ' ' HG2' ' B' ' 112' ' ' LYS . . . -61.1 -40.56 94.2 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.721 0.296 . . . . 34.32 110.942 177.671 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -56.57 -48.74 76.7 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.19 -0.459 . . . . 64.51 110.641 -179.739 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 110' ' ' ALA . . . . . 0.535 ' O ' ' HG ' ' B' ' 114' ' ' LEU . . . -70.97 -38.62 72.78 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.924 -0.58 . . . . 72.03 109.976 178.102 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 111' ' ' ALA . . . . . 0.431 ' O ' HG23 ' B' ' 115' ' ' VAL . . . -55.03 -39.67 69.39 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.58 -0.736 . . . . 64.14 110.981 -178.319 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 112' ' ' LYS . . . . . 0.402 ' HG2' ' O ' ' B' ' 108' ' ' ALA . 33.9 mmtp -51.94 -47.53 64.7 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 116.103 -0.499 . . . . 74.45 111.077 179.798 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 113' ' ' THR . . . . . . . . . . . . . 1.3 t -82.09 -34.11 29.49 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 116.376 -0.374 . . . . 72.03 110.94 -175.262 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 114' ' ' LEU . . . . . 0.535 ' HG ' ' O ' ' B' ' 110' ' ' ALA . 38.0 mt -62.99 -44.51 95.83 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-O 121.19 0.519 . . . . 70.23 109.994 179.198 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 115' ' ' VAL . . . . . 0.607 HG21 HG12 ' B' ' 138' ' ' VAL . 73.6 t -62.32 -35.1 67.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 115.444 -0.798 . . . . 63.55 110.293 177.427 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -64.01 -61.25 2.39 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 116.155 -0.475 . . . . 75.43 110.897 179.778 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 117' ' ' ARG . . . . . . . . . . . . . 7.5 ptm85 -60.18 -40.35 89.7 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.29 -0.413 . . . . 70.2 111.007 -177.02 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -59.15 -46.45 88.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.243 0.545 . . . . 61.11 110.285 175.726 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 47.3 m80 -80.16 4.12 18.42 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.911 -0.586 . . . . 74.31 111.592 179.517 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 16.3 t-80 -101.86 -20.24 14.97 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.544 -0.298 . . . . 61.52 110.724 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 35.2 m -106.44 -29.92 2.66 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.417 0 N-CA-C 112.383 0.512 . . . . 63.42 112.383 -176.475 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 122' ' ' CYS . . . . . 0.489 ' HA ' ' HD3' ' B' ' 123' ' ' PRO . 75.6 m -67.45 129.93 93.49 Favored Pre-proline 0 CA--C 1.539 0.553 0 N-CA-C 111.665 0.246 . . . . 74.53 111.665 -175.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 123' ' ' PRO . . . . . 0.489 ' HD3' ' HA ' ' B' ' 122' ' ' CYS . 36.7 Cg_exo -62.11 -26.06 77.8 Favored 'Trans proline' 0 C--N 1.356 0.944 0 C-N-CA 123.569 2.846 . . . . 65.25 113.541 -176.659 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 124' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 -95.36 13.93 24.14 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-O 120.656 0.265 . . . . 65.35 110.312 176.498 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 125' ' ' SER . . . . . 0.533 ' O ' HG22 ' B' ' 128' ' ' THR . 26.8 t -123.38 -41.3 2.3 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 112.094 0.405 . . . . 64.23 112.094 -175.715 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 126' ' ' ASN . . . . . . . . . . . . . 25.1 p-10 -55.0 -43.85 74.0 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 121.245 0.545 . . . . 74.24 109.832 179.188 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 127' ' ' ALA . . . . . 0.639 ' O ' ' HB3' ' B' ' 131' ' ' ASN . . . -87.71 6.28 35.69 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.537 -0.756 . . . . 65.3 111.857 -178.691 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 128' ' ' THR . . . . . 0.533 HG22 ' O ' ' B' ' 125' ' ' SER . 0.9 OUTLIER -105.21 -22.5 13.06 Favored 'General case' 0 C--O 1.225 -0.213 0 N-CA-C 109.344 -0.614 . . . . 55.14 109.344 178.601 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 129' ' ' ARG . . . . . 0.439 ' HG2' ' O ' ' B' ' 125' ' ' SER . 16.9 ptm180 -99.87 -47.26 5.1 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-O 121.607 0.718 . . . . 75.21 109.21 -178.011 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 130' ' ' ASN . . . . . 0.429 ' N ' ' HG3' ' B' ' 129' ' ' ARG . 85.3 m-20 -79.54 -26.59 41.4 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 114.788 -1.096 . . . . 74.14 111.761 -175.433 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 131' ' ' ASN . . . . . 0.715 HD22 HG13 ' B' ' 132' ' ' VAL . 7.5 t30 -100.57 -37.28 8.85 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 116.129 -0.487 . . . . 75.43 111.695 -173.377 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 132' ' ' VAL . . . . . 0.715 HG13 HD22 ' B' ' 131' ' ' ASN . 15.5 m -131.4 177.85 6.4 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.656 0 CA-C-O 120.549 0.214 . . . . 52.13 111.061 -177.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 133' ' ' ALA . . . . . . . . . . . . . . . -92.0 99.9 12.65 Favored 'General case' 0 C--O 1.24 0.589 0 CA-C-O 121.488 0.661 . . . . 72.23 111.877 -173.464 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 134' ' ' VAL . . . . . 0.731 HG22 ' HB ' ' B' ' 97' ' ' VAL . 83.1 t -124.25 108.48 20.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.063 -0.971 . . . . 61.1 110.465 176.58 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 2.7 ttt85 -77.77 108.57 11.09 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.356 -0.838 . . . . 74.32 110.391 178.165 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 78.9 mt -81.76 119.41 23.84 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.033 -0.53 . . . . 72.41 110.3 176.195 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 137' ' ' VAL . . . . . 0.479 ' O ' ' HA ' ' B' ' 100' ' ' ARG . 0.1 OUTLIER -127.71 121.88 57.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.64 -0.709 . . . . 72.22 109.656 -178.95 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 138' ' ' VAL . . . . . 0.607 HG12 HG21 ' B' ' 115' ' ' VAL . 2.4 m -97.01 138.21 22.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 N-CA-C 109.383 -0.599 . . . . 70.52 109.383 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 139' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.162 0 CA-C-O 118.599 -0.715 . . . . 71.35 110.878 -175.566 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.6 ptm . . . . . 0 N--CA 1.484 1.231 0 CA-C-O 120.874 0.369 . . . . 71.43 110.071 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 47.5 t30 -98.62 86.72 3.63 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.045 -0.525 . . . . 75.52 109.871 178.535 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.526 HG21 ' HB2' ' A' ' 6' ' ' LYS . 28.8 mm -64.32 116.4 3.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.978 -0.556 . . . . 51.02 110.927 177.527 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.675 ' HG ' ' HD3' ' B' ' 87' ' ' PRO . 88.5 mt -75.74 -43.62 45.85 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.453 -0.794 . . . . 74.21 110.069 178.866 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 46.9 t80 -138.85 130.7 27.78 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.979 -0.555 . . . . 54.43 110.063 -176.491 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.526 ' HB2' HG21 ' A' ' 3' ' ' ILE . 28.4 ttmt -143.78 131.22 21.01 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.137 0.494 . . . . 62.42 111.064 176.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 5.8 t -121.36 166.3 14.27 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 114.995 -1.002 . . . . 73.02 109.27 175.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.404 ' HB2' ' HG3' ' B' ' 82' ' ' GLU . . . -136.96 147.68 46.48 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.707 0.289 . . . . 64.34 110.78 -175.006 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -139.85 124.06 17.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.247 -0.433 . . . . 65.14 110.585 179.488 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 7.8 t -96.79 130.82 43.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.321 -0.4 . . . . 73.43 110.029 179.185 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 10.9 p -123.14 138.05 54.75 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.238 0.542 . . . . 71.32 111.626 -176.669 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.421 HG22 ' N ' ' A' ' 13' ' ' GLY . 6.7 m -109.59 167.28 10.25 Favored 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 123.317 0.647 . . . . 72.12 109.911 177.288 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.421 ' N ' HG22 ' A' ' 12' ' ' THR . . . -78.32 5.73 54.21 Favored Glycine 0 CA--C 1.526 0.731 0 C-N-CA 120.923 -0.656 . . . . 62.44 113.553 176.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 30.05 -129.6 0.13 Allowed Glycine 0 C--N 1.344 0.98 0 O-C-N 123.646 0.262 . . . . 62.02 113.364 -174.646 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 31.8 mmt180 -88.8 -38.23 14.8 Favored 'General case' 0 C--O 1.236 0.368 0 N-CA-C 107.88 -1.156 . . . . 73.04 107.88 164.769 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.531 ' HB3' ' HA ' ' A' ' 31' ' ' SER . 24.9 t0 -125.42 -42.66 1.95 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 114.991 -1.004 . . . . 74.22 109.608 173.544 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.446 ' O ' ' HG3' ' A' ' 29' ' ' LYS . . . -165.97 163.65 36.91 Favored Glycine 0 C--N 1.342 0.892 0 C-N-CA 120.62 -0.8 . . . . 73.12 111.352 169.32 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.635 ' HA ' ' HA ' ' A' ' 29' ' ' LYS . 51.9 ttt180 -149.49 148.18 29.1 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.379 -0.6 . . . . 73.24 109.379 177.585 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -142.1 124.0 15.27 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.871 0.367 . . . . 71.12 110.267 -175.756 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 25.6 m -130.68 111.31 12.07 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.945 -0.571 . . . . 63.53 110.026 179.512 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.493 ' HB2' ' HB3' ' A' ' 26' ' ' LEU . 11.4 t -74.05 114.45 12.39 Favored 'General case' 0 C--O 1.246 0.887 0 N-CA-C 107.709 -1.219 . . . . 62.3 107.709 177.853 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.415 ' C ' ' H ' ' A' ' 24' ' ' GLN . 9.7 t60 -53.37 -33.99 55.82 Favored 'General case' 0 N--CA 1.474 0.773 0 O-C-N 126.155 2.159 . . . . 71.44 112.868 -164.789 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 26.6 p-10 -80.48 18.67 0.88 Allowed 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 121.512 0.672 . . . . 73.43 110.07 -178.14 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.415 ' H ' ' C ' ' A' ' 22' ' ' HIS . 29.9 mm-40 70.65 23.89 4.53 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 114.734 -1.121 . . . . 72.53 110.645 173.186 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.45 ' HA ' ' HD3' ' A' ' 25' ' ' LYS . 69.6 mmtt -84.7 -26.78 27.48 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.673 -0.694 . . . . 73.44 110.447 175.545 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.493 ' HB3' ' HB2' ' A' ' 21' ' ' SER . 58.3 tp -144.54 145.63 31.93 Favored 'General case' 0 C--O 1.224 -0.253 0 C-N-CA 119.37 -0.932 . . . . 74.42 111.882 -178.685 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -160.46 92.77 0.99 Allowed 'General case' 0 N--CA 1.466 0.328 0 O-C-N 123.806 0.691 . . . . 74.13 109.859 173.031 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.578 ' O ' ' HG3' ' A' ' 18' ' ' ARG . 4.1 m -148.78 177.04 0.92 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.535 0 CA-C-O 121.117 0.484 . . . . 62.12 111.626 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.635 ' HA ' ' HA ' ' A' ' 18' ' ' ARG . 22.4 ttpt -125.43 141.62 51.96 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.086 -0.961 . . . . 62.42 109.669 178.242 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.803 ' HA ' ' H ' ' A' ' 44' ' ' THR . 0.0 OUTLIER -122.87 154.64 38.02 Favored 'General case' 0 C--O 1.253 1.263 0 CA-C-O 121.283 0.563 . . . . 64.12 110.607 176.253 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.531 ' HA ' ' HB3' ' A' ' 16' ' ' ASP . 50.0 m -163.05 126.69 2.85 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 114.779 -1.1 . . . . 75.34 109.85 -173.738 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.41 132.72 95.23 Favored Pre-proline 0 C--O 1.237 0.419 0 N-CA-C 109.774 -0.454 . . . . 52.21 109.774 175.134 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_endo -75.54 34.55 0.41 Allowed 'Trans proline' 0 CA--C 1.533 0.444 0 C-N-CA 123.182 2.588 . . . . 73.33 112.467 -176.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.488 ' HA ' ' H ' ' A' ' 38' ' ' GLY . 5.7 ttt180 52.35 -92.17 0.03 OUTLIER 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 123.308 0.643 . . . . 50.12 111.492 -174.259 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.419 ' HB2' HD22 ' A' ' 36' ' ' LEU . 33.4 mm-40 56.34 -73.26 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.604 0 O-C-N 123.728 0.643 . . . . 75.14 112.348 178.513 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.475 ' N ' ' O ' ' A' ' 34' ' ' ARG . 1.2 mm? -85.32 -15.62 42.72 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.867 0.365 . . . . 63.44 110.022 -176.012 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 128.26 43.84 0.22 Allowed Glycine 0 C--N 1.333 0.376 0 CA-C-N 115.788 -0.642 . . . . 72.22 112.438 179.58 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.488 ' H ' ' HA ' ' A' ' 34' ' ' ARG . . . -94.6 -131.27 6.24 Favored Glycine 0 CA--C 1.522 0.516 0 C-N-CA 121.329 -0.463 . . . . 73.44 112.359 -179.176 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -99.04 -49.6 4.46 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-O 120.976 0.417 . . . . 63.22 110.771 -178.444 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 82.98 88.85 0.72 Allowed Glycine 0 N--CA 1.451 -0.335 0 CA-C-N 115.831 -0.622 . . . . 45.53 112.707 177.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -156.81 170.88 21.46 Favored 'General case' 0 C--O 1.234 0.277 0 N-CA-C 110.304 -0.258 . . . . 44.21 110.304 179.007 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -83.09 72.95 10.1 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-O 121.872 0.844 . . . . 71.23 110.853 179.601 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -132.57 -170.4 12.5 Favored Glycine 0 C--N 1.318 -0.437 0 CA-C-N 114.856 -1.065 . . . . 55.55 111.081 175.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.803 ' H ' ' HA ' ' A' ' 30' ' ' LEU . 38.8 m -93.05 140.71 29.2 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 110.056 -0.35 . . . . 74.01 110.056 177.791 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.661 ' HB2' ' HB3' ' A' ' 48' ' ' GLN . 1.2 m-20 -68.25 144.51 96.78 Favored Pre-proline 0 C--N 1.326 -0.428 0 CA-C-N 116.213 -0.449 . . . . 72.33 109.974 177.463 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_exo -60.63 -60.53 0.25 Allowed 'Trans proline' 0 CA--C 1.535 0.572 0 C-N-CA 122.964 2.442 . . . . 63.04 112.838 -177.374 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -65.97 -30.65 71.24 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 120.988 0.423 . . . . 62.13 110.499 -177.121 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.661 ' HB3' ' HB2' ' A' ' 45' ' ' ASN . 27.7 tt0 -65.63 -38.63 89.94 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-N 115.777 -0.647 . . . . 72.35 110.352 175.25 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -64.99 -51.06 63.76 Favored 'General case' 0 C--O 1.234 0.285 0 N-CA-C 109.144 -0.687 . . . . 71.11 109.144 178.277 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 36.4 t80 -58.21 -43.26 87.57 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-N 116.039 -0.528 . . . . 64.45 110.581 177.656 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.471 ' HB2' HG11 ' A' ' 83' ' ' VAL . . . -53.09 -53.15 54.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.114 -0.494 . . . . 52.03 110.888 177.199 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.64 -43.91 97.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.751 -0.659 . . . . 51.43 111.102 179.635 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -65.05 -42.94 96.42 Favored Glycine 0 C--N 1.332 0.309 0 CA-C-N 116.129 -0.487 . . . . 45.35 112.642 -178.448 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.494 ' CE2' HD11 ' A' ' 99' ' ' LEU . 1.9 t80 -69.32 -46.93 65.93 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.962 -0.384 . . . . 71.4 109.962 -179.726 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.5 t -57.19 -47.17 81.92 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.413 -0.588 . . . . 50.31 109.413 179.547 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.567 ' HB2' ' HB2' ' B' ' 19' ' ' ALA . . . -64.75 -40.22 94.94 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-N 115.846 -0.616 . . . . 72.41 110.946 177.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 44.5 t -57.04 -37.3 71.58 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 116.073 -0.512 . . . . 74.4 110.115 177.752 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -60.84 -35.1 75.69 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 115.748 -0.66 . . . . 64.12 109.977 179.677 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.421 ' O ' ' HD3' ' A' ' 63' ' ' LYS . 4.4 mm? -75.29 -0.44 19.64 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 115.974 -0.557 . . . . 74.12 111.903 -179.752 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 21.7 t -114.16 -46.08 3.02 Favored 'General case' 0 C--O 1.243 0.72 0 N-CA-C 109.282 -0.636 . . . . 74.4 109.282 175.419 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.453 ' O ' HG23 ' A' ' 65' ' ' VAL . . . -53.24 -45.96 68.95 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 115.505 -0.771 . . . . 64.15 110.204 175.393 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . 0.479 ' SD ' ' HB1' ' A' ' 118' ' ' ALA . 80.8 mmm -61.32 -32.27 72.13 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.312 -0.404 . . . . 61.32 111.347 178.628 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.421 ' HD3' ' O ' ' A' ' 59' ' ' LEU . 1.4 mptm? -64.67 -51.78 60.75 Favored 'General case' 0 C--O 1.234 0.25 0 N-CA-C 109.82 -0.437 . . . . 62.32 109.82 176.687 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 41.2 t80 -62.44 -41.89 99.07 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 116.293 -0.412 . . . . 70.35 110.384 179.357 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.453 HG23 ' O ' ' A' ' 61' ' ' ALA . 55.8 t -58.39 -47.43 87.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 51.41 110.422 177.222 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -61.14 -29.27 69.68 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.094 0.474 . . . . 55.45 110.129 178.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -70.93 -34.43 65.4 Favored Glycine 0 N--CA 1.45 -0.373 0 CA-C-N 115.356 -0.838 . . . . 65.01 112.33 -179.162 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -91.56 -20.54 21.57 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 121.408 0.623 . . . . 73.33 109.629 -178.026 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 10.2 m-80 -90.72 1.42 56.87 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 114.939 -1.028 . . . . 73.35 110.275 178.32 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.0 mptp? 53.63 40.62 31.68 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 115.596 -0.729 . . . . 70.5 110.866 175.749 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -129.81 169.12 15.56 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 114.878 -1.055 . . . . 65.11 110.367 178.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 14.7 p -126.13 134.09 51.43 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.202 -0.454 . . . . 71.13 110.225 177.024 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.405 ' HA ' ' HD3' ' A' ' 74' ' ' PRO . 0.2 OUTLIER -109.48 142.0 24.77 Favored Pre-proline 0 N--CA 1.465 0.305 0 CA-C-N 116.714 -0.221 . . . . 63.13 110.971 178.225 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 73' ' ' LEU . 54.3 Cg_exo -54.59 139.21 75.97 Favored 'Trans proline' 0 C--N 1.351 0.673 0 C-N-CA 123.194 2.596 . . . . 75.32 112.876 -179.548 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -77.35 -6.16 52.27 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 121.221 0.534 . . . . 74.43 111.167 179.386 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -88.51 4.14 47.75 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.626 -0.715 . . . . 72.44 111.22 -177.352 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.402 HG22 ' O ' ' A' ' 74' ' ' PRO . 10.3 t -76.53 154.24 34.74 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.841 -0.618 . . . . 73.42 111.576 -176.676 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 53.6 m -149.09 150.12 32.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.635 -0.711 . . . . 65.01 110.145 -179.573 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 72.8 t -130.1 130.96 66.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 N-CA-C 108.943 -0.762 . . . . 73.54 108.943 177.743 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.53 ' HA ' ' HA ' ' B' ' 10' ' ' THR . 11.8 m -114.85 115.77 27.5 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.754 0.312 . . . . 61.0 111.023 -178.122 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -93.34 105.73 17.77 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 116.03 -0.532 . . . . 75.0 110.626 177.654 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.491 ' HG2' ' HD3' ' B' ' 6' ' ' LYS . 36.9 tt0 -101.86 108.7 20.26 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.485 -0.561 . . . . 74.0 109.485 178.271 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.471 HG11 ' HB2' ' A' ' 51' ' ' ALA . 19.2 m -112.4 146.75 16.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.97 0.414 . . . . 74.25 111.335 -173.601 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.422 ' HA2' ' HA ' ' B' ' 6' ' ' LYS . . . -143.41 167.15 26.62 Favored Glycine 0 N--CA 1.445 -0.72 0 CA-C-N 115.813 -0.631 . . . . 64.22 112.088 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.519 HD11 ' CD2' ' A' ' 93' ' ' PHE . 0.0 OUTLIER -138.2 132.85 43.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 N-CA-C 109.111 -0.7 . . . . 71.32 109.111 -177.952 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -141.68 169.98 24.98 Favored Glycine 0 CA--C 1.516 0.123 0 O-C-N 124.079 0.862 . . . . 64.2 110.955 179.602 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.706 ' HD3' ' HG ' ' B' ' 4' ' ' LEU . 60.0 Cg_endo -80.82 134.31 9.56 Favored 'Trans proline' 0 N--CA 1.455 -0.747 0 C-N-CA 122.174 1.916 . . . . 75.13 112.169 -177.457 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . 0.45 ' HB2' ' HB2' ' A' ' 94' ' ' ALA . 51.4 t30 -86.08 150.61 24.32 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.586 -0.734 . . . . 63.43 110.014 -179.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -62.31 -19.87 63.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.113 -0.494 . . . . 74.31 111.548 -177.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -67.28 -23.2 65.65 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 116.174 -0.467 . . . . 62.35 111.044 177.251 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 103.99 35.06 3.54 Favored Glycine 0 N--CA 1.455 -0.095 0 N-CA-C 111.272 -0.731 . . . . 52.42 111.272 -175.335 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -144.27 -144.35 4.18 Favored Glycine 0 N--CA 1.45 -0.397 0 N-CA-C 111.17 -0.772 . . . . 74.12 111.17 -179.756 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.519 ' CD2' HD11 ' A' ' 85' ' ' ILE . 42.1 m-85 -109.79 160.99 15.87 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 117.116 0.458 . . . . 72.25 110.772 179.465 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.45 ' HB2' ' HB2' ' A' ' 88' ' ' ASN . . . -145.06 138.01 26.4 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.264 -0.88 . . . . 73.43 108.929 177.539 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -103.71 140.95 36.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.14 0.495 . . . . 75.45 111.406 -176.609 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.423 ' HB3' HD11 ' B' ' 3' ' ' ILE . 15.3 t70 -130.26 126.09 36.43 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 114.806 -1.088 . . . . 62.1 108.763 -179.484 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.793 HG13 HG22 ' A' ' 134' ' ' VAL . 0.7 OUTLIER -132.54 119.29 38.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-O 121.621 0.724 . . . . 41.42 111.499 -178.883 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.446 ' CD ' HH21 ' A' ' 135' ' ' ARG . 29.9 tt0 -108.89 130.46 55.43 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.491 -0.777 . . . . 51.52 110.128 -179.536 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.494 HD11 ' CE2' ' A' ' 54' ' ' TYR . 94.9 mt -114.19 117.47 31.29 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.421 -0.354 . . . . 73.33 110.794 -176.125 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.547 ' HA ' ' O ' ' A' ' 137' ' ' VAL . 35.7 ttt180 -99.53 117.53 34.13 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.303 -0.628 . . . . 73.43 109.303 177.216 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 46.8 t -105.71 98.37 6.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 N-CA-C 110.284 -0.265 . . . . 72.23 110.284 -174.623 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -92.0 101.52 14.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.902 0.382 . . . . 73.1 110.798 -178.104 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 6.1 mt -111.64 117.5 48.7 Favored Pre-proline 0 C--N 1.326 -0.428 0 CA-C-N 115.928 -0.578 . . . . 73.31 109.662 176.226 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 68.0 Cg_endo -73.84 150.04 43.54 Favored 'Trans proline' 0 N--CA 1.462 -0.36 0 C-N-CA 122.764 2.309 . . . . 73.52 112.702 -177.159 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 68.97 15.16 69.05 Favored Glycine 0 CA--C 1.522 0.485 0 CA-C-N 115.391 -0.822 . . . . 54.45 112.955 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.472 HD21 ' HA ' ' A' ' 111' ' ' ALA . 40.1 tp -116.47 143.15 45.94 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-O 120.823 0.344 . . . . 65.03 111.222 -174.074 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -77.57 163.48 26.23 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 116.057 -0.519 . . . . 72.42 110.448 176.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.5 ' O ' ' HG3' ' A' ' 112' ' ' LYS . . . -68.29 -44.75 74.81 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.65 -0.705 . . . . 74.35 109.834 169.812 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -59.87 -48.13 82.95 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 115.562 -0.744 . . . . 64.13 110.939 -177.203 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.554 ' O ' HG22 ' A' ' 113' ' ' THR . . . -70.74 -42.57 70.32 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.897 -0.592 . . . . 73.25 110.114 178.702 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . 0.472 ' HA ' HD21 ' A' ' 106' ' ' LEU . . . -54.46 -39.87 67.88 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.157 -0.474 . . . . 54.13 111.613 179.761 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.5 ' HG3' ' O ' ' A' ' 108' ' ' ALA . 68.5 mttm -53.33 -42.78 67.09 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 116.699 -0.228 . . . . 74.23 111.345 -179.849 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . 0.554 HG22 ' O ' ' A' ' 110' ' ' ALA . 2.8 t -81.13 -38.63 26.89 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 120.923 0.392 . . . . 74.22 110.659 -177.6 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.414 ' HG ' ' O ' ' A' ' 110' ' ' ALA . 49.0 mt -64.58 -43.74 92.88 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.301 -0.409 . . . . 61.01 110.756 -177.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 92.1 t -66.84 -32.64 58.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.123 -0.49 . . . . 72.22 110.225 177.415 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . 0.416 ' O ' ' HB2' ' A' ' 120' ' ' HIS . 21.2 t70 -62.33 -61.5 2.41 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 116.395 -0.366 . . . . 63.5 110.11 178.233 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 14.6 ptm180 -59.14 -42.02 89.69 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-N 115.748 -0.66 . . . . 65.24 110.983 -178.034 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.479 ' HB1' ' SD ' ' A' ' 62' ' ' MET . . . -60.4 -46.64 89.27 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 121.307 0.575 . . . . 63.41 110.425 177.49 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . 0.482 ' HE1' ' HB3' ' A' ' 129' ' ' ARG . 48.4 t-80 -85.13 9.87 13.74 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 115.706 -0.679 . . . . 74.13 110.414 -179.034 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . 0.416 ' HB2' ' O ' ' A' ' 116' ' ' ASP . 4.9 t60 -108.63 -36.12 6.26 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 116.119 -0.491 . . . . 75.14 110.439 178.28 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 33.3 m -82.2 -34.84 12.61 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.397 0 N-CA-C 112.23 0.455 . . . . 74.54 112.23 -176.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 76.6 m -69.13 131.27 90.7 Favored Pre-proline 0 CA--C 1.536 0.416 0 CA-C-N 116.799 -0.182 . . . . 72.12 111.055 -176.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 13.0 Cg_endo -55.19 -51.33 10.4 Favored 'Trans proline' 0 C--N 1.355 0.901 0 C-N-CA 123.065 2.51 . . . . 74.45 112.37 -177.469 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 22.7 m-85 -54.03 -43.53 70.23 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 121.181 0.515 . . . . 65.44 109.722 178.008 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . 0.514 ' O ' HG22 ' A' ' 128' ' ' THR . 70.3 m -59.24 -40.76 86.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.213 -0.903 . . . . 62.44 112.183 -174.398 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 93.6 m-20 -72.25 -48.65 41.06 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.299 0.571 . . . . 73.42 110.094 179.266 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . 0.411 ' O ' ' HB3' ' A' ' 131' ' ' ASN . . . -70.16 -1.74 11.03 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.689 -0.687 . . . . 54.1 111.927 -179.154 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . 0.578 HG23 HG21 ' A' ' 134' ' ' VAL . 2.6 t -112.99 -21.01 11.32 Favored 'General case' 0 N--CA 1.452 -0.33 0 N-CA-C 109.978 -0.378 . . . . 73.21 109.978 -178.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . 0.482 ' HB3' ' HE1' ' A' ' 119' ' ' HIS . 17.7 ptt180 -101.64 -47.7 4.55 Favored 'General case' 0 CA--C 1.517 -0.315 0 N-CA-C 109.183 -0.673 . . . . 72.04 109.183 -176.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' ASN . . . . . 0.408 ' N ' ' HG3' ' A' ' 129' ' ' ARG . 15.8 m120 -78.61 -36.57 43.99 Favored 'General case' 0 N--CA 1.446 -0.669 0 CA-C-N 115.284 -0.871 . . . . 71.52 110.192 -177.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . 0.411 ' HB3' ' O ' ' A' ' 127' ' ' ALA . 2.3 t-20 -96.84 -22.91 16.64 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 115.878 -0.601 . . . . 72.12 111.718 -175.733 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . 0.629 HG12 ' H ' ' A' ' 133' ' ' ALA . 11.5 t -132.77 175.2 11.93 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.646 0 N-CA-C 109.938 -0.393 . . . . 70.22 109.938 -174.057 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . 0.629 ' H ' HG12 ' A' ' 132' ' ' VAL . . . -99.17 95.85 7.37 Favored 'General case' 0 C--O 1.243 0.756 0 CA-C-O 121.572 0.701 . . . . 45.42 112.202 -175.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . 0.793 HG22 HG13 ' A' ' 97' ' ' VAL . 95.1 t -116.35 129.35 72.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 114.888 -1.051 . . . . 75.02 111.025 176.117 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . 0.446 HH21 ' CD ' ' A' ' 98' ' ' GLU . 1.9 tmm_? -105.55 123.38 47.81 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 108.668 -0.864 . . . . 72.41 108.668 175.591 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.447 HD23 ' HB2' ' A' ' 99' ' ' LEU . 39.0 mt -94.57 133.82 37.79 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.265 0.555 . . . . 50.04 111.211 -177.282 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . 0.547 ' O ' ' HA ' ' A' ' 100' ' ' ARG . 0.1 OUTLIER -133.46 115.23 22.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.326 -0.852 . . . . 74.42 109.242 175.291 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 2.5 m -88.38 138.71 18.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 N-CA-C 109.834 -0.432 . . . . 53.11 109.834 -177.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.321 -0.673 0 CA-C-N 116.264 -0.425 . . . . 73.13 110.885 -176.124 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.456 ' HE3' HD13 ' B' ' 3' ' ' ILE . 15.9 ptt? . . . . . 0 C--O 1.234 0.262 0 CA-C-O 120.927 0.394 . . . . 72.42 111.0 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 41.8 t30 -72.94 76.0 1.18 Allowed 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 115.889 -0.596 . . . . 61.35 110.604 176.145 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . 0.543 HG21 ' HB2' ' B' ' 6' ' ' LYS . 33.9 mm -73.42 132.7 33.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.901 -0.59 . . . . 72.42 111.82 175.753 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.706 ' HG ' ' HD3' ' A' ' 87' ' ' PRO . 87.6 mt -91.39 -44.27 9.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.465 -0.789 . . . . 75.25 110.039 174.768 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 5' ' ' TYR . . . . . . . . . . . . . 35.0 t80 -136.05 129.52 32.08 Favored 'General case' 0 C--O 1.224 -0.282 0 CA-C-N 116.026 -0.534 . . . . 75.45 110.24 -178.662 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . 0.543 ' HB2' HG21 ' B' ' 3' ' ' ILE . 30.4 ttmt -137.52 141.23 41.45 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.087 0.47 . . . . 65.01 111.148 177.676 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 10.1 t -137.64 170.55 15.88 Favored 'General case' 0 C--O 1.237 0.439 0 CA-C-N 115.453 -0.794 . . . . 72.52 109.279 177.441 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -133.46 145.5 50.29 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.155 0.502 . . . . 64.22 111.178 -176.054 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . 0.432 ' HA ' ' H ' ' B' ' 22' ' ' HIS . . . -141.37 118.29 11.16 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.771 -0.65 . . . . 31.45 109.481 176.225 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . 0.53 ' HA ' ' HA ' ' A' ' 80' ' ' THR . 12.5 t -101.13 156.21 17.55 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.32 -0.4 . . . . 64.31 110.083 -175.42 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 58.9 p -137.74 113.43 9.63 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.774 0.321 . . . . 74.14 110.819 -177.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 4.9 m -102.84 160.54 14.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.043 -0.526 . . . . 53.42 110.607 -177.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -77.64 72.8 2.15 Favored Glycine 0 CA--C 1.521 0.436 0 C-N-CA 120.976 -0.631 . . . . 71.12 111.917 173.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -57.52 -92.74 0.01 OUTLIER Glycine 0 C--N 1.34 0.771 0 C-N-CA 121.74 -0.267 . . . . 73.4 112.642 179.595 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 12.3 tpt180 -88.62 -55.56 3.66 Favored 'General case' 0 N--CA 1.462 0.15 0 N-CA-C 108.28 -1.007 . . . . 65.14 108.28 172.635 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 16' ' ' ASP . . . . . 0.401 ' O ' ' NZ ' ' A' ' 63' ' ' LYS . 24.1 t0 -126.2 -41.95 1.88 Allowed 'General case' 0 C--O 1.236 0.349 0 CA-C-N 114.639 -1.164 . . . . 65.33 108.23 167.383 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -150.79 151.38 23.39 Favored Glycine 0 N--CA 1.446 -0.648 0 CA-C-N 115.623 -0.717 . . . . 74.22 111.769 171.642 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 18' ' ' ARG . . . . . 0.51 ' HG3' ' O ' ' B' ' 28' ' ' VAL . 16.3 ttp180 -134.5 145.72 49.05 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 108.71 -0.848 . . . . 74.4 108.71 175.029 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 19' ' ' ALA . . . . . 0.567 ' HB2' ' HB2' ' A' ' 56' ' ' ALA . . . -127.65 123.62 36.01 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 108.808 -0.812 . . . . 64.21 108.808 177.367 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 23.8 m -137.52 113.01 9.4 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 116.274 -0.421 . . . . 75.11 110.649 -172.706 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 21' ' ' SER . . . . . 0.525 ' HB3' ' N ' ' B' ' 26' ' ' LEU . 43.7 t -69.82 111.38 5.52 Favored 'General case' 0 C--O 1.246 0.9 0 N-CA-C 107.458 -1.312 . . . . 74.21 107.458 175.007 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 22' ' ' HIS . . . . . 0.432 ' H ' ' HA ' ' B' ' 9' ' ' ALA . 10.4 t-80 -48.34 -37.45 16.66 Favored 'General case' 0 N--CA 1.469 0.515 0 O-C-N 126.106 2.129 . . . . 73.12 113.178 -165.204 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . 0.406 ' HB3' ' HE2' ' B' ' 25' ' ' LYS . 1.4 m-20 -80.66 26.08 0.41 Allowed 'General case' 0 C--N 1.317 -0.833 0 CA-C-O 120.94 0.4 . . . . 63.54 110.895 -175.456 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . 0.408 ' H ' ' C ' ' B' ' 22' ' ' HIS . 28.0 mm-40 68.4 15.72 9.23 Favored 'General case' 0 CA--C 1.518 -0.279 0 CA-C-N 115.455 -0.793 . . . . 71.43 110.512 176.59 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.406 ' HE2' ' HB3' ' B' ' 23' ' ' ASP . 72.5 mmtt -74.92 -34.35 62.11 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 115.67 -0.695 . . . . 41.25 109.837 -179.809 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . 0.525 ' N ' ' HB3' ' B' ' 21' ' ' SER . 50.7 tp -148.68 147.67 29.17 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 120.312 -0.555 . . . . 71.52 111.784 -176.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -156.66 101.19 1.98 Allowed 'General case' 0 N--CA 1.464 0.27 0 O-C-N 123.803 0.69 . . . . 53.33 109.589 174.25 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . 0.51 ' O ' ' HG3' ' B' ' 18' ' ' ARG . 3.3 m -139.29 177.94 4.26 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.448 0 CA-C-N 116.011 -0.54 . . . . 74.12 110.767 179.501 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.505 ' HA ' ' HA ' ' B' ' 18' ' ' ARG . 16.8 ttmt -140.02 144.47 36.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.006 0.432 . . . . 64.31 111.221 -174.733 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . 0.621 ' N ' HD13 ' B' ' 30' ' ' LEU . 0.0 OUTLIER -134.08 175.25 9.65 Favored 'General case' 0 C--O 1.249 1.038 0 CA-C-N 115.485 -0.78 . . . . 72.32 110.701 176.107 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 41.0 p -170.91 144.39 2.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.714 -0.676 . . . . 62.35 110.433 -176.553 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -74.65 114.09 30.73 Favored Pre-proline 0 C--O 1.24 0.585 0 O-C-N 123.46 0.475 . . . . 75.13 111.488 -179.486 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 33' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -59.83 144.26 99.48 Favored 'Trans proline' 0 C--N 1.354 0.829 0 C-N-CA 122.588 2.192 . . . . 71.3 110.737 174.362 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 34' ' ' ARG . . . . . 0.594 ' HB2' ' N ' ' B' ' 40' ' ' GLY . 36.1 ttt85 -84.82 3.74 36.35 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.818 -0.353 . . . . 71.43 111.846 -171.641 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -53.72 -24.75 15.8 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-O 120.791 0.329 . . . . 72.42 111.774 177.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 72.6 mt -113.94 23.1 13.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.411 -0.359 . . . . 63.52 111.023 -177.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 81.65 31.77 32.18 Favored Glycine 0 C--N 1.332 0.323 0 C-N-CA 120.98 -0.628 . . . . 51.22 111.616 -176.317 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . 0.498 ' H ' ' HA ' ' B' ' 34' ' ' ARG . . . -86.8 -131.54 3.13 Favored Glycine 0 CA--C 1.519 0.307 0 CA-C-N 115.208 -0.496 . . . . 64.12 112.631 -177.595 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -105.67 -39.53 6.05 Favored 'General case' 0 N--CA 1.462 0.159 0 N-CA-C 112.084 0.402 . . . . 71.25 112.084 -173.376 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 40' ' ' GLY . . . . . 0.594 ' N ' ' HB2' ' B' ' 34' ' ' ARG . . . 102.35 31.59 5.21 Favored Glycine 0 C--N 1.328 0.136 0 C-N-CA 120.694 -0.765 . . . . 53.13 113.689 177.626 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -96.24 175.69 6.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.799 0.333 . . . . 45.11 110.708 177.634 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -109.34 9.54 25.69 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-O 121.049 0.452 . . . . 74.14 111.153 -173.593 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -71.78 -156.2 2.53 Favored Glycine 0 CA--C 1.522 0.518 0 CA-C-N 115.168 -0.924 . . . . 72.12 113.506 -177.687 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 44' ' ' THR . . . . . 0.597 ' H ' ' HA ' ' B' ' 30' ' ' LEU . 22.8 m -106.56 156.93 18.07 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 122.52 0.328 . . . . 35.03 110.95 -173.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 45' ' ' ASN . . . . . 0.521 ' HB2' ' HB2' ' B' ' 48' ' ' GLN . 40.4 m-80 -86.38 144.33 37.91 Favored Pre-proline 0 CA--C 1.534 0.359 0 N-CA-C 109.814 -0.439 . . . . 71.14 109.814 176.376 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 46' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' B' ' 45' ' ' ASN . 26.7 Cg_exo -63.29 -49.72 4.37 Favored 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 122.677 2.251 . . . . 54.41 112.272 179.616 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -63.88 -32.12 73.54 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 121.709 0.766 . . . . 73.03 109.681 -178.075 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . 0.521 ' HB2' ' HB2' ' B' ' 45' ' ' ASN . 64.9 tt0 -62.74 -42.5 99.7 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 114.25 -1.341 . . . . 65.22 110.213 177.746 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -68.7 -48.64 63.36 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 115.709 -0.678 . . . . 73.15 109.904 179.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -56.3 -46.7 79.67 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 116.303 -0.408 . . . . 74.53 110.723 178.642 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . 0.533 ' HB1' ' HB1' ' B' ' 81' ' ' ALA . . . -63.66 -52.23 61.61 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.284 -0.416 . . . . 63.22 111.597 -178.791 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.93 -54.16 48.14 Favored 'General case' 0 C--O 1.239 0.511 0 CA-C-O 121.222 0.534 . . . . 74.31 110.528 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -59.55 -50.61 65.91 Favored Glycine 0 N--CA 1.449 -0.482 0 CA-C-N 115.433 -0.803 . . . . 73.22 112.351 -179.538 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 6.2 t80 -59.73 -48.43 81.72 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.505 0.152 . . . . 73.14 110.939 -178.108 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 77.3 p -57.55 -51.59 68.85 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 109.895 -0.409 . . . . 71.55 109.895 -179.277 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.06 -43.26 91.71 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-O 121.072 0.463 . . . . 72.32 111.21 178.524 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 57' ' ' CYS . . . . . . . . . . . . . 97.3 m -64.75 -36.03 82.98 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.818 -0.628 . . . . 72.4 110.9 -178.051 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 30.3 t80 -60.92 -23.21 65.08 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 116.453 -0.34 . . . . 52.32 110.768 -174.361 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . 0.457 ' O ' ' HG3' ' B' ' 63' ' ' LYS . 8.7 mp -65.82 -45.81 80.9 Favored 'General case' 0 N--CA 1.463 0.202 0 N-CA-C 109.743 -0.466 . . . . 64.41 109.743 175.298 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 60' ' ' SER . . . . . 0.546 ' HA ' ' HD3' ' B' ' 63' ' ' LYS . 35.6 t -59.89 -43.54 94.72 Favored 'General case' 0 C--O 1.239 0.538 0 CA-C-O 121.332 0.587 . . . . 73.23 109.5 176.025 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . 0.426 ' O ' HG23 ' B' ' 65' ' ' VAL . . . -57.92 -41.54 82.91 Favored 'General case' 0 N--CA 1.457 -0.101 0 CA-C-N 115.484 -0.78 . . . . 44.1 110.123 176.408 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 62' ' ' MET . . . . . 0.482 ' SD ' ' HB1' ' B' ' 118' ' ' ALA . 81.9 mmm -67.75 -31.84 72.03 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-N 116.107 -0.497 . . . . 71.0 110.968 178.364 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . 0.546 ' HD3' ' HA ' ' B' ' 60' ' ' SER . 62.0 mtpt -65.96 -41.17 91.57 Favored 'General case' 0 C--O 1.234 0.242 0 N-CA-C 109.803 -0.443 . . . . 72.03 109.803 177.393 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 61.1 t80 -68.93 -46.83 67.23 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 116.227 -0.442 . . . . 73.11 110.276 175.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . 0.426 HG23 ' O ' ' B' ' 61' ' ' ALA . 42.0 t -54.86 -48.55 74.05 Favored 'Isoleucine or valine' 0 C--O 1.233 0.205 0 CA-C-N 116.193 -0.458 . . . . 75.05 110.54 178.38 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -58.53 -32.16 68.6 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.939 -0.573 . . . . 74.13 110.214 178.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -67.33 -31.57 77.4 Favored Glycine 0 N--CA 1.449 -0.473 0 CA-C-N 115.34 -0.845 . . . . 75.04 112.214 -178.5 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 68' ' ' GLN . . . . . 0.41 ' HG3' HD22 ' B' ' 69' ' ' ASN . 13.2 pt20 -98.99 -13.04 20.07 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 121.382 0.61 . . . . 64.5 109.827 -179.555 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 69' ' ' ASN . . . . . 0.41 HD22 ' HG3' ' B' ' 68' ' ' GLN . 1.0 OUTLIER -92.82 1.48 57.26 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.353 -0.84 . . . . 65.21 110.508 176.524 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 63.34 29.55 15.68 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 115.503 -0.771 . . . . 73.12 111.297 175.102 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -127.12 166.06 18.37 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.969 -0.56 . . . . 74.24 110.657 179.565 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 11.1 p -124.93 134.62 52.58 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.308 -0.405 . . . . 74.12 110.715 179.451 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . 0.482 HD22 HD21 ' B' ' 103' ' ' LEU . 95.2 mt -109.59 144.26 29.5 Favored Pre-proline 0 C--N 1.33 -0.242 0 CA-C-N 116.33 -0.395 . . . . 75.15 110.894 -179.466 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 74' ' ' PRO . . . . . 0.566 ' HD2' HD11 ' B' ' 103' ' ' LEU . 23.5 Cg_exo -66.07 144.09 74.45 Favored 'Trans proline' 0 C--N 1.35 0.649 0 C-N-CA 123.053 2.502 . . . . 62.01 112.909 179.849 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -76.74 -22.08 54.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.603 0.716 . . . . 71.53 111.009 178.732 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -80.72 22.84 0.56 Allowed 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.161 -0.927 . . . . 60.22 111.493 -172.5 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 77' ' ' THR . . . . . 0.524 ' HA ' ' HD3' ' B' ' 104' ' ' PRO . 9.9 t -87.94 162.09 17.08 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-N 115.997 -0.547 . . . . 73.25 112.118 -175.296 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 1.2 p -150.92 152.37 33.52 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 115.238 -0.892 . . . . 71.23 110.697 -177.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 79' ' ' VAL . . . . . 0.428 ' CG2' HD11 ' B' ' 59' ' ' LEU . 59.8 t -136.78 157.86 36.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 N-CA-C 108.781 -0.822 . . . . 54.24 108.781 178.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 85.6 m -135.73 122.04 20.46 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 122.021 -0.424 . . . . 72.42 110.64 174.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 81' ' ' ALA . . . . . 0.533 ' HB1' ' HB1' ' B' ' 51' ' ' ALA . . . -104.05 111.08 23.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.681 -0.691 . . . . 73.43 109.894 178.249 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 82' ' ' GLU . . . . . 0.404 ' HG3' ' HB2' ' A' ' 8' ' ' ALA . 27.7 tt0 -113.99 110.85 20.7 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.647 -0.501 . . . . 71.23 109.647 -177.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . 0.416 ' O ' ' HG3' ' A' ' 6' ' ' LYS . 93.6 t -103.32 136.61 35.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.198 -0.455 . . . . 71.44 111.24 -174.089 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 84' ' ' GLY . . . . . . . . . . . . . . . -136.32 162.65 25.11 Favored Glycine 0 N--CA 1.441 -0.981 0 N-CA-C 111.522 -0.631 . . . . 52.45 111.522 177.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -145.23 134.84 18.3 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.827 0 N-CA-C 109.155 -0.683 . . . . 73.1 109.155 178.695 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 86' ' ' GLY . . . . . 0.41 ' HA2' ' HG ' ' A' ' 4' ' ' LEU . . . -147.4 170.02 28.26 Favored Glycine 0 C--O 1.23 -0.128 0 N-CA-C 111.078 -0.809 . . . . 52.3 111.078 -179.477 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 87' ' ' PRO . . . . . 0.675 ' HD3' ' HG ' ' A' ' 4' ' ' LEU . 23.6 Cg_exo -61.93 129.99 29.42 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.379 2.053 . . . . 61.3 111.714 -177.724 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 88' ' ' ASN . . . . . 0.477 ' HB2' ' C ' ' B' ' 93' ' ' PHE . 47.9 t-20 -81.96 147.45 29.23 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.786 -0.643 . . . . 72.3 109.936 -178.798 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -61.34 -23.47 65.77 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.181 0.515 . . . . 65.22 110.162 177.404 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -67.07 -22.78 65.83 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 115.208 -0.906 . . . . 74.05 110.889 175.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.29 10.11 34.71 Favored Glycine 0 CA--C 1.52 0.36 0 CA-C-N 115.971 -0.559 . . . . 72.2 112.238 -175.544 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . -117.11 -126.55 3.8 Favored Glycine 0 CA--C 1.52 0.351 0 N-CA-C 111.545 -0.622 . . . . 70.13 111.545 177.262 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 93' ' ' PHE . . . . . 0.477 ' C ' ' HB2' ' B' ' 88' ' ' ASN . 18.4 m-85 -123.04 148.36 45.66 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.024 0.44 . . . . 73.12 110.617 179.148 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -128.59 127.73 42.85 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.714 -0.676 . . . . 62.21 109.361 179.767 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -96.28 143.02 27.73 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.044 0.45 . . . . 74.21 110.989 -177.202 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 96' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -128.6 110.3 12.12 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 114.958 -1.019 . . . . 73.53 109.264 -178.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 97' ' ' VAL . . . . . . . . . . . . . 51.7 t -114.23 110.73 33.16 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.041 0 CA-C-O 120.732 0.301 . . . . 65.34 110.245 -178.279 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -101.35 111.55 23.8 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.377 -0.374 . . . . 74.42 110.256 -177.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 88.9 mt -103.86 107.1 17.83 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-N 116.238 -0.437 . . . . 61.12 110.205 179.277 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 100' ' ' ARG . . . . . 0.511 ' HA ' HG13 ' B' ' 137' ' ' VAL . 53.2 ttt180 -99.42 119.8 38.57 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.015 -0.539 . . . . 64.11 109.933 -179.122 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 101' ' ' VAL . . . . . . . . . . . . . 93.7 t -103.68 106.41 20.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.351 -0.386 . . . . 60.12 111.322 -174.695 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -104.1 101.19 10.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.902 0.382 . . . . 53.32 110.264 176.55 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 103' ' ' LEU . . . . . 0.851 HD23 HD22 ' B' ' 106' ' ' LEU . 32.0 tp -110.84 122.66 37.5 Favored Pre-proline 0 C--N 1.329 -0.309 0 N-CA-C 108.783 -0.821 . . . . 72.24 108.783 178.823 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 104' ' ' PRO . . . . . 0.535 ' HD2' HD12 ' B' ' 103' ' ' LEU . 70.7 Cg_endo -73.01 150.96 49.52 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.224 1.949 . . . . 74.24 112.348 -176.389 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 105' ' ' GLY . . . . . . . . . . . . . . . 66.72 14.78 63.37 Favored Glycine 0 CA--C 1.521 0.423 0 CA-C-N 115.539 -0.755 . . . . 72.34 112.886 -179.014 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 106' ' ' LEU . . . . . 0.851 HD22 HD23 ' B' ' 103' ' ' LEU . 26.6 tp -113.79 136.91 52.34 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-O 121.209 0.528 . . . . 60.53 111.133 -177.201 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -75.48 148.23 39.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.231 -0.895 . . . . 63.12 110.176 175.478 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 108' ' ' ALA . . . . . 0.405 ' O ' ' HG3' ' B' ' 112' ' ' LYS . . . -66.11 -41.52 90.46 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.878 0.371 . . . . 34.32 110.891 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -59.38 -46.82 87.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.027 -0.533 . . . . 64.51 110.295 178.727 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 110' ' ' ALA . . . . . 0.576 ' O ' HG22 ' B' ' 113' ' ' THR . . . -67.78 -39.91 84.04 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.692 -0.686 . . . . 72.03 110.24 178.126 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 111' ' ' ALA . . . . . 0.476 ' HA ' HD21 ' B' ' 106' ' ' LEU . . . -55.07 -43.94 74.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.851 -0.613 . . . . 64.14 110.829 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 112' ' ' LYS . . . . . 0.405 ' HG3' ' O ' ' B' ' 108' ' ' ALA . 53.9 mtpt -53.35 -42.31 66.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.687 -0.688 . . . . 74.45 111.663 178.732 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 113' ' ' THR . . . . . 0.576 HG22 ' O ' ' B' ' 110' ' ' ALA . 1.3 t -79.69 -35.22 39.44 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-O 120.709 0.29 . . . . 72.03 110.663 -176.326 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 114' ' ' LEU . . . . . 0.513 ' HG ' ' O ' ' B' ' 110' ' ' ALA . 51.4 mt -66.08 -49.18 68.51 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-O 120.935 0.398 . . . . 70.23 110.201 -179.257 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 115' ' ' VAL . . . . . 0.576 HG21 HG12 ' B' ' 138' ' ' VAL . 73.5 t -58.75 -40.38 79.49 Favored 'Isoleucine or valine' 0 C--O 1.239 0.534 0 CA-C-N 115.806 -0.634 . . . . 63.55 110.25 176.477 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -58.93 -61.44 2.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.405 -0.816 . . . . 75.43 111.053 -178.733 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 117' ' ' ARG . . . . . 0.434 ' HG2' ' O ' ' B' ' 113' ' ' THR . 15.9 ptm180 -61.38 -44.12 97.7 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 115.869 -0.605 . . . . 70.2 110.984 -177.141 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 118' ' ' ALA . . . . . 0.482 ' HB1' ' SD ' ' B' ' 62' ' ' MET . . . -58.6 -49.76 76.31 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-O 120.978 0.418 . . . . 61.11 111.363 -177.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 119' ' ' HIS . . . . . 0.476 ' CE1' HG13 ' B' ' 115' ' ' VAL . 65.6 m80 -74.83 -5.2 42.23 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.218 -0.446 . . . . 74.31 111.934 -175.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 13.6 t-80 -103.77 -34.73 8.46 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-O 120.61 0.243 . . . . 61.52 110.699 179.676 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 32.9 m -81.5 -30.33 10.85 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.26 0 CA-C-O 120.952 0.406 . . . . 63.42 110.416 178.08 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 122' ' ' CYS . . . . . . . . . . . . . 53.0 t -123.26 77.57 52.82 Favored Pre-proline 0 C--N 1.331 -0.234 0 N-CA-C 109.615 -0.513 . . . . 74.53 109.615 176.043 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 123' ' ' PRO . . . . . . . . . . . . . 87.2 Cg_endo -101.26 107.56 0.04 OUTLIER 'Trans proline' 0 N--CA 1.45 -1.046 0 C-N-CA 123.392 2.728 . . . . 65.25 113.198 -177.565 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 124' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -64.81 87.77 0.06 Allowed 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 108.938 -0.764 . . . . 65.35 108.938 170.792 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 125' ' ' SER . . . . . 0.501 ' O ' HG22 ' B' ' 128' ' ' THR . 49.6 m 66.39 107.84 0.04 OUTLIER 'General case' 0 CA--C 1.539 0.528 0 O-C-N 123.858 0.724 . . . . 64.23 111.582 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 126' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 -64.23 -38.03 89.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.794 -0.639 . . . . 74.24 110.013 176.317 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 127' ' ' ALA . . . . . 0.495 ' O ' ' HB3' ' B' ' 131' ' ' ASN . . . -68.29 1.13 3.13 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.419 -0.81 . . . . 65.3 111.848 -179.437 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 128' ' ' THR . . . . . 0.501 HG22 ' O ' ' B' ' 125' ' ' SER . 0.6 OUTLIER -111.44 -6.8 14.41 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-O 120.754 0.311 . . . . 55.14 110.608 179.479 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 129' ' ' ARG . . . . . . . . . . . . . 10.6 ptp180 -125.57 -40.51 2.08 Favored 'General case' 0 N--CA 1.463 0.193 0 N-CA-C 111.741 0.274 . . . . 75.21 111.741 -176.151 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 130' ' ' ASN . . . . . . . . . . . . . 55.7 m-80 -78.67 -36.84 43.14 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 121.145 0.498 . . . . 74.14 109.71 174.502 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 131' ' ' ASN . . . . . 0.495 ' HB3' ' O ' ' B' ' 127' ' ' ALA . 28.5 t-20 -81.95 -43.84 17.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.679 -0.691 . . . . 75.43 110.832 -179.474 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 132' ' ' VAL . . . . . 0.409 ' HB ' ' O ' ' B' ' 128' ' ' THR . 21.6 t -98.07 155.67 3.72 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.301 0 CA-C-N 116.082 -0.508 . . . . 52.13 110.49 -177.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 133' ' ' ALA . . . . . . . . . . . . . . . -79.68 103.1 9.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.308 0.575 . . . . 72.23 111.279 -177.481 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 134' ' ' VAL . . . . . . . . . . . . . 46.8 t -123.73 110.46 25.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.483 -0.78 . . . . 61.1 110.039 177.202 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 82.1 mtt180 -76.62 114.43 15.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.97 -0.559 . . . . 74.32 110.407 -179.231 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 33.7 mt -91.46 109.1 20.39 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.335 -0.617 . . . . 72.41 109.335 170.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 137' ' ' VAL . . . . . 0.511 HG13 ' HA ' ' B' ' 100' ' ' ARG . 0.2 OUTLIER -125.95 128.88 72.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.731 -0.668 . . . . 72.22 110.441 -175.216 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 138' ' ' VAL . . . . . 0.576 HG12 HG21 ' B' ' 115' ' ' VAL . 3.1 m -98.71 138.35 23.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 115.937 -0.574 . . . . 70.52 110.076 -179.292 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 139' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.045 0 CA-C-N 115.704 -0.68 . . . . 71.35 110.511 -176.631 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.519 ' SD ' ' HB2' ' B' ' 96' ' ' ASP . 25.7 ptm . . . . . 0 N--CA 1.487 1.42 0 CA-C-O 121.03 0.443 . . . . 71.43 110.791 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.429 ' O ' ' HA3' ' B' ' 86' ' ' GLY . 49.7 t30 -91.11 84.15 5.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.807 -0.633 . . . . 75.52 109.631 -178.868 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.544 HG21 ' HB2' ' A' ' 6' ' ' LYS . 27.0 mm -76.67 131.49 34.75 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-N 115.838 -0.619 . . . . 51.02 112.367 -178.429 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.666 ' HG ' ' HD3' ' B' ' 87' ' ' PRO . 81.7 mt -90.93 -44.06 9.6 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-N 115.216 -0.902 . . . . 74.21 109.723 172.307 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 23.6 t80 -136.04 129.63 32.27 Favored 'General case' 0 C--O 1.221 -0.403 0 CA-C-N 115.582 -0.735 . . . . 54.43 109.911 -177.537 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.544 ' HB2' HG21 ' A' ' 3' ' ' ILE . 28.1 ttmt -142.28 132.65 24.99 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.026 0.441 . . . . 62.42 110.125 174.698 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 12.3 t -134.53 149.8 50.7 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.389 -0.823 . . . . 73.02 109.865 -178.309 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.471 ' HA ' ' HA ' ' B' ' 82' ' ' GLU . . . -112.57 151.3 30.21 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-O 121.128 0.49 . . . . 64.34 111.685 -174.02 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.483 ' HA ' ' H ' ' A' ' 22' ' ' HIS . . . -143.66 126.88 16.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.847 -0.615 . . . . 65.14 110.08 176.287 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.493 HG23 ' HB ' ' A' ' 20' ' ' THR . 4.8 t -99.41 137.06 38.45 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.465 -0.334 . . . . 73.43 110.114 178.68 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 58.7 p -126.06 113.52 17.2 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.122 0.487 . . . . 71.32 110.495 179.138 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 4.9 m -106.4 161.91 14.16 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.169 -0.469 . . . . 72.12 110.746 -178.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -79.52 72.93 2.46 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 121.017 -0.611 . . . . 62.44 111.727 174.463 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -60.08 -101.78 0.01 OUTLIER Glycine 0 C--N 1.338 0.667 0 C-N-CA 121.455 -0.402 . . . . 62.02 112.368 178.258 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.419 ' HG2' ' HB2' ' A' ' 41' ' ' ALA . 10.3 tpt180 -82.72 -54.6 5.01 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 108.985 -0.746 . . . . 73.04 108.985 174.504 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.524 ' HB3' ' HA ' ' A' ' 31' ' ' SER . 22.0 t70 -125.62 -41.8 1.98 Allowed 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 107.764 -1.199 . . . . 74.22 107.764 169.176 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -154.56 159.33 28.86 Favored Glycine 0 N--CA 1.445 -0.733 0 CA-C-N 115.273 -0.876 . . . . 73.12 110.912 170.38 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.611 ' HA ' ' HA ' ' A' ' 29' ' ' LYS . 56.4 ttp180 -137.6 147.69 45.24 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 109.346 -0.612 . . . . 73.24 109.346 176.799 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.449 ' HB2' ' HB2' ' B' ' 56' ' ' ALA . . . -130.44 123.55 30.03 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.855 -0.424 . . . . 71.12 109.855 177.104 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.493 ' HB ' HG23 ' A' ' 10' ' ' THR . 27.9 m -133.27 111.01 10.49 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.69 -0.686 . . . . 63.53 110.039 -179.221 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.479 ' HB3' ' N ' ' A' ' 26' ' ' LEU . 44.8 t -68.47 108.73 3.39 Favored 'General case' 0 C--O 1.246 0.875 0 N-CA-C 107.49 -1.3 . . . . 62.3 107.49 177.53 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.483 ' H ' ' HA ' ' A' ' 9' ' ' ALA . 31.8 t60 -56.16 -23.52 35.44 Favored 'General case' 0 N--CA 1.47 0.528 0 O-C-N 125.783 1.927 . . . . 71.44 112.563 -165.19 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.434 ' CB ' ' HE3' ' A' ' 25' ' ' LYS . 4.2 m-20 -80.3 19.46 0.76 Allowed 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 109.708 -0.479 . . . . 73.43 109.708 179.578 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.44 ' H ' ' C ' ' A' ' 22' ' ' HIS . 29.7 mm-40 69.87 16.59 7.72 Favored 'General case' 0 CA--C 1.519 -0.229 0 CA-C-N 115.192 -0.913 . . . . 72.53 110.03 176.66 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.434 ' HE3' ' CB ' ' A' ' 23' ' ' ASP . 95.1 mttt -78.62 -35.33 45.71 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-N 115.113 -0.949 . . . . 73.44 111.003 -178.646 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.479 ' N ' ' HB3' ' A' ' 21' ' ' SER . 56.0 tp -145.69 147.85 32.4 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 120.141 -0.624 . . . . 74.42 111.634 -175.541 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -156.96 94.89 1.47 Allowed 'General case' 0 N--CA 1.463 0.219 0 O-C-N 123.558 0.536 . . . . 74.13 110.413 177.026 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.4 ' O ' ' HG3' ' A' ' 18' ' ' ARG . 4.3 m -145.01 177.3 1.78 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.422 0 CA-C-N 116.264 -0.425 . . . . 62.12 110.685 177.181 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.611 ' HA ' ' HA ' ' A' ' 18' ' ' ARG . 0.0 OUTLIER -131.42 147.32 52.55 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.249 -0.432 . . . . 62.42 110.733 -176.904 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.69 ' HA ' ' H ' ' A' ' 44' ' ' THR . 0.0 OUTLIER -130.32 165.78 21.78 Favored 'General case' 0 C--O 1.244 0.773 0 CA-C-N 116.205 -0.452 . . . . 64.12 110.802 178.8 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.524 ' HA ' ' HB3' ' A' ' 16' ' ' ASP . 47.2 m -161.09 177.44 10.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.874 -0.603 . . . . 75.34 110.278 -175.304 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.456 ' O ' ' HA3' ' A' ' 38' ' ' GLY . . . -88.79 149.05 42.96 Favored Pre-proline 0 C--N 1.326 -0.454 0 CA-C-N 115.885 -0.598 . . . . 52.21 110.139 179.857 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.519 ' HG3' ' ND2' ' A' ' 45' ' ' ASN . 31.3 Cg_exo -61.35 125.12 16.12 Favored 'Trans proline' 0 C--O 1.234 0.306 0 C-N-CA 122.584 2.189 . . . . 73.33 112.38 -179.316 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.433 ' HG2' ' HA2' ' A' ' 40' ' ' GLY . 0.5 OUTLIER -52.2 -27.75 15.8 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 120.847 0.356 . . . . 50.12 110.834 173.586 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 17.3 mp0 -56.78 -34.76 67.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.567 -0.742 . . . . 75.14 110.569 176.657 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 72.4 mt -107.53 14.97 25.27 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.846 -0.615 . . . . 63.44 110.809 -176.616 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.32 36.44 8.83 Favored Glycine 0 CA--C 1.519 0.309 0 C-N-CA 121.06 -0.59 . . . . 72.22 112.576 179.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.456 ' HA3' ' O ' ' A' ' 32' ' ' ALA . . . -66.7 -7.63 42.61 Favored Glycine 0 C--N 1.334 0.451 0 C-N-CA 121.559 -0.353 . . . . 73.44 113.559 -179.823 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . 77.07 -0.65 2.92 Favored 'General case' 0 N--CA 1.448 -0.572 0 C-N-CA 123.737 0.815 . . . . 63.22 111.352 172.367 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.433 ' HA2' ' HG2' ' A' ' 34' ' ' ARG . . . 102.76 102.23 2.67 Favored Glycine 0 N--CA 1.433 -1.5 0 CA-C-N 115.107 -0.951 . . . . 45.53 113.787 163.795 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.419 ' HB2' ' HG2' ' A' ' 15' ' ' ARG . . . -164.55 146.14 8.28 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.85 -0.426 . . . . 44.21 109.85 173.411 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -101.24 35.82 2.15 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.867 -0.606 . . . . 71.23 110.517 -177.626 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -82.64 -123.9 0.82 Allowed Glycine 0 CA--C 1.521 0.428 0 CA-C-N 115.703 -0.68 . . . . 55.55 112.559 -179.372 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.69 ' H ' ' HA ' ' A' ' 30' ' ' LEU . 92.5 m -140.87 151.31 44.19 Favored 'General case' 0 N--CA 1.45 -0.46 0 N-CA-C 109.964 -0.384 . . . . 74.01 109.964 -178.566 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.519 ' ND2' ' HG3' ' A' ' 33' ' ' PRO . 1.1 m-20 -84.73 139.5 37.74 Favored Pre-proline 0 CA--C 1.534 0.332 0 N-CA-C 110.044 -0.354 . . . . 72.33 110.044 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.586 ' HB3' ' SG ' ' B' ' 57' ' ' CYS . 38.4 Cg_exo -58.86 -59.75 0.43 Allowed 'Trans proline' 0 CA--C 1.536 0.596 0 C-N-CA 123.204 2.603 . . . . 63.04 113.176 -177.044 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.513 ' CD ' ' H ' ' A' ' 47' ' ' GLU . 2.8 mp0 -56.16 -39.7 72.71 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-O 121.733 0.778 . . . . 62.13 109.48 -179.052 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.478 HE21 HG23 ' A' ' 44' ' ' THR . 25.5 tt0 -61.76 -41.11 97.27 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 114.426 -1.261 . . . . 72.35 110.813 178.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.508 HD12 ' HA3' ' B' ' 53' ' ' GLY . 2.5 tm? -65.27 -49.35 69.88 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 115.74 -0.664 . . . . 71.11 109.701 -178.702 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 61.2 t80 -60.61 -44.2 96.58 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 116.346 -0.388 . . . . 64.45 110.369 177.69 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.508 ' HB2' HG11 ' A' ' 83' ' ' VAL . . . -54.08 -53.01 58.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 52.03 111.436 177.855 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.39 -45.59 93.0 Favored 'General case' 0 C--O 1.236 0.342 0 CA-C-N 116.083 -0.508 . . . . 51.43 110.613 -179.514 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.553 ' HA3' HD12 ' B' ' 49' ' ' LEU . . . -65.13 -37.4 94.08 Favored Glycine 0 N--CA 1.449 -0.463 0 CA-C-N 115.784 -0.644 . . . . 45.35 112.46 -179.812 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.425 ' HE1' ' SG ' ' A' ' 122' ' ' CYS . 4.7 t80 -75.24 -37.78 60.87 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 122.25 0.22 . . . . 71.4 110.739 -177.446 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.494 ' HB3' ' HB2' ' A' ' 81' ' ' ALA . 17.0 p -66.3 -44.02 84.67 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.012 0.434 . . . . 50.31 109.845 177.273 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.523 ' HB1' HD21 ' B' ' 30' ' ' LEU . . . -64.24 -40.2 95.54 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 115.857 -0.61 . . . . 72.41 110.301 175.283 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.751 ' SG ' ' HB3' ' B' ' 46' ' ' PRO . 44.0 t -62.7 -36.65 83.64 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.606 -0.724 . . . . 74.4 110.274 176.625 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -64.0 -40.7 96.95 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.988 -0.551 . . . . 64.12 109.623 -178.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 85.6 mt -65.01 -43.34 92.81 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.569 -0.742 . . . . 74.12 110.285 176.542 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 34.7 m -62.24 -44.67 96.02 Favored 'General case' 0 C--O 1.239 0.544 0 CA-C-N 115.841 -0.618 . . . . 74.4 110.198 178.214 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.428 ' O ' HG23 ' A' ' 65' ' ' VAL . . . -60.76 -47.2 87.37 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-N 115.315 -0.857 . . . . 64.15 110.05 178.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 85.2 mmm -62.23 -34.61 76.83 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.253 -0.43 . . . . 61.32 110.954 178.701 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 8.3 ttpm? -65.42 -43.41 90.64 Favored 'General case' 0 C--O 1.233 0.214 0 N-CA-C 109.969 -0.382 . . . . 62.32 109.969 178.559 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 77.4 t80 -67.04 -49.09 66.3 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 116.18 -0.464 . . . . 70.35 110.602 177.332 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.428 HG23 ' O ' ' A' ' 61' ' ' ALA . 53.4 t -55.65 -48.34 77.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.041 -0.527 . . . . 51.41 110.892 -179.431 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -56.39 -31.2 63.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.092 0.473 . . . . 55.45 110.488 178.364 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -71.51 -31.71 65.32 Favored Glycine 0 CA--C 1.518 0.243 0 CA-C-N 115.424 -0.807 . . . . 65.01 112.448 -178.344 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.403 ' HG3' HD22 ' A' ' 69' ' ' ASN . 12.4 pt20 -96.2 -12.89 23.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.424 0.631 . . . . 73.33 109.365 179.705 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.427 ' HB3' ' HG2' ' A' ' 71' ' ' GLN . 0.9 OUTLIER -90.47 -5.2 56.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.143 -0.935 . . . . 73.35 110.274 175.88 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 58.33 26.55 14.15 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 115.724 -0.671 . . . . 70.5 110.904 178.155 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.563 HE22 HD21 ' A' ' 73' ' ' LEU . 2.3 pt20 -117.38 161.36 19.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.772 -0.649 . . . . 65.11 109.978 179.296 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 3.4 p -115.83 139.28 50.34 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.909 0.385 . . . . 71.13 110.982 -179.661 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.563 HD21 HE22 ' A' ' 71' ' ' GLN . 94.0 mt -109.4 137.86 20.38 Favored Pre-proline 0 C--N 1.326 -0.415 0 CA-C-N 115.957 -0.565 . . . . 63.13 109.575 178.152 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.646 ' HB2' ' HG2' ' A' ' 104' ' ' PRO . 32.2 Cg_exo -59.78 138.81 85.19 Favored 'Trans proline' 0 C--N 1.349 0.569 0 C-N-CA 122.722 2.281 . . . . 75.32 112.44 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -77.16 2.18 16.12 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.205 0.446 . . . . 74.43 112.205 -176.685 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.431 ' HB3' ' HG3' ' A' ' 104' ' ' PRO . 27.8 t70 -95.06 1.51 55.07 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.371 0.605 . . . . 72.44 110.707 -178.844 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.403 HG22 ' O ' ' A' ' 74' ' ' PRO . 9.6 t -72.36 152.72 41.89 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.722 -0.672 . . . . 73.42 111.685 -175.431 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 29.5 m -154.2 150.67 28.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.792 -0.64 . . . . 65.01 110.049 -178.564 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 79.2 t -129.49 121.33 52.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 N-CA-C 110.008 -0.367 . . . . 73.54 110.008 177.273 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 21.0 m -102.74 111.07 23.22 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.096 -0.502 . . . . 61.0 110.316 179.207 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.494 ' HB2' ' HB3' ' A' ' 55' ' ' SER . . . -93.69 106.49 18.46 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.052 -0.522 . . . . 75.0 109.975 178.078 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.43 ' HA ' ' HA ' ' B' ' 8' ' ' ALA . 34.8 tt0 -110.15 108.59 18.8 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.491 -0.559 . . . . 74.0 109.491 -178.823 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.508 HG11 ' HB2' ' A' ' 51' ' ' ALA . 21.8 m -108.9 144.96 16.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.978 0.418 . . . . 74.25 111.049 -173.725 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.456 ' HA2' ' HA ' ' B' ' 6' ' ' LYS . . . -142.3 165.93 26.55 Favored Glycine 0 N--CA 1.446 -0.689 0 CA-C-N 115.722 -0.672 . . . . 64.22 111.868 -179.346 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -145.45 131.65 14.21 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 N-CA-C 109.773 -0.454 . . . . 71.32 109.773 -178.384 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . 0.411 ' HA2' ' HG ' ' B' ' 4' ' ' LEU . . . -148.47 169.9 29.02 Favored Glycine 0 N--CA 1.453 -0.193 0 CA-C-N 115.251 -0.886 . . . . 64.2 111.422 177.329 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.711 ' HD3' ' HG ' ' B' ' 4' ' ' LEU . 2.8 Cg_endo -79.29 123.01 5.37 Favored 'Trans proline' 0 N--CA 1.458 -0.577 0 C-N-CA 122.89 2.393 . . . . 75.13 111.75 -179.3 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . 0.493 ' HB2' ' HB2' ' A' ' 94' ' ' ALA . 47.7 t30 -70.95 149.24 46.89 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.126 -0.488 . . . . 63.43 110.092 177.26 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -62.05 -19.01 62.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.294 -0.412 . . . . 74.31 111.357 -177.19 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -67.19 -21.8 65.77 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.041 -0.527 . . . . 62.35 111.135 178.05 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.24 35.17 3.45 Favored Glycine 0 C--N 1.328 0.109 0 N-CA-C 111.49 -0.644 . . . . 52.42 111.49 -176.254 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -144.41 -154.66 6.2 Favored Glycine 0 N--CA 1.451 -0.343 0 N-CA-C 111.082 -0.807 . . . . 74.12 111.082 179.457 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 37.4 m-85 -100.38 166.25 11.05 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 117.097 0.448 . . . . 72.25 110.485 178.19 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.493 ' HB2' ' HB2' ' A' ' 88' ' ' ASN . . . -152.22 126.26 9.14 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.755 -0.657 . . . . 73.43 109.462 175.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -99.91 122.46 42.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.739 -0.664 . . . . 75.45 110.307 -178.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -110.09 112.02 23.75 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.344 -0.844 . . . . 62.1 109.686 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.436 ' HB ' HG22 ' A' ' 134' ' ' VAL . 60.1 t -111.46 110.83 33.63 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.795 0 CA-C-N 116.133 -0.485 . . . . 41.42 110.363 -178.769 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -101.15 109.28 21.13 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.594 -0.521 . . . . 51.52 109.594 179.767 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 74.8 mt -100.41 112.57 24.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.489 -0.323 . . . . 73.33 110.429 -177.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.545 ' HA ' ' O ' ' A' ' 137' ' ' VAL . 98.1 mtt180 -99.27 113.76 26.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.486 . . . . 73.43 109.992 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 44.1 t -107.36 97.8 6.13 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-N 116.304 -0.407 . . . . 72.23 110.316 -175.482 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -91.83 101.35 13.93 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.843 0.354 . . . . 73.1 110.1 179.722 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.766 HD23 HD22 ' A' ' 106' ' ' LEU . 25.8 tp -115.07 107.32 50.11 Favored Pre-proline 0 C--N 1.328 -0.364 0 N-CA-C 108.567 -0.901 . . . . 73.31 108.567 177.304 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . 0.646 ' HG2' ' HB2' ' A' ' 74' ' ' PRO . 55.7 Cg_endo -70.73 148.97 59.96 Favored 'Trans proline' 0 C--O 1.233 0.265 0 C-N-CA 122.881 2.387 . . . . 73.52 112.788 -171.667 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 77.57 4.19 84.34 Favored Glycine 0 CA--C 1.518 0.277 0 CA-C-N 115.463 -0.79 . . . . 54.45 112.245 -179.074 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.766 HD22 HD23 ' A' ' 103' ' ' LEU . 18.2 tp -113.96 141.34 47.52 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 122.784 0.434 . . . . 65.03 111.045 -175.81 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -78.29 143.38 37.04 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 115.808 -0.633 . . . . 72.42 110.62 176.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -58.88 -37.77 77.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.322 -0.399 . . . . 74.35 111.021 178.406 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -57.28 -47.68 80.84 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 115.958 -0.565 . . . . 64.13 111.32 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.544 ' O ' HG22 ' A' ' 113' ' ' THR . . . -75.94 -37.21 58.93 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-O 121.299 0.571 . . . . 73.25 110.172 179.243 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . 0.421 ' HA ' HD21 ' A' ' 106' ' ' LEU . . . -55.5 -39.62 70.68 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.439 -0.801 . . . . 54.13 110.717 179.768 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 57.0 mmtt -54.73 -42.25 71.35 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.99 -0.55 . . . . 74.23 111.35 177.379 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . 0.544 HG22 ' O ' ' A' ' 110' ' ' ALA . 0.8 OUTLIER -77.21 -34.89 56.01 Favored 'General case' 0 CA--C 1.529 0.17 0 CA-C-O 120.711 0.291 . . . . 74.22 110.527 -177.695 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 56.2 mt -65.77 -49.8 67.05 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-O 120.878 0.371 . . . . 61.01 110.52 179.751 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.456 HG21 HG12 ' A' ' 138' ' ' VAL . 57.4 t -65.46 -33.12 61.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.142 -0.481 . . . . 72.22 110.352 178.481 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -60.68 -61.05 2.87 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.885 -0.598 . . . . 63.5 110.031 178.72 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 6.4 ptm180 -61.15 -39.12 88.89 Favored 'General case' 0 CA--C 1.527 0.092 0 CA-C-N 115.953 -0.567 . . . . 65.24 110.488 -177.708 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -60.22 -52.62 64.54 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-O 120.899 0.38 . . . . 63.41 111.1 179.556 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 82.8 t60 -73.03 -14.1 61.35 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-O 120.965 0.412 . . . . 74.13 110.406 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 19.7 t60 -84.63 -31.42 24.24 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 115.855 -0.611 . . . . 75.14 110.689 178.331 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 32.8 m -96.5 -4.97 9.98 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.385 0 CA-C-N 116.711 -0.222 . . . . 74.54 111.303 -179.645 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' CYS . . . . . 0.425 ' SG ' ' HE1' ' A' ' 54' ' ' TYR . 50.9 t -65.12 114.74 16.31 Favored Pre-proline 0 CA--C 1.533 0.325 0 CA-C-N 116.273 -0.421 . . . . 72.12 110.094 178.461 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_endo -85.95 24.13 0.78 Allowed 'Trans proline' 0 C--N 1.35 0.634 0 C-N-CA 123.101 2.534 . . . . 74.45 113.938 -171.621 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . 0.536 ' O ' ' HB2' ' A' ' 125' ' ' SER . 7.4 m-85 -69.08 -35.58 76.66 Favored 'General case' 0 N--CA 1.464 0.245 0 C-N-CA 120.932 -0.307 . . . . 65.44 110.278 175.135 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . 0.536 ' HB2' ' O ' ' A' ' 124' ' ' TYR . 22.6 t 166.37 148.96 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.15 0 O-C-N 124.129 0.893 . . . . 62.44 109.41 175.49 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' ASN . . . . . 0.571 ' O ' ' HG2' ' A' ' 129' ' ' ARG . 96.4 m-20 -63.83 -31.35 72.49 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 108.473 -0.936 . . . . 73.42 108.473 170.009 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . 0.459 ' O ' HG23 ' A' ' 132' ' ' VAL . . . -61.59 -3.1 0.92 Allowed 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.038 -0.983 . . . . 54.1 112.209 179.594 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . 0.454 HG22 ' O ' ' A' ' 125' ' ' SER . 4.3 t -87.39 -7.56 57.59 Favored 'General case' 0 CA--C 1.519 -0.237 0 N-CA-C 108.212 -1.032 . . . . 73.21 108.212 -174.08 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . 0.571 ' HG2' ' O ' ' A' ' 126' ' ' ASN . 8.6 ptp85 -132.98 -46.66 0.85 Allowed 'General case' 0 N--CA 1.438 -1.044 0 CA-C-N 114.498 -1.228 . . . . 72.04 111.074 -177.511 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 6.5 m120 -78.97 -35.7 42.65 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-O 120.817 0.341 . . . . 71.52 111.751 -176.02 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -99.01 -38.18 9.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 72.12 110.79 -173.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . 0.459 HG23 ' O ' ' A' ' 127' ' ' ALA . 95.6 t -100.12 134.17 40.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.79 0.329 . . . . 70.22 110.34 -174.759 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -77.0 94.71 4.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.226 0.536 . . . . 45.42 110.446 -179.581 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . 0.436 HG22 ' HB ' ' A' ' 97' ' ' VAL . 52.8 t -111.74 109.61 29.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.623 -0.717 . . . . 75.02 110.35 178.191 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 17.2 mtm180 -83.66 111.57 19.25 Favored 'General case' 0 C--O 1.236 0.391 0 N-CA-C 109.529 -0.545 . . . . 72.41 109.529 178.413 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 70.3 mt -87.86 102.57 14.82 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-O 121.575 0.702 . . . . 50.04 111.318 -177.66 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . 0.545 ' O ' ' HA ' ' A' ' 100' ' ' ARG . 0.2 OUTLIER -105.97 115.33 47.44 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-N 114.803 -1.09 . . . . 74.42 109.705 179.168 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . 0.456 HG12 HG21 ' A' ' 115' ' ' VAL . 5.7 m -94.21 138.84 19.64 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 CA-C-N 115.798 -0.637 . . . . 53.11 109.874 -178.416 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.312 -1.056 0 CA-C-N 115.331 -0.85 . . . . 73.13 110.862 -175.057 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 27.8 ptm . . . . . 0 C--O 1.236 0.361 0 CA-C-O 120.974 0.416 . . . . 72.42 110.924 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 36.3 t30 -99.26 83.82 2.91 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.734 -0.666 . . . . 61.35 109.797 179.525 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . 0.522 HG21 ' HB2' ' B' ' 6' ' ' LYS . 25.8 mm -71.5 125.39 29.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-O 121.241 0.543 . . . . 72.42 111.516 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.711 ' HG ' ' HD3' ' A' ' 87' ' ' PRO . 87.1 mt -83.17 -45.43 13.92 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.317 -0.856 . . . . 75.25 109.534 174.43 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 5' ' ' TYR . . . . . . . . . . . . . 45.2 t80 -141.23 129.84 22.74 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.006 -0.543 . . . . 75.45 110.752 -179.351 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . 0.522 ' HB2' HG21 ' B' ' 3' ' ' ILE . 30.8 ttmt -138.04 136.94 37.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.283 -0.417 . . . . 65.01 110.349 175.611 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 10.3 t -133.63 162.39 32.05 Favored 'General case' 0 C--O 1.239 0.505 0 CA-C-N 115.798 -0.637 . . . . 72.52 109.922 178.451 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . 0.43 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . . . -124.19 148.44 47.26 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 121.454 0.645 . . . . 64.22 111.784 -173.617 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . 0.632 ' HA ' ' H ' ' B' ' 22' ' ' HIS . . . -133.89 136.0 44.03 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.565 -0.743 . . . . 31.45 109.689 175.79 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 31.9 m -117.68 108.54 15.54 Favored 'General case' 0 N--CA 1.443 -0.819 0 N-CA-C 109.118 -0.697 . . . . 64.31 109.118 -174.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 70.8 m -112.58 117.35 32.07 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 115.963 -0.562 . . . . 74.14 110.528 -176.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 2.9 m -98.92 156.5 16.86 Favored 'General case' 0 C--O 1.242 0.682 0 CA-C-N 115.904 -0.589 . . . . 53.42 111.349 -175.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -73.75 72.77 1.26 Allowed Glycine 0 N--CA 1.446 -0.691 0 CA-C-N 115.728 -0.669 . . . . 71.12 111.714 174.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -63.67 -175.68 3.63 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 121.308 -0.472 . . . . 73.4 112.345 176.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -49.77 -38.87 35.86 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 120.879 0.371 . . . . 65.14 110.449 -177.859 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -125.7 -43.32 1.87 Allowed 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 108.348 -0.982 . . . . 65.33 108.348 171.261 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -169.71 161.84 35.22 Favored Glycine 0 C--N 1.341 0.824 0 N-CA-C 111.034 -0.827 . . . . 74.22 111.034 160.033 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 18' ' ' ARG . . . . . 0.477 ' HD3' ' O ' ' B' ' 28' ' ' VAL . 15.2 tpp85 -137.75 130.2 29.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 117.391 0.595 . . . . 74.4 110.203 176.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 19' ' ' ALA . . . . . 0.465 ' HB2' ' HB2' ' A' ' 56' ' ' ALA . . . -127.63 129.96 48.14 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.21 0.529 . . . . 64.21 110.274 177.253 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 85.4 m -139.24 110.06 6.74 Favored 'General case' 0 C--N 1.317 -0.813 0 N-CA-C 109.575 -0.528 . . . . 75.11 109.575 176.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 21' ' ' SER . . . . . 0.498 ' HB3' ' N ' ' B' ' 26' ' ' LEU . 32.5 t -65.88 108.64 2.22 Favored 'General case' 0 C--O 1.248 1.002 0 N-CA-C 107.158 -1.423 . . . . 74.21 107.158 178.005 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 22' ' ' HIS . . . . . 0.632 ' H ' ' HA ' ' B' ' 9' ' ' ALA . 4.9 t-80 -48.44 -38.16 19.05 Favored 'General case' 0 N--CA 1.468 0.451 0 O-C-N 125.98 2.05 . . . . 73.12 113.202 -163.864 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -79.97 25.82 0.36 Allowed 'General case' 0 C--N 1.315 -0.924 0 CA-C-O 121.02 0.438 . . . . 63.54 110.903 -174.259 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . 0.407 ' H ' ' C ' ' B' ' 22' ' ' HIS . 31.6 mm-40 67.83 26.98 7.51 Favored 'General case' 0 C--N 1.342 0.264 0 CA-C-N 115.299 -0.864 . . . . 71.43 110.028 175.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.531 ' HE2' ' HA ' ' B' ' 25' ' ' LYS . 12.0 mmpt? -87.76 -32.15 19.26 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-N 115.069 -0.968 . . . . 41.25 110.409 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . 0.498 ' N ' ' HB3' ' B' ' 21' ' ' SER . 39.7 tp -152.68 149.55 28.53 Favored 'General case' 0 CA--C 1.509 -0.604 0 C-N-CA 120.549 -0.46 . . . . 71.52 111.164 -178.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -157.59 90.75 1.11 Allowed 'General case' 0 N--CA 1.448 -0.555 0 CA-C-O 121.388 0.613 . . . . 53.33 111.067 -178.037 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . 0.477 ' O ' ' HD3' ' B' ' 18' ' ' ARG . 3.1 m -146.4 157.99 11.25 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.363 0 CA-C-O 121.737 0.779 . . . . 74.12 112.15 178.239 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.461 ' HA ' ' HA ' ' B' ' 18' ' ' ARG . 15.0 tttp -95.5 139.06 32.31 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 114.641 -1.163 . . . . 64.31 108.888 169.224 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . 0.633 ' HB2' ' O ' ' B' ' 44' ' ' THR . 0.0 OUTLIER -122.44 172.19 8.52 Favored 'General case' 0 C--O 1.254 1.3 0 CA-C-O 120.941 0.4 . . . . 72.32 110.052 176.799 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . 0.452 ' OG ' ' HB3' ' B' ' 41' ' ' ALA . 11.8 m -154.01 135.51 14.26 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-N 115.618 -0.719 . . . . 62.35 111.371 -171.287 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 32' ' ' ALA . . . . . 0.716 ' O ' ' HD3' ' B' ' 34' ' ' ARG . . . -58.0 157.58 15.56 Favored Pre-proline 0 C--O 1.224 -0.279 0 N-CA-C 109.276 -0.639 . . . . 75.13 109.276 175.262 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 33' ' ' PRO . . . . . 0.411 ' O ' ' N ' ' B' ' 35' ' ' GLU . 49.0 Cg_exo -58.24 4.93 0.09 OUTLIER 'Trans proline' 0 CA--C 1.543 0.936 0 C-N-CA 123.087 2.524 . . . . 71.3 116.014 -170.174 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 34' ' ' ARG . . . . . 0.716 ' HD3' ' O ' ' B' ' 32' ' ' ALA . 1.3 mpp_? 60.74 -69.25 0.04 OUTLIER 'General case' 0 N--CA 1.475 0.825 0 CA-C-N 118.625 0.648 . . . . 71.43 112.384 -175.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . 0.411 ' N ' ' O ' ' B' ' 33' ' ' PRO . 11.6 mm-40 -36.73 -37.82 0.15 Allowed 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 124.009 0.924 . . . . 72.42 112.541 179.119 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.463 HD23 HD12 ' B' ' 85' ' ' ILE . 2.8 mp -101.34 -27.94 12.89 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.95 -0.568 . . . . 63.52 111.125 -173.152 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 154.39 56.5 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.659 -0.781 . . . . 51.22 113.097 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . 0.467 ' H ' ' HA ' ' B' ' 34' ' ' ARG . . . -104.8 -140.39 10.37 Favored Glycine 0 N--CA 1.438 -1.23 0 N-CA-C 110.022 -1.231 . . . . 64.12 110.022 170.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -134.5 -23.89 1.61 Allowed 'General case' 0 C--N 1.311 -1.078 0 N-CA-C 112.029 0.381 . . . . 71.25 112.029 -177.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 40' ' ' GLY . . . . . 0.508 ' HA2' ' HG2' ' B' ' 34' ' ' ARG . . . 113.04 101.12 2.49 Favored Glycine 0 CA--C 1.51 -0.273 0 C-N-CA 120.092 -1.051 . . . . 53.13 111.956 -176.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . 0.452 ' HB3' ' OG ' ' B' ' 31' ' ' SER . . . -173.26 171.23 4.1 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-O 120.833 0.349 . . . . 45.11 110.988 -179.006 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -103.81 20.09 18.73 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.884 -0.598 . . . . 74.14 110.135 -178.73 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -77.94 -168.16 31.52 Favored Glycine 0 N--CA 1.451 -0.311 0 CA-C-N 115.207 -0.906 . . . . 72.12 112.699 -179.191 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 44' ' ' THR . . . . . 0.633 ' O ' ' HB2' ' B' ' 30' ' ' LEU . 14.5 p -104.41 140.47 37.87 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 110.161 -0.311 . . . . 35.03 110.161 -177.294 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 45' ' ' ASN . . . . . 0.474 HD22 ' HB2' ' B' ' 48' ' ' GLN . 0.0 OUTLIER -92.13 152.99 43.15 Favored Pre-proline 0 C--N 1.324 -0.524 0 N-CA-C 109.886 -0.413 . . . . 71.14 109.886 178.741 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 46' ' ' PRO . . . . . 0.751 ' HB3' ' SG ' ' A' ' 57' ' ' CYS . 97.0 Cg_exo -45.62 -60.72 0.75 Allowed 'Trans proline' 0 C--N 1.352 0.731 0 C-N-CA 123.757 2.971 . . . . 54.41 114.252 -172.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 47' ' ' GLU . . . . . 0.451 ' HB2' HG21 ' B' ' 83' ' ' VAL . 0.0 OUTLIER -63.95 -31.34 72.49 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.163 -0.472 . . . . 73.03 110.683 -174.475 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . 0.474 ' HB2' HD22 ' B' ' 45' ' ' ASN . 30.1 tt0 -65.64 -46.6 78.58 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.629 -0.714 . . . . 65.22 110.482 179.018 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 49' ' ' LEU . . . . . 0.553 HD12 ' HA3' ' A' ' 53' ' ' GLY . 1.6 tm? -66.12 -44.59 83.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.565 -0.743 . . . . 73.15 109.513 -178.442 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 31.3 t80 -63.92 -42.26 97.44 Favored 'General case' 0 C--O 1.223 -0.303 0 CA-C-N 115.904 -0.589 . . . . 74.53 111.247 179.108 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.1 -51.28 70.27 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 120.842 0.353 . . . . 63.22 110.905 178.013 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -58.27 -50.54 73.21 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 115.996 -0.547 . . . . 74.31 110.909 178.745 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . 0.508 ' HA3' HD12 ' A' ' 49' ' ' LEU . . . -61.21 -45.61 96.16 Favored Glycine 0 N--CA 1.447 -0.574 0 CA-C-N 115.723 -0.671 . . . . 73.22 112.296 179.775 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 54' ' ' TYR . . . . . 0.474 ' OH ' HG21 ' B' ' 128' ' ' THR . 1.8 t80 -59.81 -47.43 85.75 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 122.464 0.306 . . . . 73.14 110.62 -178.687 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 55' ' ' SER . . . . . 0.648 ' HB3' ' HB2' ' B' ' 81' ' ' ALA . 23.1 p -62.57 -50.31 71.79 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-O 120.753 0.311 . . . . 71.55 110.464 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 56' ' ' ALA . . . . . 0.466 ' HB1' HD21 ' A' ' 30' ' ' LEU . . . -58.96 -39.86 82.96 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 116.098 -0.501 . . . . 72.32 111.182 179.057 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 57' ' ' CYS . . . . . 0.586 ' SG ' ' HB3' ' A' ' 46' ' ' PRO . 74.2 m -70.6 -36.48 73.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.938 -0.574 . . . . 72.4 110.099 178.778 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 59.8 t80 -64.7 -34.24 77.84 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.0 -0.545 . . . . 52.32 110.055 -177.567 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -56.52 -46.13 80.74 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.162 -0.681 . . . . 64.41 109.162 176.495 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 60' ' ' SER . . . . . 0.516 ' HA ' ' HE3' ' B' ' 63' ' ' LYS . 7.6 t -78.29 -33.42 49.48 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 115.923 -0.581 . . . . 73.23 110.63 -178.682 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -64.0 -50.75 67.28 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.287 -0.415 . . . . 44.1 110.365 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 62' ' ' MET . . . . . 0.713 ' HG3' HD11 ' B' ' 73' ' ' LEU . 16.5 tpt -66.26 -27.42 67.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.88 -0.6 . . . . 71.0 109.913 177.504 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . 0.516 ' HE3' ' HA ' ' B' ' 60' ' ' SER . 21.3 ttpp -65.85 -35.12 79.77 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 115.87 -0.605 . . . . 72.03 110.186 174.304 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 52.0 t80 -73.5 -40.21 64.25 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 121.002 0.429 . . . . 73.11 109.857 173.159 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 48.0 t -55.9 -43.92 76.23 Favored 'Isoleucine or valine' 0 C--O 1.232 0.154 0 CA-C-N 115.88 -0.6 . . . . 75.05 110.333 177.206 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 66' ' ' ALA . . . . . 0.404 ' HA ' ' HG3' ' B' ' 71' ' ' GLN . . . -55.77 -30.68 61.68 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.844 -0.617 . . . . 74.13 110.518 178.802 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -68.82 -36.64 82.61 Favored Glycine 0 N--CA 1.451 -0.339 0 CA-C-N 115.657 -0.701 . . . . 75.04 112.224 -179.015 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 68' ' ' GLN . . . . . 0.415 ' HG3' HD22 ' B' ' 69' ' ' ASN . 11.0 pt20 -92.25 -16.32 26.31 Favored 'General case' 0 CA--C 1.52 -0.176 0 CA-C-O 121.713 0.768 . . . . 64.5 109.303 -178.84 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 69' ' ' ASN . . . . . 0.415 HD22 ' HG3' ' B' ' 68' ' ' GLN . 0.9 OUTLIER -91.39 -3.16 57.0 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 114.916 -1.038 . . . . 65.21 110.552 178.219 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 61.35 30.19 18.92 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 115.905 -0.589 . . . . 73.12 111.488 176.473 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . 0.404 ' HG3' ' HA ' ' B' ' 66' ' ' ALA . 3.4 pt20 -122.81 169.46 11.08 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.792 -0.64 . . . . 74.24 110.234 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 36.8 p -123.5 143.36 50.22 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.254 -0.43 . . . . 74.12 110.155 177.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . 0.713 HD11 ' HG3' ' B' ' 62' ' ' MET . 96.3 mt -109.27 137.97 20.36 Favored Pre-proline 0 C--N 1.326 -0.431 0 CA-C-N 116.481 -0.327 . . . . 75.15 110.202 179.133 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 74' ' ' PRO . . . . . 0.669 ' HD2' HD11 ' B' ' 103' ' ' LEU . 27.5 Cg_exo -64.14 146.92 91.35 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.879 2.386 . . . . 62.01 112.573 178.651 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -73.55 -16.62 61.26 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.664 0.745 . . . . 71.53 111.202 178.372 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -89.66 15.24 9.9 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 114.813 -1.085 . . . . 60.22 111.302 -170.094 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 77' ' ' THR . . . . . 0.48 ' HB ' HD12 ' B' ' 103' ' ' LEU . 10.2 t -90.51 165.5 13.76 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-O 121.087 0.47 . . . . 73.25 112.139 -174.147 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 15.9 m -155.71 149.29 25.02 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 115.65 -0.705 . . . . 71.23 109.913 178.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 69.1 t -125.56 127.05 71.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 N-CA-C 109.383 -0.599 . . . . 54.24 109.383 174.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 5.9 m -108.06 108.24 19.25 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 120.915 0.388 . . . . 72.42 110.364 179.627 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 81' ' ' ALA . . . . . 0.648 ' HB2' ' HB3' ' B' ' 55' ' ' SER . . . -93.32 106.7 18.63 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.937 -0.574 . . . . 73.43 109.593 178.123 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 82' ' ' GLU . . . . . 0.471 ' HA ' ' HA ' ' A' ' 8' ' ' ALA . 30.4 tt0 -109.18 107.58 17.9 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 109.001 -0.741 . . . . 71.23 109.001 178.203 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . 0.632 HG23 HG22 ' B' ' 97' ' ' VAL . 9.4 p -103.45 142.72 16.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.921 -0.581 . . . . 71.44 110.654 -173.38 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 84' ' ' GLY . . . . . 0.434 ' HA2' ' HA ' ' A' ' 6' ' ' LYS . . . -137.26 166.8 24.9 Favored Glycine 0 N--CA 1.438 -1.23 0 N-CA-C 111.489 -0.644 . . . . 52.45 111.489 178.687 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 85' ' ' ILE . . . . . 0.463 HD12 HD23 ' B' ' 36' ' ' LEU . 0.0 OUTLIER -147.95 137.98 16.68 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.935 0 N-CA-C 109.338 -0.616 . . . . 73.1 109.338 -179.436 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 86' ' ' GLY . . . . . 0.455 ' HA2' ' HG ' ' A' ' 4' ' ' LEU . . . -151.0 169.84 30.74 Favored Glycine 0 CA--C 1.517 0.208 0 O-C-N 123.899 0.75 . . . . 52.3 111.376 -178.858 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 87' ' ' PRO . . . . . 0.666 ' HD3' ' HG ' ' A' ' 4' ' ' LEU . 1.1 Cg_endo -80.27 126.17 6.11 Favored 'Trans proline' 0 N--CA 1.457 -0.654 0 C-N-CA 122.642 2.228 . . . . 61.3 111.748 -176.535 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 88' ' ' ASN . . . . . 0.402 ' HB2' ' HB2' ' B' ' 94' ' ' ALA . 24.0 t-20 -83.29 144.98 29.35 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.186 -0.672 . . . . 72.3 109.186 173.833 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -62.03 -16.16 49.76 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.486 -0.325 . . . . 65.22 111.837 -175.596 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -67.76 -22.5 65.21 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-O 121.374 0.607 . . . . 74.05 110.775 177.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.49 35.49 3.31 Favored Glycine 0 N--CA 1.452 -0.273 0 CA-C-N 115.718 -0.673 . . . . 72.2 112.03 -177.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . -143.51 -171.09 13.57 Favored Glycine 0 N--CA 1.45 -0.392 0 N-CA-C 111.026 -0.83 . . . . 70.13 111.026 177.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 93' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -100.86 144.14 30.17 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 117.206 0.503 . . . . 73.12 110.49 177.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 94' ' ' ALA . . . . . 0.402 ' HB2' ' HB2' ' B' ' 88' ' ' ASN . . . -126.7 132.09 51.23 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.929 -0.578 . . . . 62.21 109.659 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 95' ' ' LEU . . . . . 0.409 HD13 ' HB ' ' B' ' 85' ' ' ILE . 4.1 mm? -96.81 132.82 42.15 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.165 -0.47 . . . . 74.21 110.692 -177.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 96' ' ' ASP . . . . . 0.519 ' HB2' ' SD ' ' A' ' 1' ' ' MET . 35.4 t70 -121.19 110.05 15.71 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.16 -0.927 . . . . 73.53 109.273 178.35 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 97' ' ' VAL . . . . . 0.692 ' HB ' HG22 ' B' ' 134' ' ' VAL . 45.3 t -108.65 110.53 32.39 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.962 0 C-N-CA 120.688 -0.405 . . . . 65.34 110.895 -176.613 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 98' ' ' GLU . . . . . 0.449 ' HG2' ' HD3' ' B' ' 135' ' ' ARG . 46.3 mt-10 -88.28 102.7 15.1 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.465 -0.568 . . . . 74.42 109.465 175.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 13.5 tp -97.75 106.76 19.11 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.329 -0.619 . . . . 61.12 109.329 -179.09 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 100' ' ' ARG . . . . . 0.625 ' HA ' ' O ' ' B' ' 137' ' ' VAL . 74.3 mtt180 -101.47 117.54 35.15 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.451 -0.795 . . . . 64.11 111.024 -173.205 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 101' ' ' VAL . . . . . . . . . . . . . 88.5 t -102.58 107.56 22.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.886 -0.597 . . . . 60.12 110.867 -176.422 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 102' ' ' ALA . . . . . 0.435 ' HA ' ' HB3' ' B' ' 139' ' ' ALA . . . -103.59 101.52 11.39 Favored 'General case' 0 C--O 1.236 0.343 0 N-CA-C 109.756 -0.461 . . . . 53.32 109.756 176.377 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 103' ' ' LEU . . . . . 0.811 HD23 HD22 ' B' ' 106' ' ' LEU . 27.3 tp -119.34 118.19 32.64 Favored Pre-proline 0 C--N 1.327 -0.39 0 N-CA-C 109.634 -0.506 . . . . 72.24 109.634 -177.664 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 104' ' ' PRO . . . . . 0.523 ' HD2' HD12 ' B' ' 103' ' ' LEU . 60.6 Cg_endo -72.07 151.53 55.81 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.597 2.198 . . . . 74.24 112.043 -177.525 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 105' ' ' GLY . . . . . . . . . . . . . . . 72.11 15.04 76.48 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.863 -0.684 . . . . 72.34 111.971 -178.308 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 106' ' ' LEU . . . . . 0.811 HD22 HD23 ' B' ' 103' ' ' LEU . 34.2 tp -129.92 139.1 51.19 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.081 0.467 . . . . 60.53 111.33 -176.58 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -86.75 147.04 26.02 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.484 -0.78 . . . . 63.12 110.587 175.127 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -59.64 -37.56 79.01 Favored 'General case' 0 C--O 1.237 0.428 0 CA-C-N 116.29 -0.414 . . . . 34.32 111.111 -179.539 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -55.95 -51.68 66.82 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 115.896 -0.593 . . . . 64.51 110.934 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 110' ' ' ALA . . . . . 0.579 ' O ' HG22 ' B' ' 113' ' ' THR . . . -71.46 -35.76 70.96 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 115.949 -0.569 . . . . 72.03 110.477 177.678 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 111' ' ' ALA . . . . . 0.423 ' O ' HG23 ' B' ' 115' ' ' VAL . . . -54.73 -40.05 68.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.977 -0.556 . . . . 64.14 110.664 -179.875 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 112' ' ' LYS . . . . . . . . . . . . . 62.1 mttp -55.32 -39.61 70.18 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.156 -0.475 . . . . 74.45 111.46 178.567 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 113' ' ' THR . . . . . 0.579 HG22 ' O ' ' B' ' 110' ' ' ALA . 1.0 OUTLIER -79.77 -34.04 40.12 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 110.285 -0.265 . . . . 72.03 110.285 -178.67 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 114' ' ' LEU . . . . . 0.481 ' HA ' ' HD3' ' B' ' 117' ' ' ARG . 40.5 mt -65.93 -40.27 91.27 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-O 120.99 0.424 . . . . 70.23 110.494 179.059 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 115' ' ' VAL . . . . . 0.654 HG21 HG12 ' B' ' 138' ' ' VAL . 95.4 t -68.62 -32.64 55.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.868 -0.606 . . . . 63.55 110.416 177.808 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -65.04 -59.78 3.76 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 116.112 -0.495 . . . . 75.43 110.41 177.515 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 117' ' ' ARG . . . . . 0.481 ' HD3' ' HA ' ' B' ' 114' ' ' LEU . 8.8 ptm180 -58.06 -38.8 77.01 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 115.893 -0.594 . . . . 70.2 110.507 -179.275 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -59.71 -45.74 91.2 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.827 -0.624 . . . . 61.11 110.388 174.779 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 119' ' ' HIS . . . . . 0.791 ' HA ' ' HB3' ' B' ' 125' ' ' SER . 49.8 m80 -80.94 13.81 2.52 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 116.009 -0.542 . . . . 74.31 111.686 177.111 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 45.4 t-80 -104.37 -38.72 6.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.812 0.339 . . . . 61.52 110.973 176.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 29.5 m -88.03 -42.4 14.94 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.479 0 N-CA-C 112.792 0.664 . . . . 63.42 112.792 -173.736 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 122' ' ' CYS . . . . . . . . . . . . . 58.5 m -82.44 134.95 47.33 Favored Pre-proline 0 CA--C 1.537 0.45 0 O-C-N 122.279 -0.263 . . . . 74.53 111.31 -174.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 123' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_exo -53.44 -58.05 1.63 Allowed 'Trans proline' 0 C--N 1.355 0.896 0 C-N-CA 123.257 2.638 . . . . 65.25 113.147 -179.22 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 124' ' ' TYR . . . . . 0.478 ' O ' ' HB ' ' B' ' 128' ' ' THR . 6.7 m-85 -64.74 -8.58 15.39 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-O 120.956 0.408 . . . . 65.35 110.898 -178.481 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 125' ' ' SER . . . . . 0.791 ' HB3' ' HA ' ' B' ' 119' ' ' HIS . 25.3 m -99.37 -39.45 8.38 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.345 -0.389 . . . . 64.23 111.211 -178.621 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 126' ' ' ASN . . . . . 0.419 ' HA ' ' O ' ' B' ' 119' ' ' HIS . 51.4 t-20 -71.98 -52.26 17.94 Favored 'General case' 0 C--O 1.238 0.459 0 CA-C-O 121.675 0.75 . . . . 74.24 110.064 178.877 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 127' ' ' ALA . . . . . 0.602 ' O ' ' HB3' ' B' ' 131' ' ' ASN . . . -75.16 6.57 4.16 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.053 -0.976 . . . . 65.3 112.33 -175.005 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 128' ' ' THR . . . . . 0.527 HG22 ' O ' ' B' ' 125' ' ' SER . 1.9 t -102.55 -20.52 14.44 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.21 -0.663 . . . . 55.14 109.21 -177.542 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 129' ' ' ARG . . . . . 0.447 ' HG3' ' N ' ' B' ' 130' ' ' ASN . 23.5 ptt180 -106.58 -47.93 3.65 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 115.758 -0.656 . . . . 75.21 109.981 -177.577 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 130' ' ' ASN . . . . . 0.447 ' N ' ' HG3' ' B' ' 129' ' ' ARG . 86.2 m-20 -78.87 -18.93 53.12 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.287 -0.87 . . . . 74.14 111.742 -177.515 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 131' ' ' ASN . . . . . 0.602 ' HB3' ' O ' ' B' ' 127' ' ' ALA . 13.7 t-20 -113.92 -38.49 4.2 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.15 -0.477 . . . . 75.43 110.812 -177.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 132' ' ' VAL . . . . . 0.51 HG12 ' H ' ' B' ' 133' ' ' ALA . 14.5 t -114.91 170.8 4.86 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.341 0 CA-C-N 115.929 -0.578 . . . . 52.13 109.74 -175.354 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 133' ' ' ALA . . . . . 0.51 ' H ' HG12 ' B' ' 132' ' ' VAL . . . -97.61 88.92 4.48 Favored 'General case' 0 C--O 1.243 0.717 0 CA-C-O 121.828 0.823 . . . . 72.23 111.613 -177.21 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 134' ' ' VAL . . . . . 0.692 HG22 ' HB ' ' B' ' 97' ' ' VAL . 77.7 t -117.56 114.51 45.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 114.979 -1.01 . . . . 61.1 110.871 177.818 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 135' ' ' ARG . . . . . 0.449 ' HD3' ' HG2' ' B' ' 98' ' ' GLU . 74.8 ttt180 -72.49 100.0 2.62 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.136 -0.938 . . . . 74.32 109.163 173.707 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 78.8 mt -76.65 107.24 8.8 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.15 -0.477 . . . . 72.41 109.922 176.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 137' ' ' VAL . . . . . 0.625 ' O ' ' HA ' ' B' ' 100' ' ' ARG . 0.2 OUTLIER -122.83 118.24 54.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.455 -0.793 . . . . 72.22 110.343 -174.713 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 138' ' ' VAL . . . . . 0.654 HG12 HG21 ' B' ' 115' ' ' VAL . 3.1 m -99.62 138.54 23.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 115.533 -0.758 . . . . 70.52 110.747 -176.398 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 139' ' ' ALA . . . . . 0.435 ' HB3' ' HA ' ' B' ' 102' ' ' ALA . . . . . . . . 0 C--O 1.253 1.288 0 CA-C-O 118.551 -0.738 . . . . 71.35 110.45 -177.087 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.511 ' HE3' HD13 ' A' ' 3' ' ' ILE . 20.1 ptt? . . . . . 0 N--CA 1.486 1.344 0 N-CA-C 110.547 -0.168 . . . . 71.43 110.547 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 45.6 t30 -71.73 77.65 0.85 Allowed 'General case' 0 C--O 1.234 0.244 0 CA-C-O 121.298 0.571 . . . . 75.52 110.384 175.566 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.618 HG21 ' HB2' ' A' ' 6' ' ' LYS . 26.6 mm -71.29 136.37 25.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 115.339 -0.846 . . . . 51.02 111.103 174.473 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.69 ' HG ' ' HD3' ' B' ' 87' ' ' PRO . 86.5 mt -84.08 -46.78 11.61 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.044 -0.526 . . . . 74.21 109.799 175.526 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 34.1 t80 -137.34 128.22 27.32 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 116.059 -0.519 . . . . 54.43 110.296 -178.553 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.618 ' HB2' HG21 ' A' ' 3' ' ' ILE . 29.4 ttmt -136.02 142.09 44.41 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.222 0.534 . . . . 62.42 111.075 179.289 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.441 HG21 ' HB2' ' B' ' 48' ' ' GLN . 9.5 t -142.79 139.72 31.08 Favored 'General case' 0 C--O 1.238 0.458 0 CA-C-N 115.639 -0.709 . . . . 73.02 109.524 -178.471 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.536 ' HA ' ' HA ' ' B' ' 82' ' ' GLU . . . -110.63 147.76 33.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.925 0.393 . . . . 64.34 111.554 -174.58 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.709 ' HA ' ' HA ' ' A' ' 21' ' ' SER . . . -143.84 121.16 11.59 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 115.89 -0.596 . . . . 65.14 110.375 177.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.494 ' HA ' ' HA ' ' B' ' 80' ' ' THR . 13.5 t -99.92 130.07 46.06 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 116.091 -0.504 . . . . 73.43 109.927 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 52.6 p -117.47 113.45 22.06 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.955 -0.566 . . . . 71.32 110.006 179.443 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.6 m -97.11 163.47 12.92 Favored 'General case' 0 C--O 1.239 0.518 0 CA-C-N 115.998 -0.546 . . . . 72.12 111.377 -175.376 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.513 ' HA2' HD21 ' B' ' 59' ' ' LEU . . . -78.79 74.02 2.2 Favored Glycine 0 N--CA 1.449 -0.488 0 CA-C-N 115.893 -0.594 . . . . 62.44 112.065 175.114 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -68.47 -147.0 0.16 Allowed Glycine 0 CA--C 1.524 0.622 0 C-N-CA 121.153 -0.546 . . . . 62.02 112.089 172.744 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 17.7 tpp180 -62.06 -52.08 65.37 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 117.085 0.442 . . . . 73.04 110.289 177.692 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.535 ' HB3' ' HA ' ' A' ' 31' ' ' SER . 10.1 t0 -124.8 -42.86 2.03 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 108.62 -0.881 . . . . 74.22 108.62 177.877 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -164.81 152.76 22.58 Favored Glycine 0 C--N 1.339 0.744 0 C-N-CA 120.389 -0.91 . . . . 73.12 112.485 163.202 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.458 ' HD3' ' HB2' ' A' ' 29' ' ' LYS . 22.8 tpp180 -116.52 149.94 38.75 Favored 'General case' 0 N--CA 1.465 0.313 0 N-CA-C 109.076 -0.713 . . . . 73.24 109.076 175.007 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -146.88 123.83 11.35 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 120.747 0.308 . . . . 71.12 110.367 177.149 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 86.5 m -145.84 110.56 5.14 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.451 -0.341 . . . . 63.53 110.531 -176.542 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.709 ' HA ' ' HA ' ' A' ' 9' ' ' ALA . 30.7 t -71.1 112.07 6.95 Favored 'General case' 0 C--O 1.246 0.892 0 N-CA-C 107.642 -1.244 . . . . 62.3 107.642 177.62 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 66.9 t60 -63.77 -9.9 16.98 Favored 'General case' 0 N--CA 1.469 0.49 0 O-C-N 125.779 1.924 . . . . 71.44 111.992 -165.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.479 ' HB2' ' HE3' ' A' ' 25' ' ' LYS . 38.2 m-20 -80.26 12.64 2.78 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.264 -0.643 . . . . 73.43 109.264 172.793 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 33.5 mm-40 67.56 14.5 9.59 Favored 'General case' 0 C--N 1.34 0.152 0 CA-C-N 115.352 -0.84 . . . . 72.53 110.634 178.502 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.479 ' HE3' ' HB2' ' A' ' 23' ' ' ASP . 17.7 ptpt -92.71 -12.32 31.73 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 116.104 -0.498 . . . . 73.44 111.17 -177.846 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.463 ' HB3' ' CB ' ' A' ' 21' ' ' SER . 58.0 tp -146.64 139.57 25.37 Favored 'General case' 0 CA--C 1.505 -0.759 0 C-N-CA 119.595 -0.842 . . . . 74.42 111.247 173.654 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -153.02 91.66 1.56 Allowed 'General case' 0 N--CA 1.445 -0.678 0 CA-C-N 114.968 -1.015 . . . . 74.13 110.23 -178.571 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 3.3 m -145.72 178.43 1.31 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.207 0 CA-C-O 121.683 0.754 . . . . 62.12 111.523 179.044 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.458 ' HB2' ' HD3' ' A' ' 18' ' ' ARG . 1.3 tmtt? -139.89 143.22 36.57 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 114.792 -1.095 . . . . 62.42 108.837 177.621 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.558 HD21 ' HB1' ' B' ' 56' ' ' ALA . 0.0 OUTLIER -126.26 175.43 7.81 Favored 'General case' 0 C--O 1.251 1.138 0 CA-C-O 121.35 0.595 . . . . 64.12 111.522 -175.038 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.535 ' HA ' ' HB3' ' A' ' 16' ' ' ASP . 35.9 t -151.74 126.32 9.5 Favored 'General case' 0 N--CA 1.446 -0.645 0 CA-C-N 114.765 -1.107 . . . . 75.34 111.033 -176.163 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.654 ' HA ' ' HD2' ' A' ' 46' ' ' PRO . . . -61.23 142.27 93.55 Favored Pre-proline 0 N--CA 1.449 -0.5 0 N-CA-C 109.181 -0.674 . . . . 52.21 109.181 170.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 30.7 Cg_endo -62.28 93.74 0.13 Allowed 'Trans proline' 0 N--CA 1.459 -0.552 0 C-N-CA 121.741 1.627 . . . . 73.33 110.22 -178.107 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.5 ' HG3' ' N ' ' A' ' 40' ' ' GLY . 2.3 tmt_? -69.77 77.3 0.45 Allowed 'General case' 0 N--CA 1.455 -0.184 0 CA-C-O 122.005 0.907 . . . . 50.12 110.474 -173.172 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -136.59 -35.45 0.73 Allowed 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 113.958 -1.473 . . . . 75.14 108.539 175.47 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.432 HD21 ' HB2' ' B' ' 4' ' ' LEU . 6.4 mp -106.46 -52.97 2.7 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 115.143 -0.935 . . . . 63.44 110.144 -176.562 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -169.1 61.88 0.19 Allowed Glycine 0 C--N 1.337 0.595 0 C-N-CA 120.476 -0.869 . . . . 72.22 113.609 177.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -110.26 -140.24 8.52 Favored Glycine 0 C--N 1.336 0.583 0 N-CA-C 111.324 -0.711 . . . . 73.44 111.324 173.391 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -133.45 -22.72 1.93 Allowed 'General case' 0 N--CA 1.472 0.628 0 N-CA-C 111.99 0.367 . . . . 63.22 111.99 -176.245 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.5 ' N ' ' HG3' ' A' ' 34' ' ' ARG . . . 95.26 100.47 1.79 Allowed Glycine 0 C--N 1.332 0.324 0 C-N-CA 121.317 -0.468 . . . . 45.53 113.276 178.225 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.472 ' HB3' ' HB2' ' A' ' 31' ' ' SER . . . -168.07 168.98 11.5 Favored 'General case' 0 C--O 1.234 0.269 0 C-N-CA 122.56 0.344 . . . . 44.21 110.108 174.745 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.403 ' O ' ' HG3' ' A' ' 42' ' ' GLU . 11.8 pt-20 -95.82 98.38 10.39 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.924 0.869 . . . . 71.23 109.171 172.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -156.82 -167.31 17.81 Favored Glycine 0 C--N 1.311 -0.852 0 CA-C-N 114.819 -1.082 . . . . 55.55 111.759 177.474 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.519 ' O ' ' HB2' ' A' ' 30' ' ' LEU . 20.6 p -91.27 146.64 23.65 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 110.126 -0.324 . . . . 74.01 110.126 -179.003 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 11.1 m120 -82.82 126.39 73.1 Favored Pre-proline 0 C--N 1.327 -0.398 0 N-CA-C 109.545 -0.539 . . . . 72.33 109.545 -177.641 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.654 ' HD2' ' HA ' ' A' ' 32' ' ' ALA . 9.6 Cg_endo -50.57 -44.4 40.28 Favored 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 123.209 2.606 . . . . 63.04 112.985 -176.884 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -60.57 -48.78 80.25 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-O 121.76 0.791 . . . . 62.13 109.187 179.174 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.551 ' OE1' HG23 ' B' ' 7' ' ' THR . 13.9 tp60 -68.05 -30.61 69.86 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 114.752 -1.113 . . . . 72.35 110.791 -179.258 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.556 HD12 ' HA3' ' B' ' 53' ' ' GLY . 2.5 tm? -66.48 -46.63 75.66 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.951 -0.759 . . . . 71.11 108.951 -178.439 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 18.4 t80 -60.96 -49.51 77.15 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.081 -0.509 . . . . 64.45 109.952 173.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.402 ' HB1' ' HB1' ' A' ' 81' ' ' ALA . . . -54.73 -41.97 71.01 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 115.987 -0.551 . . . . 52.03 111.077 178.875 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -71.33 -48.37 50.78 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 116.298 -0.41 . . . . 51.43 110.818 -178.251 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.546 ' HA3' HD12 ' B' ' 49' ' ' LEU . . . -60.71 -39.85 97.23 Favored Glycine 0 N--CA 1.451 -0.326 0 CA-C-N 115.896 -0.593 . . . . 45.35 111.996 179.715 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -72.03 -40.48 68.41 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 110.013 -0.366 . . . . 71.4 110.013 178.327 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 11.6 t -58.86 -40.05 83.16 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.138 0.494 . . . . 50.31 109.701 178.388 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.524 ' HB1' HD21 ' B' ' 30' ' ' LEU . . . -75.41 -41.2 56.63 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 115.762 -0.654 . . . . 72.41 110.664 177.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 40.1 t -58.64 -36.44 74.12 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.965 -0.561 . . . . 74.4 110.077 177.431 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 23.2 t80 -59.86 -36.69 77.39 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.839 -0.618 . . . . 64.12 110.204 -178.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 95.2 mt -64.03 -45.25 89.72 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.818 -0.628 . . . . 74.12 109.982 176.299 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.468 ' O ' ' HB3' ' A' ' 63' ' ' LYS . 9.2 t -67.33 -33.53 75.45 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-N 115.872 -0.604 . . . . 74.4 110.298 -179.703 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.423 ' O ' HG23 ' A' ' 65' ' ' VAL . . . -65.44 -51.06 62.87 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.115 -0.493 . . . . 64.15 109.99 177.036 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.9 -32.17 73.39 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.254 -0.43 . . . . 61.32 110.619 177.108 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.468 ' HB3' ' O ' ' A' ' 60' ' ' SER . 40.2 tttp -58.36 -51.99 67.48 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.799 -0.637 . . . . 62.32 109.996 174.74 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 54.7 t80 -69.83 -42.92 72.99 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 115.73 -0.668 . . . . 70.35 110.921 -177.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.423 HG23 ' O ' ' A' ' 61' ' ' ALA . 54.6 t -56.97 -52.08 60.36 Favored 'Isoleucine or valine' 0 C--O 1.233 0.196 0 CA-C-O 120.781 0.324 . . . . 51.41 110.194 178.881 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -57.95 -34.97 70.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.283 0.563 . . . . 55.45 109.639 177.338 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -68.47 -31.06 73.41 Favored Glycine 0 N--CA 1.451 -0.324 0 CA-C-N 114.907 -1.042 . . . . 65.01 112.251 -177.368 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -95.42 -15.23 23.15 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.192 -0.669 . . . . 73.33 109.192 -179.747 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -94.3 2.0 55.88 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 115.081 -0.963 . . . . 73.35 110.51 176.408 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.459 ' N ' ' HD3' ' A' ' 70' ' ' LYS . 19.6 mmtm 64.66 23.11 12.74 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.41 -0.814 . . . . 70.5 110.863 171.682 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -117.75 165.89 13.09 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.239 -0.892 . . . . 65.11 109.511 178.687 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 15.6 p -126.72 141.41 51.85 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 116.434 -0.348 . . . . 71.13 110.291 176.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.508 HD22 HD21 ' A' ' 103' ' ' LEU . 89.5 mt -107.85 144.07 28.59 Favored Pre-proline 0 C--N 1.324 -0.526 0 CA-C-N 115.953 -0.567 . . . . 63.13 109.542 179.558 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.417 ' O ' HG22 ' A' ' 77' ' ' THR . 52.8 Cg_exo -56.5 134.31 63.55 Favored 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 122.738 2.292 . . . . 75.32 112.214 -179.35 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -76.98 -1.47 28.93 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-O 121.322 0.582 . . . . 74.43 110.936 179.384 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -85.55 2.61 44.18 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.458 -0.792 . . . . 72.44 110.689 179.16 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.494 ' HB ' HD12 ' A' ' 103' ' ' LEU . 10.3 t -77.52 160.68 28.46 Favored 'General case' 0 C--O 1.238 0.48 0 CA-C-N 115.574 -0.739 . . . . 73.42 111.919 -175.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 32.3 m -154.93 149.42 26.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.71 -0.677 . . . . 65.01 110.13 179.291 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 97.5 t -127.33 140.24 49.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 N-CA-C 108.687 -0.857 . . . . 73.54 108.687 176.526 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 60.6 m -128.6 114.65 16.96 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.784 0.325 . . . . 61.0 110.829 -178.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.402 ' HB1' ' HB1' ' A' ' 51' ' ' ALA . . . -94.57 104.59 16.54 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.038 -0.528 . . . . 75.0 110.048 177.003 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.523 ' HB3' ' HB3' ' A' ' 98' ' ' GLU . 42.3 tt0 -101.31 107.75 19.2 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.674 -0.693 . . . . 74.0 109.426 179.272 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.546 HG23 HG22 ' A' ' 97' ' ' VAL . 8.0 p -107.98 139.77 28.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 121.076 0.465 . . . . 74.25 111.465 -171.623 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -134.73 157.32 22.92 Favored Glycine 0 N--CA 1.446 -0.689 0 N-CA-C 111.338 -0.705 . . . . 64.22 111.338 176.01 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.409 HD11 ' CD2' ' A' ' 93' ' ' PHE . 0.0 OUTLIER -136.22 132.66 49.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 N-CA-C 109.505 -0.554 . . . . 71.32 109.505 -179.522 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . 0.528 ' HA2' ' HG ' ' B' ' 4' ' ' LEU . . . -145.77 170.0 27.11 Favored Glycine 0 C--N 1.333 0.405 0 O-C-N 123.926 0.766 . . . . 64.2 111.309 -176.175 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.634 ' HD3' ' HG ' ' B' ' 4' ' ' LEU . 1.1 Cg_endo -79.86 128.9 7.81 Favored 'Trans proline' 0 N--CA 1.46 -0.45 0 C-N-CA 122.824 2.349 . . . . 75.13 111.999 -177.327 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . 0.495 ' HB2' ' HB2' ' A' ' 94' ' ' ALA . 51.5 t30 -79.52 147.94 32.0 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 109.551 -0.536 . . . . 63.43 109.551 174.662 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -62.8 -9.55 9.85 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.066 0.46 . . . . 74.31 111.775 -177.531 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -75.84 -21.1 57.59 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.961 -0.563 . . . . 62.35 111.267 177.284 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.2 23.09 8.27 Favored Glycine 0 CA--C 1.516 0.135 0 N-CA-C 111.601 -0.6 . . . . 52.42 111.601 -176.169 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -131.51 -159.0 9.32 Favored Glycine 0 N--CA 1.451 -0.338 0 N-CA-C 111.02 -0.832 . . . . 74.12 111.02 178.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.409 ' CD2' HD11 ' A' ' 85' ' ' ILE . 59.3 m-85 -104.75 155.47 18.86 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 117.068 0.434 . . . . 72.25 110.7 179.254 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.495 ' HB2' ' HB2' ' A' ' 88' ' ' ASN . . . -142.46 141.59 32.19 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.499 -0.773 . . . . 73.43 109.495 179.831 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -102.32 146.87 27.41 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.069 0.462 . . . . 75.45 110.931 -178.333 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -134.9 110.33 9.07 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 108.205 -1.035 . . . . 62.1 108.205 176.085 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.835 ' HB ' HG22 ' A' ' 134' ' ' VAL . 45.5 t -112.14 110.64 32.94 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-O 121.057 0.456 . . . . 41.42 111.102 -177.133 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.523 ' HB3' ' HB3' ' A' ' 82' ' ' GLU . 32.3 tp10 -85.52 98.02 10.38 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 108.43 -0.952 . . . . 51.52 108.43 175.794 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 23.7 tp -96.63 107.04 19.41 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-O 121.07 0.462 . . . . 73.33 110.099 -176.797 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.514 ' HA ' ' O ' ' A' ' 137' ' ' VAL . 20.0 ttt85 -100.34 119.96 39.22 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.123 -0.944 . . . . 73.43 110.581 -172.664 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 46.8 t -111.16 102.18 13.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 N-CA-C 110.393 -0.225 . . . . 72.23 110.393 -176.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -98.9 101.63 13.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.799 0.333 . . . . 73.1 110.537 -179.197 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.888 HD23 HD22 ' A' ' 106' ' ' LEU . 36.1 tp -116.77 118.96 36.12 Favored Pre-proline 0 C--N 1.328 -0.346 0 N-CA-C 108.936 -0.765 . . . . 73.31 108.936 177.617 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . 0.568 ' HD2' HD12 ' A' ' 103' ' ' LEU . 66.0 Cg_endo -75.21 152.13 39.44 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.605 2.203 . . . . 73.52 112.473 -175.847 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 70.91 15.2 73.83 Favored Glycine 0 CA--C 1.521 0.432 0 CA-C-N 115.795 -0.639 . . . . 54.45 112.335 -179.063 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.888 HD22 HD23 ' A' ' 103' ' ' LEU . 31.8 tp -119.02 144.28 46.61 Favored 'General case' 0 C--O 1.236 0.377 0 C-N-CA 122.956 0.502 . . . . 65.03 111.165 -174.784 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . 0.438 ' HB3' ' H ' ' A' ' 110' ' ' ALA . 2.5 t70 -77.81 162.01 27.22 Favored 'General case' 0 CA--C 1.513 -0.47 0 CA-C-N 116.182 -0.463 . . . . 72.42 110.269 176.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.522 ' O ' ' HG2' ' A' ' 112' ' ' LYS . . . -65.94 -45.7 80.84 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 115.269 -0.878 . . . . 74.35 109.981 170.04 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -62.92 -49.54 74.39 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 115.658 -0.701 . . . . 64.13 110.715 -177.052 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.557 ' O ' HG22 ' A' ' 113' ' ' THR . . . -65.06 -41.87 94.73 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.654 -0.703 . . . . 73.25 109.724 179.461 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . 0.462 ' HA ' HD21 ' A' ' 106' ' ' LEU . . . -54.77 -45.99 74.33 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.842 -0.617 . . . . 54.13 111.008 176.465 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.522 ' HG2' ' O ' ' A' ' 108' ' ' ALA . 32.5 mmtp -51.99 -38.09 55.49 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 115.794 -0.639 . . . . 74.23 111.324 178.837 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . 0.557 HG22 ' O ' ' A' ' 110' ' ' ALA . 0.7 OUTLIER -82.07 -35.42 28.7 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 121.162 -0.215 . . . . 74.22 110.957 -177.787 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.501 ' HG ' ' O ' ' A' ' 110' ' ' ALA . 44.2 mt -63.16 -50.83 68.85 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 121.122 0.486 . . . . 61.01 109.979 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.541 HG21 HG12 ' A' ' 138' ' ' VAL . 58.6 t -61.97 -32.82 55.47 Favored 'Isoleucine or valine' 0 C--O 1.238 0.488 0 CA-C-N 115.518 -0.764 . . . . 72.22 110.353 179.013 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -65.99 -60.69 2.59 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 115.967 -0.56 . . . . 63.5 110.891 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . 0.513 ' HG2' ' O ' ' A' ' 113' ' ' THR . 12.6 ptm180 -60.04 -38.35 82.47 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 116.395 -0.366 . . . . 65.24 110.129 -177.17 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -57.05 -49.99 74.14 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.874 -0.603 . . . . 63.41 110.075 175.445 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . 0.723 ' HB3' ' HD2' ' A' ' 129' ' ' ARG . 46.5 m80 -74.95 4.38 6.66 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.127 -0.488 . . . . 74.13 111.961 177.713 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 23.1 t-80 -108.5 -32.83 7.25 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.817 -0.174 . . . . 75.14 111.329 179.431 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.42 HG22 ' O ' ' A' ' 117' ' ' ARG . 29.2 m -104.72 -19.68 6.24 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.535 0 N-CA-C 113.068 0.766 . . . . 74.54 113.068 -173.325 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' CYS . . . . . 0.527 ' HB2' ' HB2' ' A' ' 125' ' ' SER . 78.7 m -81.29 140.85 49.09 Favored Pre-proline 0 CA--C 1.54 0.578 0 O-C-N 122.319 -0.238 . . . . 72.12 111.33 -177.187 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 6.7 Cg_endo -46.87 -61.79 0.55 Allowed 'Trans proline' 0 C--N 1.358 1.049 0 C-N-CA 124.213 3.275 . . . . 74.45 114.028 -170.05 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -113.05 47.46 1.11 Allowed 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 121.716 0.77 . . . . 65.44 110.581 -179.814 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . 0.602 ' O ' HG22 ' A' ' 128' ' ' THR . 68.5 m -115.05 -28.52 6.97 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.192 -0.913 . . . . 62.44 110.327 173.59 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 31.6 p-10 -72.21 -32.52 66.84 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 108.969 -0.752 . . . . 73.42 108.969 173.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . 0.517 ' O ' ' HB3' ' A' ' 131' ' ' ASN . . . -63.35 -17.33 62.48 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.003 -0.999 . . . . 54.1 112.047 177.848 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . 0.602 HG22 ' O ' ' A' ' 125' ' ' SER . 1.0 OUTLIER -97.27 -11.84 23.65 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.268 -0.642 . . . . 73.21 109.268 -171.012 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . 0.723 ' HD2' ' HB3' ' A' ' 119' ' ' HIS . 15.4 ptm180 -114.06 -47.67 2.94 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.441 -0.8 . . . . 72.04 110.267 -176.663 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' ASN . . . . . 0.413 ' N ' ' HG3' ' A' ' 129' ' ' ARG . 83.6 m-20 -78.84 -26.03 44.1 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.55 -0.75 . . . . 71.52 111.505 -178.171 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . 0.517 ' HB3' ' O ' ' A' ' 127' ' ' ALA . 0.2 OUTLIER -115.31 -32.18 5.72 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 115.726 -0.67 . . . . 72.12 110.856 -173.136 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . 0.478 ' HB ' ' HA ' ' A' ' 128' ' ' THR . 65.5 t -116.85 154.43 18.49 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.392 0 CA-C-N 116.374 -0.375 . . . . 70.22 110.358 -175.861 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -87.26 95.21 9.9 Favored 'General case' 0 C--O 1.24 0.594 0 CA-C-O 121.733 0.778 . . . . 45.42 111.534 -178.54 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . 0.835 HG22 ' HB ' ' A' ' 97' ' ' VAL . 69.9 t -125.33 119.9 56.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.096 -0.957 . . . . 75.02 110.845 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 4.6 tpp180 -78.84 111.55 15.1 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.274 -0.639 . . . . 72.41 109.274 173.597 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 75.7 mt -83.52 101.44 11.43 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.522 0.677 . . . . 50.04 110.71 178.439 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . 0.514 ' O ' ' HA ' ' A' ' 100' ' ' ARG . 0.2 OUTLIER -110.29 114.58 47.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 114.816 -1.084 . . . . 74.42 110.081 -177.826 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . 0.541 HG12 HG21 ' A' ' 115' ' ' VAL . 3.2 m -93.69 138.83 19.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 115.607 -0.724 . . . . 53.11 109.852 -178.871 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.315 -0.902 0 CA-C-N 115.656 -0.702 . . . . 73.13 110.74 -176.16 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 19.4 ptt? . . . . . 0 C--O 1.236 0.361 0 CA-C-O 120.894 0.378 . . . . 72.42 110.859 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 44.0 t30 -75.64 72.23 2.58 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.418 0.628 . . . . 61.35 110.537 177.165 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . 0.538 HG21 ' HB2' ' B' ' 6' ' ' LYS . 31.9 mm -67.97 133.01 32.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.583 -0.735 . . . . 72.42 111.492 175.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.634 ' HG ' ' HD3' ' A' ' 87' ' ' PRO . 86.6 mt -87.57 -49.76 6.97 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.584 -0.735 . . . . 75.25 109.849 174.377 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 5' ' ' TYR . . . . . . . . . . . . . 16.9 t80 -132.11 131.09 42.01 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.875 -0.602 . . . . 75.45 109.699 -178.004 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . 0.538 ' HB2' HG21 ' B' ' 3' ' ' ILE . 38.0 ttmt -135.85 149.57 49.09 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.056 0.455 . . . . 65.01 110.95 176.535 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . 0.551 HG23 ' OE1' ' A' ' 48' ' ' GLN . 8.5 t -154.57 168.07 27.99 Favored 'General case' 0 CA--C 1.536 0.424 0 N-CA-C 108.636 -0.875 . . . . 72.52 108.636 178.352 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . 0.433 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . . . -136.24 150.84 49.15 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-O 121.14 0.495 . . . . 64.22 111.828 -174.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . 0.572 ' HA ' ' H ' ' B' ' 22' ' ' HIS . . . -136.44 125.21 23.94 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.986 -0.552 . . . . 31.45 110.483 175.453 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 61.3 m -105.85 116.26 31.64 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.543 -0.753 . . . . 64.31 110.221 -178.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 74.0 p -104.42 113.38 26.9 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 110.109 -0.33 . . . . 74.14 110.109 175.37 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 8.1 m -98.51 160.52 14.22 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.414 -0.357 . . . . 53.42 110.557 179.787 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -77.95 75.93 1.82 Allowed Glycine 0 N--CA 1.443 -0.835 0 C-N-CA 120.883 -0.675 . . . . 71.12 111.587 173.571 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -61.13 -107.53 0.01 OUTLIER Glycine 0 C--N 1.334 0.436 0 C-N-CA 121.355 -0.45 . . . . 73.4 112.122 174.075 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . 0.44 ' HA ' ' HD2' ' B' ' 15' ' ' ARG . 14.2 tpt180 -86.16 -54.53 4.41 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 117.332 0.566 . . . . 65.14 109.568 174.194 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -125.55 -42.86 1.92 Allowed 'General case' 0 N--CA 1.463 0.216 0 N-CA-C 109.231 -0.655 . . . . 65.33 109.231 171.646 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -153.61 146.47 14.82 Favored Glycine 0 C--N 1.336 0.566 0 N-CA-C 111.01 -0.836 . . . . 74.22 111.01 165.347 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 18' ' ' ARG . . . . . 0.463 ' HA ' ' HA ' ' B' ' 29' ' ' LYS . 0.9 OUTLIER -136.32 105.08 5.84 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 108.999 -0.741 . . . . 74.4 108.999 179.513 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -98.52 123.96 42.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.3 -0.409 . . . . 64.21 110.23 -174.427 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 22.6 m -130.27 114.58 15.82 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.242 -0.435 . . . . 75.11 111.015 -177.163 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 21' ' ' SER . . . . . 0.526 ' HB3' ' N ' ' B' ' 26' ' ' LEU . 34.7 t -66.48 108.04 2.26 Favored 'General case' 0 C--O 1.244 0.813 0 N-CA-C 106.781 -1.563 . . . . 74.21 106.781 174.181 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 22' ' ' HIS . . . . . 0.572 ' H ' ' HA ' ' B' ' 9' ' ' ALA . 51.1 t-80 -55.61 -21.31 17.04 Favored 'General case' 0 N--CA 1.467 0.393 0 O-C-N 125.679 1.862 . . . . 73.12 112.983 -162.419 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . 0.519 ' HB2' ' HE2' ' B' ' 25' ' ' LYS . 1.7 m-20 -80.28 19.48 0.75 Allowed 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 110.058 -0.349 . . . . 63.54 110.058 178.527 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 30.4 mm-40 62.75 23.15 13.8 Favored 'General case' 0 C--O 1.231 0.122 0 CA-C-N 115.977 -0.556 . . . . 71.43 109.884 -178.112 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.519 ' HE2' ' HB2' ' B' ' 23' ' ' ASP . 51.9 mtmt -86.93 -25.71 24.24 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 115.498 -0.774 . . . . 41.25 110.756 -179.603 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . 0.526 ' N ' ' HB3' ' B' ' 21' ' ' SER . 48.0 tp -149.33 147.76 28.71 Favored 'General case' 0 CA--C 1.508 -0.647 0 C-N-CA 120.66 -0.416 . . . . 71.52 110.976 177.766 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 13.1 p-10 -158.85 90.85 1.01 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.5 -0.773 . . . . 53.33 110.302 -177.566 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 8.1 m -141.17 176.32 4.73 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.466 0 CA-C-O 121.573 0.701 . . . . 74.12 112.19 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.463 ' HA ' ' HA ' ' B' ' 18' ' ' ARG . 4.0 ttpm? -125.82 142.98 51.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 114.671 -1.15 . . . . 64.31 110.689 -177.474 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . 0.812 ' HA ' ' H ' ' B' ' 44' ' ' THR . 0.0 OUTLIER -130.66 166.76 20.01 Favored 'General case' 0 C--O 1.248 1.0 0 CA-C-N 116.057 -0.519 . . . . 72.32 110.134 174.183 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . 0.514 ' OG ' ' HB3' ' B' ' 41' ' ' ALA . 34.1 m -150.73 149.6 30.0 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 115.801 -0.636 . . . . 62.35 111.204 -178.637 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -75.74 140.63 71.31 Favored Pre-proline 0 C--O 1.239 0.551 0 CA-C-N 115.784 -0.644 . . . . 75.13 110.868 177.503 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 33' ' ' PRO . . . . . 0.511 ' HG3' HD22 ' B' ' 45' ' ' ASN . 43.9 Cg_exo -56.03 117.59 4.25 Favored 'Trans proline' 0 C--N 1.352 0.726 0 C-N-CA 122.897 2.398 . . . . 71.3 111.584 179.707 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 34' ' ' ARG . . . . . 0.487 ' HA ' ' H ' ' B' ' 38' ' ' GLY . 62.9 ttt180 -71.33 -16.36 62.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.348 0.594 . . . . 71.43 110.751 -175.376 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . 0.446 ' CD ' ' H ' ' B' ' 35' ' ' GLU . 5.9 mp0 -57.72 -27.37 62.91 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 114.827 -1.079 . . . . 72.42 110.124 178.16 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 4.8 mp -111.95 19.23 18.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.217 -0.901 . . . . 63.52 110.056 -173.104 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 83.34 65.1 1.6 Allowed Glycine 0 C--N 1.332 0.33 0 N-CA-C 111.505 -0.638 . . . . 51.22 111.505 -176.455 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . 0.487 ' H ' ' HA ' ' B' ' 34' ' ' ARG . . . -120.26 -131.46 4.13 Favored Glycine 0 C--N 1.329 0.194 0 C-N-CA 121.133 -0.556 . . . . 64.12 112.507 -174.477 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -120.61 -35.04 3.46 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 120.851 0.358 . . . . 71.25 110.798 179.384 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 40' ' ' GLY . . . . . 0.422 ' CA ' ' HB2' ' B' ' 34' ' ' ARG . . . 70.15 29.14 70.7 Favored Glycine 0 C--N 1.333 0.38 0 C-N-CA 121.055 -0.593 . . . . 53.13 113.183 178.357 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . 0.514 ' HB3' ' OG ' ' B' ' 31' ' ' SER . . . -82.1 157.35 24.12 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.801 -0.444 . . . . 45.11 109.801 176.506 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -74.27 74.16 1.82 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.705 0.764 . . . . 74.14 110.513 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -133.0 -160.03 9.36 Favored Glycine 0 N--CA 1.453 -0.212 0 CA-C-N 114.994 -1.003 . . . . 72.12 111.565 178.105 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 44' ' ' THR . . . . . 0.812 ' H ' ' HA ' ' B' ' 30' ' ' LEU . 51.9 p -113.47 164.87 13.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.788 0.294 . . . . 35.03 110.81 -178.816 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 45' ' ' ASN . . . . . 0.511 HD22 ' HG3' ' B' ' 33' ' ' PRO . 12.2 m120 -85.9 127.06 63.8 Favored Pre-proline 0 C--N 1.329 -0.298 0 N-CA-C 109.708 -0.479 . . . . 71.14 109.708 178.613 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 46' ' ' PRO . . . . . . . . . . . . . 14.6 Cg_endo -56.36 -50.76 11.0 Favored 'Trans proline' 0 C--N 1.35 0.637 0 C-N-CA 122.814 2.343 . . . . 54.41 112.26 -178.346 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -55.69 -37.07 67.85 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-O 121.256 0.551 . . . . 73.03 110.428 179.461 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . 0.447 ' OE1' ' HB2' ' A' ' 21' ' ' SER . 0.9 OUTLIER -65.45 -42.42 92.37 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.672 -0.694 . . . . 65.22 110.12 177.952 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 49' ' ' LEU . . . . . 0.546 HD12 ' HA3' ' A' ' 53' ' ' GLY . 2.3 tm? -61.86 -43.46 98.79 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.692 -0.685 . . . . 73.15 109.372 -178.123 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 25.3 t80 -62.51 -45.98 90.53 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 115.866 -0.606 . . . . 74.53 110.487 175.645 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . 0.539 ' HB2' HG11 ' B' ' 83' ' ' VAL . . . -56.51 -53.21 60.2 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.216 -0.447 . . . . 63.22 111.606 179.473 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -61.06 -40.34 93.28 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 116.05 -0.523 . . . . 74.31 110.367 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . 0.556 ' HA3' HD12 ' A' ' 49' ' ' LEU . . . -62.29 -48.04 85.35 Favored Glycine 0 N--CA 1.448 -0.531 0 CA-C-N 115.642 -0.708 . . . . 73.22 112.429 177.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -63.54 -44.14 95.05 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 110.283 -0.265 . . . . 73.14 110.283 -178.285 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 55' ' ' SER . . . . . 0.504 ' OG ' ' HB2' ' B' ' 81' ' ' ALA . 30.5 m -63.9 -51.97 62.07 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.777 0.323 . . . . 71.55 110.774 -179.041 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 56' ' ' ALA . . . . . 0.558 ' HB1' HD21 ' A' ' 30' ' ' LEU . . . -62.48 -35.41 79.26 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.168 -0.469 . . . . 72.32 110.556 179.023 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 57' ' ' CYS . . . . . 0.564 ' SG ' ' HB2' ' A' ' 46' ' ' PRO . 45.7 t -68.91 -37.08 78.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.848 -0.615 . . . . 72.4 110.273 177.74 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 30.6 t80 -67.92 -25.98 65.74 Favored 'General case' 0 N--CA 1.452 -0.36 0 N-CA-C 109.5 -0.556 . . . . 52.32 109.5 -176.233 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . 0.513 HD21 ' HA2' ' A' ' 13' ' ' GLY . 66.1 tp -62.21 -52.79 62.36 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 115.684 -0.689 . . . . 64.41 109.944 174.004 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 60' ' ' SER . . . . . 0.437 ' O ' ' HB3' ' B' ' 63' ' ' LYS . 19.1 t -66.94 -37.51 84.43 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 115.916 -0.584 . . . . 73.23 110.519 -179.249 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -62.45 -46.91 86.38 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.969 0.414 . . . . 44.1 110.192 176.701 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 62' ' ' MET . . . . . . . . . . . . . 3.1 tpt -64.02 -33.79 76.54 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.738 -0.665 . . . . 71.0 109.786 178.456 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . 0.437 ' HB3' ' O ' ' B' ' 60' ' ' SER . 46.7 tptt -60.19 -51.99 67.22 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 115.413 -0.812 . . . . 72.03 110.205 176.66 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 81.6 t80 -64.35 -45.01 89.65 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 115.582 -0.735 . . . . 73.11 110.772 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 55.4 t -57.5 -41.86 79.73 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-N 116.311 -0.404 . . . . 75.05 110.629 178.419 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 66' ' ' ALA . . . . . 0.418 ' HA ' ' HB2' ' B' ' 69' ' ' ASN . . . -53.8 -31.17 48.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.119 -0.492 . . . . 74.13 110.693 176.518 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -67.23 -39.51 92.27 Favored Glycine 0 C--N 1.331 0.296 0 CA-C-N 115.824 -0.625 . . . . 75.04 111.989 -179.5 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -90.44 -9.9 45.78 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.633 0.73 . . . . 64.5 109.38 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 69' ' ' ASN . . . . . 0.546 ' HB3' ' HG2' ' B' ' 71' ' ' GLN . 0.9 OUTLIER -92.23 -1.17 57.28 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 114.85 -1.068 . . . . 65.21 110.37 174.315 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 1.8 mptp? 61.19 24.44 14.54 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 115.944 -0.571 . . . . 73.12 111.365 174.691 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . 0.546 ' HG2' ' HB3' ' B' ' 69' ' ' ASN . 3.1 pt20 -124.61 161.24 26.66 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.003 -0.544 . . . . 74.24 110.669 -176.538 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 14.9 p -119.9 132.72 55.63 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.938 -0.574 . . . . 74.12 109.929 175.596 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -109.24 147.2 35.49 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.308 -0.405 . . . . 75.15 110.66 -179.051 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 74' ' ' PRO . . . . . 0.655 ' HD2' HD11 ' B' ' 103' ' ' LEU . 31.2 Cg_exo -59.99 137.06 73.56 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.699 2.266 . . . . 62.01 112.447 178.84 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -76.9 -24.66 52.5 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.758 0.79 . . . . 71.53 110.882 178.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 37.1 m-20 -80.74 21.9 0.63 Allowed 'General case' 0 C--N 1.313 -0.988 0 CA-C-N 114.599 -1.182 . . . . 60.22 111.488 -171.74 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 77' ' ' THR . . . . . 0.524 ' HB ' HD12 ' B' ' 103' ' ' LEU . 7.6 t -88.92 172.98 8.76 Favored 'General case' 0 C--O 1.237 0.421 0 C-N-CA 122.656 0.382 . . . . 73.25 111.791 -175.348 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 16.6 m -152.63 149.27 28.26 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-O 121.057 0.456 . . . . 71.23 110.964 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 72.9 t -131.42 121.05 47.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 N-CA-C 109.069 -0.715 . . . . 54.24 109.069 174.078 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 80' ' ' THR . . . . . 0.494 ' HA ' ' HA ' ' A' ' 10' ' ' THR . 23.7 m -107.18 109.22 20.98 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 116.439 -0.346 . . . . 72.42 110.851 -177.761 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 81' ' ' ALA . . . . . 0.504 ' HB2' ' OG ' ' B' ' 55' ' ' SER . . . -96.66 114.81 26.48 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.435 -0.348 . . . . 73.43 110.393 178.275 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 82' ' ' GLU . . . . . 0.536 ' HA ' ' HA ' ' A' ' 8' ' ' ALA . 41.8 tt0 -112.53 107.99 16.93 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.454 -0.572 . . . . 71.23 109.454 177.759 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . 0.562 HG12 HG22 ' B' ' 97' ' ' VAL . 27.3 m -104.17 146.59 11.4 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.258 0 CA-C-N 116.214 -0.448 . . . . 71.44 111.271 -174.754 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 84' ' ' GLY . . . . . 0.413 ' HA2' ' HA ' ' A' ' 6' ' ' LYS . . . -142.28 161.95 27.25 Favored Glycine 0 N--CA 1.442 -0.957 0 CA-C-N 115.858 -0.61 . . . . 52.45 111.607 178.824 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -132.7 130.79 59.51 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 N-CA-C 108.659 -0.867 . . . . 73.1 108.659 178.091 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 86' ' ' GLY . . . . . 0.466 ' HA2' ' HG ' ' A' ' 4' ' ' LEU . . . -150.5 169.71 30.4 Favored Glycine 0 N--CA 1.451 -0.322 0 CA-C-N 115.706 -0.679 . . . . 52.3 111.511 -178.414 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 87' ' ' PRO . . . . . 0.69 ' HD3' ' HG ' ' A' ' 4' ' ' LEU . 7.8 Cg_exo -71.89 125.38 10.95 Favored 'Trans proline' 0 C--N 1.344 0.3 0 C-N-CA 122.792 2.328 . . . . 61.3 111.77 -178.444 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 88' ' ' ASN . . . . . 0.424 ' HB2' ' HB2' ' B' ' 94' ' ' ALA . 51.9 t-20 -77.24 146.33 36.99 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.149 -0.686 . . . . 72.3 109.149 176.171 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -62.66 -13.55 33.23 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-O 121.202 0.525 . . . . 65.22 110.863 178.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -67.41 -22.61 65.53 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 115.329 -0.851 . . . . 74.05 111.254 175.492 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.1 23.41 8.14 Favored Glycine 0 C--O 1.235 0.21 0 N-CA-C 111.66 -0.576 . . . . 72.2 111.66 -176.12 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . -137.36 -144.33 4.73 Favored Glycine 0 N--CA 1.452 -0.253 0 N-CA-C 111.107 -0.797 . . . . 70.13 111.107 178.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 93' ' ' PHE . . . . . . . . . . . . . 63.2 m-85 -111.04 167.91 9.89 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 117.117 0.459 . . . . 73.12 110.533 178.156 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 94' ' ' ALA . . . . . 0.424 ' HB2' ' HB2' ' B' ' 88' ' ' ASN . . . -153.14 132.83 13.09 Favored 'General case' 0 C--O 1.239 0.534 0 CA-C-N 115.896 -0.593 . . . . 62.21 109.889 179.08 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -95.45 121.66 37.36 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.834 -0.621 . . . . 74.21 110.05 177.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 96' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -109.97 111.73 23.3 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.18 -0.918 . . . . 73.53 109.481 -178.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 97' ' ' VAL . . . . . 0.562 HG22 HG12 ' B' ' 83' ' ' VAL . 63.7 t -114.03 110.65 32.88 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.828 0 CA-C-N 115.979 -0.555 . . . . 65.34 110.65 -174.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 98' ' ' GLU . . . . . 0.462 ' HG2' ' HB3' ' B' ' 135' ' ' ARG . 43.6 mt-10 -95.47 106.99 19.12 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.726 -0.472 . . . . 74.42 109.726 178.135 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 84.4 mt -94.0 106.62 18.59 Favored 'General case' 0 C--O 1.235 0.299 0 N-CA-C 109.487 -0.561 . . . . 61.12 109.487 179.653 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 100' ' ' ARG . . . . . 0.547 ' HA ' ' O ' ' B' ' 137' ' ' VAL . 77.6 ttt180 -99.42 122.94 43.23 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.672 -0.695 . . . . 64.11 110.073 -175.047 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 101' ' ' VAL . . . . . . . . . . . . . 89.7 t -110.5 118.72 57.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.353 -0.385 . . . . 60.12 110.941 -173.684 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -120.72 101.49 7.76 Favored 'General case' 0 C--O 1.238 0.449 0 CA-C-N 116.152 -0.476 . . . . 53.32 109.86 175.753 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 103' ' ' LEU . . . . . 0.758 HD23 HD22 ' B' ' 106' ' ' LEU . 42.1 tp -113.99 117.58 43.68 Favored Pre-proline 0 C--N 1.328 -0.356 0 N-CA-C 109.096 -0.705 . . . . 72.24 109.096 179.004 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 104' ' ' PRO . . . . . 0.547 ' HD2' HD12 ' B' ' 103' ' ' LEU . 32.8 Cg_endo -62.26 145.5 96.07 Favored 'Trans proline' 0 C--O 1.237 0.45 0 C-N-CA 122.677 2.252 . . . . 74.24 111.793 -179.051 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 105' ' ' GLY . . . . . . . . . . . . . . . 68.78 15.12 68.56 Favored Glycine 0 CA--C 1.52 0.391 0 CA-C-N 115.617 -0.72 . . . . 72.34 112.458 -177.225 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 106' ' ' LEU . . . . . 0.758 HD22 HD23 ' B' ' 103' ' ' LEU . 50.2 tp -121.39 139.63 53.19 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 120.996 0.427 . . . . 60.53 110.955 -179.813 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -82.65 167.58 18.12 Favored 'General case' 0 CA--C 1.516 -0.355 0 CA-C-N 115.708 -0.678 . . . . 63.12 110.634 179.6 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -68.44 -45.48 72.42 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.055 -0.52 . . . . 34.32 109.829 168.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -59.67 -47.38 85.84 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.505 -0.77 . . . . 64.51 110.64 -178.042 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 110' ' ' ALA . . . . . 0.452 ' O ' HG22 ' B' ' 113' ' ' THR . . . -70.99 -42.92 69.02 Favored 'General case' 0 C--O 1.238 0.462 0 CA-C-N 116.128 -0.487 . . . . 72.03 110.29 179.349 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 111' ' ' ALA . . . . . 0.403 ' HA ' HD21 ' B' ' 106' ' ' LEU . . . -54.53 -37.82 65.85 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 115.856 -0.611 . . . . 64.14 111.324 178.226 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 112' ' ' LYS . . . . . . . . . . . . . 23.4 mmmt -51.08 -45.95 61.62 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 116.049 -0.523 . . . . 74.45 111.357 179.381 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 113' ' ' THR . . . . . 0.452 HG22 ' O ' ' B' ' 110' ' ' ALA . 1.6 t -82.16 -37.27 26.4 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.368 -0.378 . . . . 72.03 110.627 -177.026 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 33.9 mt -62.36 -45.96 90.83 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-O 120.752 0.311 . . . . 70.23 110.92 -178.218 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 115' ' ' VAL . . . . . 0.563 HG21 HG12 ' B' ' 138' ' ' VAL . 84.2 t -63.21 -37.55 79.75 Favored 'Isoleucine or valine' 0 C--O 1.243 0.724 0 CA-C-N 116.278 -0.419 . . . . 63.55 110.198 177.66 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 116' ' ' ASP . . . . . 0.612 ' O ' ' HB2' ' B' ' 120' ' ' HIS . 17.3 t70 -61.05 -61.51 2.52 Favored 'General case' 0 CA--C 1.52 -0.18 0 CA-C-N 115.836 -0.62 . . . . 75.43 109.883 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 117' ' ' ARG . . . . . 0.466 ' O ' HG22 ' B' ' 121' ' ' VAL . 16.0 ptm180 -57.38 -38.69 74.66 Favored 'General case' 0 N--CA 1.461 0.121 0 CA-C-N 116.296 -0.411 . . . . 70.2 110.61 -177.814 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -56.26 -56.11 25.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.842 -0.617 . . . . 61.11 110.986 178.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 79.0 m-70 -76.99 -14.05 59.89 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-O 120.675 0.274 . . . . 74.31 111.057 179.36 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 120' ' ' HIS . . . . . 0.612 ' HB2' ' O ' ' B' ' 116' ' ' ASP . 2.5 t-160 -77.57 -39.88 44.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.039 -0.528 . . . . 61.52 110.093 -177.457 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 121' ' ' VAL . . . . . 0.466 HG22 ' O ' ' B' ' 117' ' ' ARG . 32.4 m -95.21 -38.6 8.99 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.242 0 CA-C-N 116.135 -0.484 . . . . 63.42 111.455 -177.255 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 122' ' ' CYS . . . . . . . . . . . . . 77.0 m -126.99 82.5 67.94 Favored Pre-proline 0 CA--C 1.533 0.293 0 CA-C-O 120.89 0.376 . . . . 74.53 111.671 -177.075 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 123' ' ' PRO . . . . . . . . . . . . . 62.7 Cg_endo -96.11 158.56 1.37 Allowed 'Trans proline' 0 N--CA 1.454 -0.819 0 C-N-CA 122.951 2.434 . . . . 65.25 111.716 171.746 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 124' ' ' TYR . . . . . 0.527 ' HE2' ' SG ' ' B' ' 57' ' ' CYS . 0.1 OUTLIER -68.28 -20.57 64.79 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 121.669 0.747 . . . . 65.35 109.275 174.495 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 125' ' ' SER . . . . . 0.644 ' O ' HG22 ' B' ' 128' ' ' THR . 47.2 t 178.29 147.9 0.17 Allowed 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 114.26 -1.336 . . . . 64.23 107.646 179.699 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 126' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -61.15 -34.11 74.48 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 108.055 -1.091 . . . . 74.24 108.055 175.121 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 127' ' ' ALA . . . . . 0.618 ' O ' ' HB3' ' B' ' 131' ' ' ASN . . . -84.26 6.29 23.37 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 114.53 -1.214 . . . . 65.3 112.186 -178.121 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 128' ' ' THR . . . . . 0.644 HG22 ' O ' ' B' ' 125' ' ' SER . 1.7 t -96.68 -9.5 28.99 Favored 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 109.06 -0.719 . . . . 55.14 109.06 179.662 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 129' ' ' ARG . . . . . . . . . . . . . 23.6 ptt85 -126.16 -43.23 1.81 Allowed 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 115.072 -0.967 . . . . 75.21 110.833 -177.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 130' ' ' ASN . . . . . . . . . . . . . 14.9 m120 -77.06 -48.04 18.93 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 116.157 -0.474 . . . . 74.14 111.212 178.459 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 131' ' ' ASN . . . . . 0.618 ' HB3' ' O ' ' B' ' 127' ' ' ALA . 7.3 t30 -73.99 -43.84 56.72 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 116.132 -0.485 . . . . 75.43 110.907 -176.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 132' ' ' VAL . . . . . . . . . . . . . 56.1 t -88.27 134.36 28.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.89 -0.595 . . . . 52.13 109.671 178.235 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 133' ' ' ALA . . . . . . . . . . . . . . . -72.3 86.61 1.11 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.589 0.709 . . . . 72.23 110.417 -179.128 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 134' ' ' VAL . . . . . . . . . . . . . 46.6 t -100.43 119.68 48.87 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.758 0 CA-C-N 115.093 -0.958 . . . . 61.1 110.791 -179.524 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 135' ' ' ARG . . . . . 0.462 ' HB3' ' HG2' ' B' ' 98' ' ' GLU . 0.1 OUTLIER -88.8 108.32 19.44 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.561 -0.745 . . . . 74.32 109.424 175.386 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 54.3 mt -79.36 113.04 17.18 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.067 0.461 . . . . 72.41 110.11 175.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 137' ' ' VAL . . . . . 0.547 ' O ' ' HA ' ' B' ' 100' ' ' ARG . 0.2 OUTLIER -122.86 115.57 46.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.681 -0.691 . . . . 72.22 110.499 -177.614 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 138' ' ' VAL . . . . . 0.563 HG12 HG21 ' B' ' 115' ' ' VAL . 3.0 m -101.12 138.49 25.16 Favored 'Isoleucine or valine' 0 C--O 1.238 0.455 0 CA-C-N 115.786 -0.643 . . . . 70.52 109.865 -179.761 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 139' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.176 0 CA-C-O 118.594 -0.717 . . . . 71.35 110.817 -177.008 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.591 ' SD ' ' HB2' ' B' ' 96' ' ' ASP . 28.7 ptm . . . . . 0 N--CA 1.484 1.258 0 CA-C-O 120.935 0.398 . . . . 71.43 110.719 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 49.5 t30 -100.86 83.92 2.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.817 -0.628 . . . . 75.52 109.808 -179.125 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.528 HG21 ' HB2' ' A' ' 6' ' ' LYS . 29.6 mm -66.44 129.06 30.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.889 -0.596 . . . . 51.02 111.958 -178.495 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.748 ' HG ' ' HD3' ' B' ' 87' ' ' PRO . 88.3 mt -86.29 -43.44 12.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.58 -0.736 . . . . 74.21 109.742 174.201 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . 0.619 ' HE2' ' HG2' ' B' ' 35' ' ' GLU . 58.7 t80 -141.08 135.5 31.04 Favored 'General case' 0 CA--C 1.518 -0.273 0 CA-C-N 116.056 -0.52 . . . . 54.43 110.03 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.528 ' HB2' HG21 ' A' ' 3' ' ' ILE . 31.2 ttmt -145.49 139.62 26.95 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.933 0.397 . . . . 62.42 110.549 177.128 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 7.1 t -139.18 -180.0 6.19 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.454 -0.794 . . . . 73.02 109.092 177.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -151.5 148.44 28.04 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.886 0.374 . . . . 64.34 110.354 -178.003 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -137.92 131.96 31.69 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.115 -0.493 . . . . 65.14 109.988 -179.733 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 8.9 t -102.29 121.72 42.83 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.113 0.482 . . . . 73.43 109.817 -178.751 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 75.2 p -107.37 113.51 26.92 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.12 -0.491 . . . . 71.32 110.297 -179.02 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.3 m -85.76 151.95 23.43 Favored 'General case' 0 C--O 1.241 0.651 0 CA-C-N 116.235 -0.439 . . . . 72.12 110.627 -178.138 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -78.84 67.83 3.14 Favored Glycine 0 N--CA 1.444 -0.793 0 CA-C-N 115.825 -0.625 . . . . 62.44 111.812 177.118 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.89 -159.59 0.42 Allowed Glycine 0 C--N 1.336 0.568 0 C-N-CA 121.008 -0.615 . . . . 62.02 112.764 176.052 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.589 ' HA ' ' NE ' ' A' ' 15' ' ' ARG . 1.5 mmp_? -47.76 -49.42 28.5 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 116.64 0.22 . . . . 73.04 111.277 -179.367 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.571 ' HB3' ' HA ' ' A' ' 31' ' ' SER . 33.8 t70 -125.74 -42.78 1.9 Allowed 'General case' 0 CA--C 1.518 -0.269 0 N-CA-C 109.111 -0.7 . . . . 74.22 109.111 171.841 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -163.62 158.5 30.99 Favored Glycine 0 N--CA 1.446 -0.653 0 C-N-CA 120.271 -0.966 . . . . 73.12 112.192 167.325 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.466 ' HA ' ' HA ' ' A' ' 29' ' ' LYS . 24.8 ttt85 -133.92 152.99 52.06 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 108.862 -0.792 . . . . 73.24 108.862 172.846 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.412 ' HB2' ' HB2' ' B' ' 56' ' ' ALA . . . -146.19 124.29 12.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.767 0.318 . . . . 71.12 110.633 -176.818 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.439 HG23 ' HB2' ' A' ' 27' ' ' ASP . 25.5 m -133.71 114.17 13.14 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.971 -0.559 . . . . 63.53 110.248 -177.289 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.525 ' CB ' ' HB3' ' A' ' 26' ' ' LEU . 18.0 t -74.64 115.46 14.23 Favored 'General case' 0 C--O 1.249 1.055 0 N-CA-C 107.36 -1.348 . . . . 62.3 107.36 175.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 78.1 t60 -63.0 -19.6 64.51 Favored 'General case' 0 C--N 1.351 0.649 0 O-C-N 126.383 2.302 . . . . 71.44 113.021 -163.408 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.416 ' OD1' ' HE3' ' A' ' 25' ' ' LYS . 9.4 p30 -80.43 13.21 2.55 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.637 0.732 . . . . 73.43 109.253 174.229 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 30.2 mm-40 69.88 20.15 6.79 Favored 'General case' 0 CA--C 1.515 -0.367 0 CA-C-N 114.283 -1.326 . . . . 72.53 111.417 172.238 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.435 ' HD2' ' OE1' ' B' ' 48' ' ' GLN . 14.2 ptpt -91.79 -13.23 31.84 Favored 'General case' 0 N--CA 1.451 -0.42 0 C-N-CA 120.331 -0.548 . . . . 73.44 110.415 176.834 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.525 ' HB3' ' CB ' ' A' ' 21' ' ' SER . 67.8 tp -141.9 142.55 33.07 Favored 'General case' 0 C--N 1.349 0.582 0 C-N-CA 119.081 -1.048 . . . . 74.42 110.631 175.42 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.439 ' HB2' HG23 ' A' ' 20' ' ' THR . 30.3 t70 -164.4 90.52 0.57 Allowed 'General case' 0 C--N 1.33 -0.25 0 O-C-N 123.635 0.585 . . . . 74.13 109.453 176.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.404 HG22 HD11 ' A' ' 26' ' ' LEU . 11.0 m -147.42 178.07 1.02 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.427 0 CA-C-N 115.852 -0.613 . . . . 62.12 111.608 -176.128 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.466 ' HA ' ' HA ' ' A' ' 18' ' ' ARG . 0.0 OUTLIER -118.61 151.45 37.9 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.157 -0.929 . . . . 62.42 110.485 178.108 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.656 ' HA ' ' H ' ' A' ' 44' ' ' THR . 0.0 OUTLIER -130.1 155.36 46.31 Favored 'General case' 0 C--O 1.257 1.498 0 N-CA-C 109.483 -0.562 . . . . 64.12 109.483 167.723 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.571 ' HA ' ' HB3' ' A' ' 16' ' ' ASP . 73.1 m -164.24 131.11 3.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.673 -0.694 . . . . 75.34 111.547 -175.44 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.461 ' HA ' ' HD3' ' A' ' 33' ' ' PRO . . . -72.87 133.66 81.92 Favored Pre-proline 0 C--O 1.241 0.632 0 CA-C-N 115.273 -0.876 . . . . 52.21 110.65 177.314 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.461 ' HD3' ' HA ' ' A' ' 32' ' ' ALA . 33.8 Cg_exo -60.31 148.48 90.02 Favored 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 122.909 2.406 . . . . 73.33 112.177 -179.083 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 6.6 mmt85 -69.76 -3.31 14.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.223 -0.444 . . . . 50.12 111.501 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.407 ' HB3' HD22 ' A' ' 36' ' ' LEU . 9.7 tp10 -57.71 -31.55 66.53 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-O 121.045 0.45 . . . . 75.14 110.408 175.389 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.496 HD22 ' N ' ' A' ' 36' ' ' LEU . 2.2 mm? -100.58 6.2 44.11 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 115.76 -0.655 . . . . 63.44 110.324 178.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 75.46 37.57 40.73 Favored Glycine 0 N--CA 1.451 -0.363 0 N-CA-C 111.386 -0.686 . . . . 72.22 111.386 -171.647 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -76.44 -123.2 0.18 Allowed Glycine 0 C--N 1.337 0.599 0 C-N-CA 121.44 -0.409 . . . . 73.44 113.231 -178.156 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -104.17 -38.85 6.74 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 120.874 0.369 . . . . 63.22 111.28 -173.488 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 99.79 66.65 0.84 Allowed Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 121.081 -0.581 . . . . 45.53 111.862 -178.244 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -167.89 137.29 2.58 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.944 -0.391 . . . . 44.21 109.944 -178.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -86.26 57.63 4.6 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.388 0.613 . . . . 71.23 111.061 -178.427 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -85.02 -141.01 5.31 Favored Glycine 0 C--N 1.331 0.27 0 N-CA-C 110.817 -0.913 . . . . 55.55 110.817 174.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.656 ' H ' ' HA ' ' A' ' 30' ' ' LEU . 4.4 p -111.35 151.96 27.83 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.042 -0.725 . . . . 74.01 109.042 175.217 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.69 ' HB2' ' HB3' ' A' ' 48' ' ' GLN . 66.7 m-20 -86.23 133.03 41.56 Favored Pre-proline 0 C--N 1.324 -0.506 0 N-CA-C 109.373 -0.602 . . . . 72.33 109.373 -178.033 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.408 ' HB2' ' SG ' ' B' ' 57' ' ' CYS . 18.5 Cg_endo -56.95 -53.15 5.36 Favored 'Trans proline' 0 C--N 1.35 0.625 0 C-N-CA 123.101 2.534 . . . . 63.04 113.242 -174.618 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.512 ' OE1' ' HB3' ' A' ' 45' ' ' ASN . 0.0 OUTLIER -69.3 -31.72 70.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.53 -0.305 . . . . 62.13 110.385 -179.222 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.69 ' HB3' ' HB2' ' A' ' 45' ' ' ASN . 0.8 OUTLIER -63.89 -37.53 87.72 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-O 121.111 0.481 . . . . 72.35 110.336 173.948 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.502 HD12 ' HA3' ' B' ' 53' ' ' GLY . 2.8 tm? -66.73 -52.67 41.71 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 115.746 -0.661 . . . . 71.11 109.307 179.312 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 54.0 t80 -59.26 -40.0 84.64 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.07 -0.514 . . . . 64.45 110.531 177.21 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.37 -52.92 62.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 52.03 110.847 178.586 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.62 -47.36 85.91 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-N 116.091 -0.504 . . . . 51.43 110.665 -179.589 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -58.83 -53.18 48.41 Favored Glycine 0 N--CA 1.45 -0.386 0 CA-C-N 115.685 -0.689 . . . . 45.35 112.294 179.039 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -62.16 -37.3 84.7 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 122.719 0.408 . . . . 71.4 110.441 -179.224 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 32.5 t -59.68 -53.16 61.21 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.102 0.477 . . . . 50.31 110.145 178.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.618 ' HB1' HD21 ' B' ' 30' ' ' LEU . . . -69.85 -35.41 74.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.886 -0.597 . . . . 72.41 111.041 -178.796 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.412 ' SG ' ' HB3' ' B' ' 46' ' ' PRO . 88.8 m -65.32 -36.28 83.58 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.126 -0.488 . . . . 74.4 110.018 177.771 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 33.2 t80 -62.11 -38.06 87.47 Favored 'General case' 0 C--O 1.233 0.232 0 N-CA-C 109.179 -0.675 . . . . 64.12 109.179 179.411 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 47.9 tp -66.08 -51.43 58.17 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 115.174 -0.921 . . . . 74.12 110.632 178.677 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.458 ' HA ' ' HG3' ' A' ' 63' ' ' LYS . 74.7 m -63.81 -34.97 79.1 Favored 'General case' 0 C--O 1.238 0.449 0 CA-C-O 120.705 0.288 . . . . 74.4 111.138 179.017 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -59.51 -46.47 88.75 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.266 -0.642 . . . . 64.15 109.266 174.647 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 83.6 mmm -64.53 -32.85 74.67 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.645 -0.707 . . . . 61.32 111.084 176.372 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.458 ' HG3' ' HA ' ' A' ' 60' ' ' SER . 24.2 mtmm -62.6 -41.27 98.87 Favored 'General case' 0 N--CA 1.465 0.309 0 N-CA-C 109.81 -0.441 . . . . 62.32 109.81 177.242 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 44.7 t80 -71.28 -47.86 54.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.208 -0.451 . . . . 70.35 110.385 177.272 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 41.0 t -52.76 -46.57 51.12 Favored 'Isoleucine or valine' 0 C--O 1.237 0.44 0 CA-C-O 121.122 0.487 . . . . 51.41 111.116 179.257 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.431 ' HB1' ' O ' ' A' ' 71' ' ' GLN . . . -56.83 -32.9 66.21 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.022 -0.535 . . . . 55.45 110.563 179.345 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -71.41 -28.2 70.11 Favored Glycine 0 CA--C 1.518 0.219 0 CA-C-N 115.642 -0.708 . . . . 65.01 112.717 -176.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -97.27 -14.91 21.06 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.32 0.581 . . . . 73.33 109.524 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.411 ' HB3' ' HG2' ' A' ' 71' ' ' GLN . 16.7 m-80 -93.42 -3.92 52.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.197 -0.91 . . . . 73.35 110.316 173.657 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 3.0 mptp? 59.39 23.37 11.88 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 115.547 -0.752 . . . . 70.5 111.496 177.169 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.431 ' O ' ' HB1' ' A' ' 66' ' ' ALA . 2.9 pt20 -108.55 162.19 14.36 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.14 -0.936 . . . . 65.11 109.373 176.364 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 17.0 p -124.78 131.46 53.45 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 116.495 -0.321 . . . . 71.13 110.625 -177.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -109.45 137.85 20.4 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-N 116.143 -0.48 . . . . 63.13 110.312 177.338 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 10.4 Cg_endo -56.43 132.89 54.57 Favored 'Trans proline' 0 C--N 1.348 0.523 0 C-N-CA 123.273 2.649 . . . . 75.32 112.935 179.431 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -76.93 1.82 16.54 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 121.206 0.527 . . . . 74.43 111.273 177.28 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -94.71 18.14 12.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.658 0.742 . . . . 72.44 110.219 -179.781 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.512 ' HB ' HD12 ' A' ' 103' ' ' LEU . 8.2 t -90.23 166.52 13.31 Favored 'General case' 0 C--O 1.238 0.456 0 CA-C-N 115.451 -0.795 . . . . 73.42 112.297 -176.407 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.516 HG22 ' HA ' ' B' ' 12' ' ' THR . 1.1 p -148.99 149.48 31.23 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 115.526 -0.761 . . . . 65.01 110.686 -179.714 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 92.6 t -131.55 125.36 56.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 N-CA-C 109.187 -0.671 . . . . 73.54 109.187 173.415 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.436 ' HB ' ' HB3' ' A' ' 100' ' ' ARG . 47.3 m -111.54 113.09 25.27 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 120.676 0.274 . . . . 61.0 110.579 -179.497 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -93.38 106.62 18.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.111 -0.495 . . . . 75.0 109.932 177.662 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.53 ' HA ' ' HA ' ' B' ' 8' ' ' ALA . 32.2 tt0 -107.75 107.85 18.8 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.22 -0.445 . . . . 74.0 109.865 -179.837 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.535 HG12 HG22 ' A' ' 97' ' ' VAL . 34.1 m -99.43 140.11 19.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.359 -0.382 . . . . 74.25 110.745 -177.054 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.411 ' O ' ' HA ' ' A' ' 95' ' ' LEU . . . -129.76 151.1 19.2 Favored Glycine 0 N--CA 1.444 -0.791 0 N-CA-C 111.389 -0.684 . . . . 64.22 111.389 174.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -131.84 128.16 59.56 Favored 'Isoleucine or valine' 0 C--O 1.244 0.774 0 N-CA-C 109.531 -0.544 . . . . 71.32 109.531 179.538 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -155.66 169.85 33.49 Favored Glycine 0 N--CA 1.454 -0.117 0 CA-C-N 115.047 -0.978 . . . . 64.2 111.51 178.764 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.686 ' HD3' ' HG ' ' B' ' 4' ' ' LEU . 3.0 Cg_exo -73.87 127.93 11.95 Favored 'Trans proline' 0 N--CA 1.461 -0.419 0 C-N-CA 122.656 2.237 . . . . 75.13 110.834 175.599 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . 0.452 ' HB3' ' HB2' ' A' ' 94' ' ' ALA . 38.7 p30 -91.86 170.36 9.94 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.102 0.477 . . . . 63.43 111.062 -179.116 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -67.55 -14.04 62.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.722 -0.672 . . . . 74.31 111.342 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -70.6 -26.62 63.59 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 116.349 -0.387 . . . . 62.35 110.224 176.5 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.17 19.72 11.3 Favored Glycine 0 C--N 1.331 0.258 0 CA-C-N 115.954 -0.566 . . . . 52.42 112.444 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . 0.452 ' O ' ' HA ' ' A' ' 87' ' ' PRO . . . -133.41 -152.56 6.87 Favored Glycine 0 C--N 1.328 0.138 0 N-CA-C 111.204 -0.758 . . . . 74.12 111.204 177.517 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 32.9 m-85 -98.05 156.39 16.67 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.847 -0.427 . . . . 72.25 109.847 178.724 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.452 ' HB2' ' HB3' ' A' ' 88' ' ' ASN . . . -147.73 136.78 22.18 Favored 'General case' 0 C--O 1.241 0.636 0 CA-C-N 116.41 -0.359 . . . . 73.43 110.727 179.01 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.462 HD11 ' HG2' ' A' ' 47' ' ' GLU . 4.4 mm? -103.25 115.44 30.56 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 115.121 -0.945 . . . . 75.45 109.643 175.639 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 34.5 t0 -109.88 110.48 21.46 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 108.705 -0.85 . . . . 62.1 108.705 179.358 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.643 ' HB ' HG22 ' A' ' 134' ' ' VAL . 56.4 t -112.21 110.65 32.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 N-CA-C 111.898 0.332 . . . . 41.42 111.898 -170.393 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -80.44 111.19 16.61 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 110.215 -0.291 . . . . 51.52 110.215 173.304 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 57.0 mt -93.8 106.93 18.87 Favored 'General case' 0 C--O 1.234 0.253 0 N-CA-C 109.132 -0.692 . . . . 73.33 109.132 173.521 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.614 ' HA ' ' O ' ' A' ' 137' ' ' VAL . 66.0 ttt180 -99.7 107.56 19.69 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.362 -0.835 . . . . 73.43 110.474 -174.409 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 48.3 t -103.17 102.04 13.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.465 -0.334 . . . . 72.23 110.692 -173.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -99.66 101.33 12.49 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.791 0.329 . . . . 73.1 110.31 178.748 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.865 HD23 HD22 ' A' ' 106' ' ' LEU . 35.8 tp -114.45 117.5 42.8 Favored Pre-proline 0 C--N 1.327 -0.378 0 N-CA-C 108.904 -0.776 . . . . 73.31 108.904 179.41 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . 0.533 ' HD2' HD12 ' A' ' 103' ' ' LEU . 57.5 Cg_endo -73.51 148.62 42.9 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.266 1.977 . . . . 73.52 112.273 -175.895 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 74.32 15.05 80.33 Favored Glycine 0 N--CA 1.45 -0.37 0 CA-C-N 115.662 -0.699 . . . . 54.45 112.118 -177.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.865 HD22 HD23 ' A' ' 103' ' ' LEU . 30.5 tp -124.91 140.07 53.26 Favored 'General case' 0 C--O 1.236 0.359 0 C-N-CA 122.825 0.45 . . . . 65.03 110.698 -176.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . 0.425 ' HB3' ' H ' ' A' ' 110' ' ' ALA . 2.0 t70 -75.64 163.34 27.42 Favored 'General case' 0 CA--C 1.512 -0.486 0 CA-C-N 115.992 -0.549 . . . . 72.42 110.611 178.328 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.445 ' O ' ' HG3' ' A' ' 112' ' ' LYS . . . -68.85 -45.07 72.03 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.37 -0.832 . . . . 74.35 109.886 169.714 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -61.49 -44.65 96.7 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-N 115.392 -0.822 . . . . 64.13 110.771 -176.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.483 ' O ' HG22 ' A' ' 113' ' ' THR . . . -72.74 -42.25 64.28 Favored 'General case' 0 C--O 1.237 0.434 0 CA-C-N 115.958 -0.564 . . . . 73.25 110.298 178.502 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -54.63 -38.91 67.41 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 115.969 -0.559 . . . . 54.13 110.864 178.302 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.445 ' HG3' ' O ' ' A' ' 108' ' ' ALA . 10.4 mtpm? -51.88 -45.15 64.04 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.273 -0.421 . . . . 74.23 111.247 177.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . 0.483 HG22 ' O ' ' A' ' 110' ' ' ALA . 1.1 t -78.56 -37.23 43.23 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 120.958 -0.297 . . . . 74.22 110.517 -176.61 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 50.8 mt -64.07 -47.77 78.81 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 116.458 -0.337 . . . . 61.01 110.572 -178.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.49 HG21 HG12 ' A' ' 138' ' ' VAL . 93.3 t -64.36 -36.77 78.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.304 -0.407 . . . . 72.22 110.101 177.805 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -57.97 -58.38 8.67 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 121.026 0.441 . . . . 63.5 110.745 179.679 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . 0.472 ' HG2' ' O ' ' A' ' 113' ' ' THR . 9.2 ptm180 -64.98 -40.88 95.64 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-N 115.844 -0.616 . . . . 65.24 110.8 -177.225 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.421 ' HA ' HG22 ' A' ' 121' ' ' VAL . . . -61.22 -35.93 78.55 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.05 -0.523 . . . . 63.41 110.302 177.448 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . 0.477 ' O ' ' HB3' ' A' ' 125' ' ' SER . 41.9 t-80 -80.44 8.09 8.4 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 115.704 -0.68 . . . . 74.13 110.55 178.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 22.0 m-70 -108.86 -47.51 3.44 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.139 -0.482 . . . . 75.14 110.4 171.41 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.421 HG22 ' HA ' ' A' ' 118' ' ' ALA . 33.7 m -67.8 -34.75 69.43 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.419 0 N-CA-C 112.615 0.598 . . . . 74.54 112.615 -173.459 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 80.4 m -68.14 129.08 93.17 Favored Pre-proline 0 CA--C 1.535 0.397 0 N-CA-C 110.371 -0.233 . . . . 72.12 110.371 179.698 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -58.76 -38.57 88.2 Favored 'Trans proline' 0 C--N 1.352 0.741 0 C-N-CA 122.779 2.32 . . . . 74.45 112.942 -174.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 28.2 m-85 -64.28 -18.44 64.58 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 116.399 -0.364 . . . . 65.44 110.986 -178.095 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . 0.635 ' HA ' HG22 ' A' ' 128' ' ' THR . 19.4 m -63.25 -37.26 86.53 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.113 -0.494 . . . . 62.44 112.302 -172.831 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 56.2 t30 -59.53 -46.55 88.54 Favored 'General case' 0 C--O 1.239 0.535 0 CA-C-O 121.298 0.57 . . . . 73.42 110.322 -176.239 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . 0.591 ' O ' ' HB3' ' A' ' 131' ' ' ASN . . . -68.4 -17.61 64.26 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.35 -0.841 . . . . 54.1 111.539 179.817 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . 0.635 HG22 ' HA ' ' A' ' 125' ' ' SER . 0.8 OUTLIER -108.32 9.55 27.83 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.346 0.593 . . . . 73.21 109.924 -170.504 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . 0.404 HH11 ' HD3' ' A' ' 129' ' ' ARG . 3.7 ptm180 -125.55 -55.79 1.52 Allowed 'General case' 0 C--O 1.232 0.164 0 CA-C-N 115.832 -0.622 . . . . 72.04 110.658 178.647 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -78.76 -42.0 29.17 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.281 0.562 . . . . 71.52 110.534 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . 0.591 ' HB3' ' O ' ' A' ' 127' ' ' ALA . 2.5 t-20 -86.23 -43.09 13.25 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.532 -0.758 . . . . 72.12 111.04 -176.078 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . 0.568 ' HB ' ' HA ' ' A' ' 128' ' ' THR . 61.7 t -117.44 148.43 20.21 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.251 0 CA-C-N 116.545 -0.298 . . . . 70.22 110.73 -173.724 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -89.71 103.35 16.01 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.191 0.52 . . . . 45.42 110.576 -179.635 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . 0.643 HG22 ' HB ' ' A' ' 97' ' ' VAL . 71.5 t -116.67 124.1 72.39 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 115.824 -0.626 . . . . 75.02 111.028 177.678 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 3.1 tpp180 -90.26 117.39 28.97 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.405 -0.816 . . . . 72.41 109.388 178.138 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.412 HD23 ' HA ' ' A' ' 136' ' ' LEU . 50.7 mt -87.41 109.49 19.6 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.274 0.559 . . . . 50.04 111.169 -178.788 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . 0.614 ' O ' ' HA ' ' A' ' 100' ' ' ARG . 0.2 OUTLIER -115.07 114.0 45.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.221 -0.899 . . . . 74.42 110.077 179.846 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . 0.49 HG12 HG21 ' A' ' 115' ' ' VAL . 3.6 m -94.01 138.87 19.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.8 -0.636 . . . . 53.11 109.896 -179.022 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.314 -0.939 0 CA-C-N 115.83 -0.623 . . . . 73.13 111.135 -175.195 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 28.1 ptm . . . . . 0 C--O 1.234 0.252 0 CA-C-O 120.717 0.294 . . . . 72.42 110.769 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 56.6 t30 -99.44 84.78 3.04 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.045 -0.525 . . . . 61.35 109.791 179.117 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . 0.524 HG21 ' HB2' ' B' ' 6' ' ' LYS . 28.5 mm -70.39 122.89 23.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.933 -0.576 . . . . 72.42 111.321 179.554 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.686 ' HG ' ' HD3' ' A' ' 87' ' ' PRO . 88.2 mt -79.59 -45.94 18.21 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.621 -0.718 . . . . 75.25 109.744 176.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 5' ' ' TYR . . . . . . . . . . . . . 23.7 t80 -137.48 132.68 33.67 Favored 'General case' 0 CA--C 1.517 -0.318 0 CA-C-N 115.834 -0.621 . . . . 75.45 109.774 -177.456 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . 0.524 ' HB2' HG21 ' B' ' 3' ' ' ILE . 37.9 ttmt -136.36 135.93 39.24 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.903 0.382 . . . . 65.01 110.661 177.601 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 5.1 t -133.68 139.48 46.45 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.953 -0.567 . . . . 72.52 109.871 179.076 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . 0.53 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . . . -110.25 143.92 39.7 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.077 -0.51 . . . . 64.22 110.268 -177.614 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . 0.456 ' HA ' ' H ' ' B' ' 22' ' ' HIS . . . -132.75 119.6 20.54 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.947 0.403 . . . . 31.45 110.353 177.236 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 89.8 m -91.38 123.94 35.19 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.842 -0.617 . . . . 64.31 110.682 -177.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 43.1 t -111.69 113.65 26.15 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.855 -0.611 . . . . 74.14 109.667 178.352 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . 0.516 ' HA ' HG22 ' A' ' 78' ' ' THR . 4.4 m -102.0 158.32 16.23 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.701 0.286 . . . . 53.42 110.67 179.574 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -81.18 73.19 2.62 Favored Glycine 0 N--CA 1.45 -0.405 0 N-CA-C 111.254 -0.738 . . . . 71.12 111.254 174.042 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -63.6 -106.93 0.01 OUTLIER Glycine 0 C--N 1.336 0.533 0 C-N-CA 121.218 -0.515 . . . . 73.4 112.621 -179.585 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . 0.484 ' CG ' ' HB2' ' B' ' 41' ' ' ALA . 6.0 tpm_? -88.85 -52.67 4.99 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.309 -0.626 . . . . 65.14 109.309 174.028 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 16' ' ' ASP . . . . . 0.478 ' HB3' ' HA ' ' B' ' 31' ' ' SER . 25.1 t70 -125.73 -42.76 1.9 Allowed 'General case' 0 C--O 1.236 0.365 0 CA-C-N 116.155 -0.475 . . . . 65.33 109.851 169.172 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -156.24 143.14 9.41 Favored Glycine 0 N--CA 1.446 -0.695 0 C-N-CA 120.138 -1.03 . . . . 74.22 112.222 168.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 18' ' ' ARG . . . . . 0.407 ' HD3' ' HB ' ' B' ' 12' ' ' THR . 41.7 ttt180 -117.11 150.89 37.93 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 108.646 -0.872 . . . . 74.4 108.646 175.166 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -144.44 123.54 12.88 Favored 'General case' 0 C--N 1.317 -0.826 0 N-CA-C 109.302 -0.629 . . . . 64.21 109.302 179.495 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 20' ' ' THR . . . . . 0.468 ' HA ' ' O ' ' B' ' 26' ' ' LEU . 28.0 m -141.12 110.93 6.5 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 116.419 -0.355 . . . . 75.11 110.183 -177.719 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 21' ' ' SER . . . . . 0.615 ' HB2' ' HB3' ' B' ' 26' ' ' LEU . 9.3 t -65.87 107.95 2.0 Allowed 'General case' 0 C--O 1.251 1.154 0 N-CA-C 106.563 -1.644 . . . . 74.21 106.563 176.57 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 22' ' ' HIS . . . . . 0.456 ' H ' ' HA ' ' B' ' 9' ' ' ALA . 23.4 t60 -58.73 -21.49 55.28 Favored 'General case' 0 N--CA 1.466 0.351 0 O-C-N 126.77 2.544 . . . . 73.12 112.723 -163.349 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . 0.487 ' OD2' ' HE3' ' B' ' 25' ' ' LYS . 32.6 p30 -80.5 18.37 0.94 Allowed 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.457 0.646 . . . . 63.54 110.029 177.228 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 34.5 mm-40 72.05 23.01 3.55 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 114.637 -1.165 . . . . 71.43 112.035 170.238 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.487 ' HE3' ' OD2' ' B' ' 23' ' ' ASP . 16.8 ptpt -98.54 -26.14 14.52 Favored 'General case' 0 C--O 1.235 0.294 0 C-N-CA 120.492 -0.483 . . . . 41.25 111.601 178.074 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . 0.615 ' HB3' ' HB2' ' B' ' 21' ' ' SER . 60.7 tp -134.15 138.92 45.53 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 118.882 -1.127 . . . . 71.52 112.327 -176.68 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -150.86 92.66 1.85 Allowed 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 115.004 -0.998 . . . . 53.33 110.595 -177.7 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 3.3 m -140.79 178.09 3.34 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.497 0 CA-C-O 121.375 0.607 . . . . 74.12 111.944 -179.474 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.491 ' NZ ' ' HB3' ' B' ' 29' ' ' LYS . 1.2 ttpm? -134.24 146.28 49.94 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 115.13 -0.941 . . . . 64.31 110.362 179.656 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . 0.872 ' HA ' ' H ' ' B' ' 44' ' ' THR . 0.0 OUTLIER -129.3 169.89 14.3 Favored 'General case' 0 C--O 1.252 1.19 0 N-CA-C 109.669 -0.493 . . . . 72.32 109.669 173.046 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . 0.478 ' HA ' ' HB3' ' B' ' 16' ' ' ASP . 15.7 p -168.33 149.09 4.86 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 115.934 -0.576 . . . . 62.35 112.004 -171.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 32' ' ' ALA . . . . . 0.411 ' HA ' ' HD3' ' B' ' 33' ' ' PRO . . . -58.68 130.19 85.24 Favored Pre-proline 0 C--O 1.237 0.42 0 CA-C-N 115.453 -0.794 . . . . 75.13 110.062 172.721 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 33' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' B' ' 32' ' ' ALA . 75.4 Cg_exo -50.18 105.72 0.11 Allowed 'Trans proline' 0 C--N 1.35 0.657 0 C-N-CA 123.332 2.688 . . . . 71.3 113.618 -174.631 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 34' ' ' ARG . . . . . 0.425 ' HD2' ' H ' ' B' ' 39' ' ' ALA . 9.8 mmm180 -59.14 -14.27 9.78 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 115.808 -0.633 . . . . 71.43 110.698 172.596 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . 0.619 ' HG2' ' HE2' ' A' ' 5' ' ' TYR . 1.0 OUTLIER -49.5 -46.08 47.87 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 115.742 -0.663 . . . . 72.42 110.763 172.848 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.528 HD11 ' HB2' ' A' ' 5' ' ' TYR . 67.2 mt -100.47 16.09 25.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.635 -0.711 . . . . 63.52 109.96 -179.601 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 72.32 44.05 44.15 Favored Glycine 0 N--CA 1.449 -0.488 0 CA-C-N 115.792 -0.64 . . . . 51.22 111.542 -175.077 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . 0.485 ' O ' ' HB3' ' B' ' 39' ' ' ALA . . . -59.9 -25.88 62.27 Favored Glycine 0 C--N 1.335 0.499 0 C-N-CA 121.182 -0.532 . . . . 64.12 112.466 -177.24 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 39' ' ' ALA . . . . . 0.485 ' HB3' ' O ' ' B' ' 38' ' ' GLY . . . 77.44 6.07 3.01 Favored 'General case' 0 CA--C 1.503 -0.857 0 CA-C-O 122.671 1.224 . . . . 71.25 108.893 175.161 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -75.17 -96.46 0.13 Allowed Glycine 0 N--CA 1.415 -2.708 0 CA-C-N 112.169 -2.287 . . . . 53.13 112.581 179.783 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . 0.484 ' HB2' ' CG ' ' B' ' 15' ' ' ARG . . . -172.4 -171.85 0.86 Allowed 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 122.627 0.371 . . . . 45.11 110.23 -176.709 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -107.6 55.22 0.65 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.621 0.724 . . . . 74.14 109.39 178.431 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -101.26 -116.75 4.1 Favored Glycine 0 CA--C 1.519 0.283 0 CA-C-N 114.547 -1.206 . . . . 72.12 112.019 179.406 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 44' ' ' THR . . . . . 0.872 ' H ' ' HA ' ' B' ' 30' ' ' LEU . 32.7 m -125.09 147.22 49.09 Favored 'General case' 0 N--CA 1.453 -0.286 0 N-CA-C 109.447 -0.575 . . . . 35.03 109.447 179.044 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 45' ' ' ASN . . . . . 0.46 ' HA ' ' HD3' ' B' ' 46' ' ' PRO . 1.6 m-20 -81.52 135.32 49.91 Favored Pre-proline 0 C--N 1.328 -0.356 0 N-CA-C 109.922 -0.399 . . . . 71.14 109.922 -178.55 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 46' ' ' PRO . . . . . 0.46 ' HD3' ' HA ' ' B' ' 45' ' ' ASN . 40.8 Cg_exo -57.78 -56.11 1.92 Allowed 'Trans proline' 0 C--N 1.352 0.739 0 C-N-CA 123.268 2.645 . . . . 54.41 113.64 -174.251 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 47' ' ' GLU . . . . . 0.48 ' HB2' HG21 ' B' ' 83' ' ' VAL . 0.0 OUTLIER -68.57 -31.39 70.57 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-O 121.148 0.499 . . . . 73.03 109.933 -176.552 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . 0.435 ' OE1' ' HD2' ' A' ' 25' ' ' LYS . 62.1 tt0 -64.81 -40.65 95.55 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.26 -0.882 . . . . 65.22 110.019 175.594 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -64.31 -48.91 73.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.478 -0.783 . . . . 73.15 109.599 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 39.5 t80 -59.44 -45.89 90.29 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 116.379 -0.373 . . . . 74.53 110.558 177.535 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.91 -52.97 63.09 Favored 'General case' 0 C--O 1.237 0.423 0 CA-C-O 120.785 0.326 . . . . 63.22 111.339 -178.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.65 -52.32 66.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.077 -0.51 . . . . 74.31 111.035 179.666 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . 0.502 ' HA3' HD12 ' A' ' 49' ' ' LEU . . . -61.55 -38.26 95.53 Favored Glycine 0 C--N 1.331 0.267 0 C-N-CA 121.111 -0.566 . . . . 73.22 112.42 -178.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 54' ' ' TYR . . . . . 0.4 ' OH ' HG21 ' B' ' 128' ' ' THR . 2.8 t80 -65.3 -51.67 59.18 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 122.626 0.37 . . . . 73.14 110.664 179.529 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 55' ' ' SER . . . . . 0.567 ' HB3' ' HB2' ' B' ' 81' ' ' ALA . 19.1 p -58.65 -47.82 83.14 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.887 0.375 . . . . 71.55 110.477 -179.218 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 56' ' ' ALA . . . . . 0.482 ' HB1' HD11 ' A' ' 30' ' ' LEU . . . -61.63 -40.76 96.03 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 115.916 -0.584 . . . . 72.32 110.906 177.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 57' ' ' CYS . . . . . 0.408 ' SG ' ' HB2' ' A' ' 46' ' ' PRO . 52.5 t -65.32 -36.39 83.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.043 -0.526 . . . . 72.4 110.009 178.654 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 42.3 t80 -69.05 -30.33 68.66 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 115.756 -0.656 . . . . 52.32 109.885 -176.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -61.74 -52.31 64.78 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-N 115.51 -0.768 . . . . 64.41 109.036 177.001 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 60' ' ' SER . . . . . 0.465 ' O ' ' HB2' ' B' ' 63' ' ' LYS . 46.7 t -61.12 -42.12 97.96 Favored 'General case' 0 C--O 1.242 0.692 0 CA-C-O 121.352 0.596 . . . . 73.23 110.132 177.258 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . 0.506 ' O ' HG23 ' B' ' 65' ' ' VAL . . . -54.37 -45.72 72.85 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.783 -0.644 . . . . 44.1 110.242 177.067 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 62' ' ' MET . . . . . 0.495 ' HA ' ' HB ' ' B' ' 65' ' ' VAL . 19.7 mtp -71.76 -25.1 61.9 Favored 'General case' 0 N--CA 1.461 0.097 0 CA-C-N 116.436 -0.347 . . . . 71.0 111.344 179.352 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . 0.465 ' HB2' ' O ' ' B' ' 60' ' ' SER . 72.3 mmtt -60.72 -47.89 84.25 Favored 'General case' 0 C--O 1.233 0.217 0 N-CA-C 109.022 -0.733 . . . . 72.03 109.022 172.868 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 29.1 t80 -68.32 -44.77 74.64 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 115.792 -0.64 . . . . 73.11 110.897 176.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . 0.506 HG23 ' O ' ' B' ' 61' ' ' ALA . 46.4 t -56.36 -50.74 70.49 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.208 0 CA-C-O 120.849 0.357 . . . . 75.05 110.783 -179.602 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -56.43 -32.8 65.23 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.285 -0.416 . . . . 74.13 110.463 179.703 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -69.51 -35.87 76.0 Favored Glycine 0 N--CA 1.452 -0.291 0 CA-C-N 115.661 -0.699 . . . . 75.04 112.209 -178.474 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -91.5 -13.66 31.8 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.381 0.61 . . . . 64.5 109.394 -176.8 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 15.9 m-80 -95.29 2.27 54.73 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.104 -0.953 . . . . 65.21 110.744 176.237 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 2.5 mptp? 60.88 26.05 15.95 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 115.795 -0.639 . . . . 73.12 111.492 175.029 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -117.78 165.55 13.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.711 -0.677 . . . . 74.24 110.101 179.576 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 34.5 p -120.78 141.33 50.61 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.402 -0.363 . . . . 74.12 110.561 179.331 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . 0.431 ' HA ' ' HD3' ' B' ' 74' ' ' PRO . 96.9 mt -109.39 137.65 20.32 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-N 116.222 -0.445 . . . . 75.15 110.003 177.307 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 74' ' ' PRO . . . . . 0.511 ' HD2' HD11 ' B' ' 103' ' ' LEU . 39.7 Cg_exo -62.56 151.81 81.14 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.728 2.285 . . . . 62.01 111.98 177.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -77.13 -24.0 51.68 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.35 0.595 . . . . 71.53 111.324 -179.03 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -82.76 23.47 0.81 Allowed 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.171 -0.922 . . . . 60.22 111.874 -173.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 77' ' ' THR . . . . . . . . . . . . . 7.9 t -94.94 159.94 14.8 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.088 0.471 . . . . 73.25 111.78 -175.791 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 25.6 m -154.54 150.84 28.19 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 115.886 -0.597 . . . . 71.23 109.725 -178.453 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 73.5 t -125.17 117.93 51.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 N-CA-C 109.995 -0.372 . . . . 54.24 109.995 175.244 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 21.2 m -101.58 110.49 22.49 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 120.949 0.404 . . . . 72.42 110.44 -179.3 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 81' ' ' ALA . . . . . 0.567 ' HB2' ' HB3' ' B' ' 55' ' ' SER . . . -94.24 107.58 19.51 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.796 -0.638 . . . . 73.43 110.854 -179.042 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 82' ' ' GLU . . . . . 0.612 ' HB3' ' HB3' ' B' ' 98' ' ' GLU . 35.2 tt0 -90.8 139.95 30.26 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.17 -0.678 . . . . 71.23 109.17 172.789 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . 0.48 HG21 ' HB2' ' B' ' 47' ' ' GLU . 9.0 p -142.42 136.64 28.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-O 120.811 0.339 . . . . 71.44 110.211 179.736 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 84' ' ' GLY . . . . . 0.424 ' HA2' ' HA ' ' A' ' 6' ' ' LYS . . . -140.57 165.53 26.09 Favored Glycine 0 N--CA 1.447 -0.594 0 N-CA-C 111.807 -0.517 . . . . 52.45 111.807 178.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -145.05 131.21 14.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 N-CA-C 109.546 -0.539 . . . . 73.1 109.546 -178.144 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 86' ' ' GLY . . . . . 0.435 ' HA2' ' HG ' ' A' ' 4' ' ' LEU . . . -155.63 169.63 33.46 Favored Glycine 0 N--CA 1.452 -0.256 0 CA-C-N 115.477 -0.783 . . . . 52.3 111.237 177.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 87' ' ' PRO . . . . . 0.748 ' HD3' ' HG ' ' A' ' 4' ' ' LEU . 5.4 Cg_exo -79.22 124.17 5.87 Favored 'Trans proline' 0 N--CA 1.458 -0.61 0 C-N-CA 122.736 2.291 . . . . 61.3 110.959 176.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 88' ' ' ASN . . . . . . . . . . . . . 36.5 p30 -76.45 167.4 21.91 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.433 -0.348 . . . . 72.3 110.393 178.792 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -66.65 -15.74 63.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 65.22 111.426 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -78.35 -21.21 49.84 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-N 115.8 -0.636 . . . . 74.05 111.52 -177.456 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.2 35.14 3.47 Favored Glycine 0 CA--C 1.517 0.163 0 CA-C-N 116.212 -0.449 . . . . 72.2 112.711 177.408 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 92' ' ' GLY . . . . . 0.479 ' O ' ' HA ' ' B' ' 87' ' ' PRO . . . -146.07 -166.75 12.21 Favored Glycine 0 N--CA 1.452 -0.27 0 N-CA-C 111.086 -0.806 . . . . 70.13 111.086 177.288 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 93' ' ' PHE . . . . . . . . . . . . . 54.0 m-85 -97.72 149.3 22.45 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.612 -0.514 . . . . 73.12 109.612 178.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 94' ' ' ALA . . . . . 0.458 ' O ' ' HE1' ' A' ' 1' ' ' MET . . . -144.5 140.36 28.83 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.441 -0.345 . . . . 62.21 110.136 -177.146 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -100.09 127.93 46.26 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.676 -0.693 . . . . 74.21 109.932 179.171 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 96' ' ' ASP . . . . . 0.591 ' HB2' ' SD ' ' A' ' 1' ' ' MET . 18.4 t70 -109.88 110.2 21.08 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 108.317 -0.994 . . . . 73.53 108.317 177.447 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 97' ' ' VAL . . . . . 0.805 ' HB ' HG22 ' B' ' 134' ' ' VAL . 47.3 t -116.94 146.52 21.25 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 CA-C-N 116.217 -0.447 . . . . 65.34 110.616 -174.411 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 98' ' ' GLU . . . . . 0.612 ' HB3' ' HB3' ' B' ' 82' ' ' GLU . 34.3 tt0 -139.98 109.0 6.03 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.114 -0.493 . . . . 74.42 109.72 -178.621 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 96.0 mt -96.91 110.8 23.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.489 -0.323 . . . . 61.12 110.322 -178.191 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 100' ' ' ARG . . . . . 0.448 ' HA ' ' O ' ' B' ' 137' ' ' VAL . 97.4 mtt180 -99.37 118.15 35.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.105 -0.498 . . . . 64.11 110.012 -178.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 101' ' ' VAL . . . . . 0.406 HG21 HG22 ' B' ' 115' ' ' VAL . 92.3 t -100.81 100.23 9.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 116.113 -0.494 . . . . 60.12 110.16 -177.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 102' ' ' ALA . . . . . 0.473 ' HA ' ' HB3' ' B' ' 139' ' ' ALA . . . -91.82 101.23 13.82 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 108.951 -0.759 . . . . 53.32 108.951 177.013 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 103' ' ' LEU . . . . . 0.55 HD12 ' HD2' ' B' ' 104' ' ' PRO . 14.5 tp -124.19 106.74 30.62 Favored Pre-proline 0 C--N 1.325 -0.495 0 N-CA-C 108.924 -0.769 . . . . 72.24 108.924 -176.258 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 104' ' ' PRO . . . . . 0.55 ' HD2' HD12 ' B' ' 103' ' ' LEU . 69.5 Cg_endo -72.88 153.65 53.14 Favored 'Trans proline' 0 C--N 1.347 0.488 0 C-N-CA 123.199 2.599 . . . . 74.24 112.969 -173.222 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 105' ' ' GLY . . . . . . . . . . . . . . . 72.36 15.25 77.1 Favored Glycine 0 C--N 1.331 0.252 0 CA-C-N 116.008 -0.542 . . . . 72.34 112.469 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 106' ' ' LEU . . . . . 0.535 HD22 HD23 ' B' ' 103' ' ' LEU . 21.8 tp -130.98 144.23 51.32 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 122.794 0.438 . . . . 60.53 110.631 -174.433 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 107' ' ' ASP . . . . . 0.404 ' O ' ' HB2' ' B' ' 111' ' ' ALA . 2.0 t70 -74.82 163.26 27.86 Favored 'General case' 0 CA--C 1.511 -0.548 0 CA-C-O 120.844 0.354 . . . . 63.12 110.784 178.437 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 108' ' ' ALA . . . . . 0.512 ' O ' ' HG3' ' B' ' 112' ' ' LYS . . . -68.55 -45.32 72.46 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.298 -0.865 . . . . 34.32 110.023 170.411 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 109' ' ' ALA . . . . . 0.427 ' HA ' ' HE2' ' B' ' 112' ' ' LYS . . . -60.45 -49.54 77.16 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.67 -0.695 . . . . 64.51 110.469 -176.509 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 110' ' ' ALA . . . . . 0.516 ' O ' ' HG ' ' B' ' 114' ' ' LEU . . . -69.34 -41.61 76.41 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.516 -0.765 . . . . 72.03 110.096 179.147 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 111' ' ' ALA . . . . . 0.51 ' HA ' HD21 ' B' ' 106' ' ' LEU . . . -54.91 -41.68 71.25 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 115.96 -0.564 . . . . 64.14 111.292 179.631 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 112' ' ' LYS . . . . . 0.512 ' HG3' ' O ' ' B' ' 108' ' ' ALA . 49.2 mtmt -54.24 -49.48 69.38 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.797 0.332 . . . . 74.45 111.122 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 113' ' ' THR . . . . . 0.48 HG22 ' O ' ' B' ' 110' ' ' ALA . 1.1 t -70.48 -34.2 72.11 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.237 -0.438 . . . . 72.03 110.463 -177.184 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 114' ' ' LEU . . . . . 0.516 ' HG ' ' O ' ' B' ' 110' ' ' ALA . 43.0 mt -66.17 -39.04 89.46 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 121.149 0.5 . . . . 70.23 109.913 177.433 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 115' ' ' VAL . . . . . 0.583 HG21 HG12 ' B' ' 138' ' ' VAL . 76.9 t -66.77 -37.79 80.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.695 -0.684 . . . . 63.55 110.065 175.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -58.82 -60.71 3.41 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.019 -0.537 . . . . 75.43 110.958 177.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 117' ' ' ARG . . . . . . . . . . . . . 14.2 ptm180 -62.28 -39.65 93.63 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 115.977 -0.556 . . . . 70.2 110.717 -177.651 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -60.33 -39.36 86.81 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.999 0.428 . . . . 61.11 110.204 176.232 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 119' ' ' HIS . . . . . 0.51 ' HA ' ' HB2' ' B' ' 125' ' ' SER . 59.2 m80 -88.99 10.76 20.35 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 115.977 -0.556 . . . . 74.31 111.227 178.582 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 10.1 t60 -108.49 -40.22 5.18 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.17 -0.468 . . . . 61.52 110.034 179.046 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 34.8 m -86.47 -34.42 7.92 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.249 0 CA-C-N 116.079 -0.51 . . . . 63.42 112.113 -175.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 122' ' ' CYS . . . . . 0.582 ' HB2' ' OG ' ' B' ' 125' ' ' SER . 60.8 m -77.95 135.1 63.4 Favored Pre-proline 0 CA--C 1.537 0.46 0 CA-C-O 120.531 0.205 . . . . 74.53 110.762 -177.735 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 123' ' ' PRO . . . . . 0.443 ' HD3' ' HA ' ' B' ' 122' ' ' CYS . 52.6 Cg_exo -54.2 -63.19 0.23 Allowed 'Trans proline' 0 C--N 1.349 0.604 0 C-N-CA 123.102 2.535 . . . . 65.25 112.904 -176.673 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 124' ' ' TYR . . . . . 0.472 ' O ' ' HB ' ' B' ' 128' ' ' THR . 28.6 m-85 -52.61 -30.91 33.83 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 116.136 -0.484 . . . . 65.35 111.406 -176.595 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 125' ' ' SER . . . . . 0.582 ' OG ' ' HB2' ' B' ' 122' ' ' CYS . 52.0 p -84.29 -35.24 23.47 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.556 -0.293 . . . . 64.23 111.753 -175.351 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 126' ' ' ASN . . . . . . . . . . . . . 44.3 t30 -59.46 -41.83 90.61 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 108.767 -0.827 . . . . 74.24 108.767 175.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 127' ' ' ALA . . . . . 0.648 ' O ' ' HB3' ' B' ' 131' ' ' ASN . . . -88.1 6.38 36.59 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 114.598 -1.183 . . . . 65.3 112.164 -179.05 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 128' ' ' THR . . . . . 0.543 HG22 ' O ' ' B' ' 125' ' ' SER . 1.2 t -103.01 -22.67 13.76 Favored 'General case' 0 CA--C 1.517 -0.289 0 O-C-N 121.649 -0.657 . . . . 55.14 109.479 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 129' ' ' ARG . . . . . . . . . . . . . 13.9 ptm180 -102.49 -45.36 5.09 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.634 -0.712 . . . . 75.21 109.35 -175.222 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 130' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -78.9 -28.38 43.98 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.182 -0.917 . . . . 74.14 111.432 -179.175 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 131' ' ' ASN . . . . . 0.648 ' HB3' ' O ' ' B' ' 127' ' ' ALA . 0.2 OUTLIER -102.81 -39.41 7.0 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 116.146 -0.479 . . . . 75.43 110.78 -174.67 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 132' ' ' VAL . . . . . 0.406 HG12 ' N ' ' B' ' 133' ' ' ALA . 34.1 t -115.35 157.91 15.89 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 CA-C-O 120.941 0.4 . . . . 52.13 111.186 -172.048 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 133' ' ' ALA . . . . . 0.406 ' N ' HG12 ' B' ' 132' ' ' VAL . . . -84.44 90.32 7.58 Favored 'General case' 0 C--O 1.241 0.63 0 CA-C-O 121.655 0.741 . . . . 72.23 110.449 178.844 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 134' ' ' VAL . . . . . 0.805 HG22 ' HB ' ' B' ' 97' ' ' VAL . 59.1 t -127.74 122.97 60.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 114.846 -1.07 . . . . 61.1 110.958 -176.806 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 135' ' ' ARG . . . . . 0.415 HH12 ' CG ' ' B' ' 96' ' ' ASP . 87.5 mtm-85 -84.87 119.52 25.43 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.31 -0.404 . . . . 74.32 110.075 175.009 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 73.9 mt -85.86 104.65 15.72 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-O 121.182 0.515 . . . . 72.41 109.785 174.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 137' ' ' VAL . . . . . 0.448 ' O ' ' HA ' ' B' ' 100' ' ' ARG . 0.1 OUTLIER -115.95 127.85 73.41 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-N 114.825 -1.08 . . . . 72.22 109.778 -176.511 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 138' ' ' VAL . . . . . 0.583 HG12 HG21 ' B' ' 115' ' ' VAL . 3.6 m -100.38 138.27 25.23 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 N-CA-C 109.478 -0.564 . . . . 70.52 109.478 -178.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 139' ' ' ALA . . . . . 0.473 ' HB3' ' HA ' ' B' ' 102' ' ' ALA . . . . . . . . 0 C--O 1.25 1.101 0 CA-C-O 118.578 -0.725 . . . . 71.35 110.67 -172.494 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.5 ptt? . . . . . 0 N--CA 1.483 1.177 0 CA-C-O 120.726 0.298 . . . . 71.43 110.293 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 41.7 t30 -69.8 76.54 0.45 Allowed 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 116.089 -0.505 . . . . 75.52 110.868 176.644 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.445 HG21 ' HB2' ' A' ' 6' ' ' LYS . 30.8 mm -73.82 133.96 30.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 116.031 -0.532 . . . . 51.02 111.235 174.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.64 ' HG ' ' HD3' ' B' ' 87' ' ' PRO . 89.6 mt -89.85 -49.5 6.58 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.58 -0.737 . . . . 74.21 109.848 174.263 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 42.1 t80 -131.99 131.48 42.6 Favored 'General case' 0 CA--C 1.517 -0.293 0 CA-C-N 115.903 -0.589 . . . . 54.43 109.652 -177.068 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.445 ' HB2' HG21 ' A' ' 3' ' ' ILE . 37.8 ttmt -136.05 143.72 44.85 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.456 -0.338 . . . . 62.42 110.663 176.627 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 10.3 t -147.71 146.01 29.09 Favored 'General case' 0 C--O 1.239 0.501 0 CA-C-N 115.809 -0.632 . . . . 73.02 109.458 176.597 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -112.07 134.63 53.5 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.141 0.496 . . . . 64.34 110.954 -178.388 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -129.29 121.79 28.26 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.883 -0.598 . . . . 65.14 109.486 177.097 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.567 ' HA ' ' HA ' ' B' ' 80' ' ' THR . 14.5 t -99.39 146.09 26.68 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.708 -0.478 . . . . 73.43 109.708 -177.81 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 26.6 p -130.47 113.51 14.38 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 121.036 0.446 . . . . 71.32 110.379 -178.117 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.5 m -92.88 154.91 17.93 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.811 -0.631 . . . . 72.12 110.438 -178.511 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -81.03 77.72 1.99 Allowed Glycine 0 N--CA 1.447 -0.625 0 C-N-CA 120.748 -0.739 . . . . 62.44 111.884 176.7 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -61.76 -129.17 0.01 OUTLIER Glycine 0 CA--C 1.527 0.815 0 C-N-CA 121.05 -0.595 . . . . 62.02 112.426 172.07 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 26.5 tpt180 -70.36 -51.86 26.86 Favored 'General case' 0 N--CA 1.465 0.276 0 O-C-N 122.247 -0.56 . . . . 73.04 110.081 177.127 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.524 ' HB3' ' HA ' ' A' ' 31' ' ' SER . 17.2 t70 -125.56 -42.33 1.96 Allowed 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 108.912 -0.773 . . . . 74.22 108.912 175.651 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -164.28 152.71 22.63 Favored Glycine 0 C--N 1.341 0.842 0 C-N-CA 119.946 -1.121 . . . . 73.12 112.083 167.392 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.518 ' HA ' ' HA ' ' A' ' 29' ' ' LYS . 65.8 ttt180 -126.42 150.43 48.64 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 108.667 -0.864 . . . . 73.24 108.667 173.054 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.515 ' HB1' ' HB1' ' B' ' 52' ' ' ALA . . . -140.13 123.8 17.26 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.658 -0.497 . . . . 71.12 109.658 -179.125 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 62.5 m -142.42 114.82 8.42 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.028 -0.533 . . . . 63.53 110.976 -173.664 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.623 ' HB3' ' N ' ' A' ' 26' ' ' LEU . 27.5 t -71.1 111.45 6.47 Favored 'General case' 0 C--O 1.245 0.83 0 N-CA-C 107.38 -1.341 . . . . 62.3 107.38 173.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 59.2 t-80 -55.34 -24.47 29.34 Favored 'General case' 0 N--CA 1.466 0.354 0 O-C-N 125.737 1.898 . . . . 71.44 111.894 -166.483 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.498 ' HB3' ' HE2' ' A' ' 25' ' ' LYS . 30.7 t70 -80.69 15.35 1.75 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.153 -0.476 . . . . 73.43 110.246 -179.045 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 31.7 mm-40 68.73 17.04 8.91 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 115.756 -0.656 . . . . 72.53 110.329 -178.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.498 ' HE2' ' HB3' ' A' ' 23' ' ' ASP . 56.5 mtmt -85.91 -13.29 48.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.698 -0.683 . . . . 73.44 110.851 179.1 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.623 ' N ' ' HB3' ' A' ' 21' ' ' SER . 42.7 tp -156.96 146.22 20.31 Favored 'General case' 0 C--O 1.222 -0.357 0 C-N-CA 120.282 -0.567 . . . . 74.42 111.009 172.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -161.26 99.78 1.19 Allowed 'General case' 0 N--CA 1.466 0.328 0 O-C-N 123.447 0.467 . . . . 74.13 110.661 174.685 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 2.7 m -148.86 177.81 0.82 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.61 0 C-N-CA 122.734 0.413 . . . . 62.12 111.273 176.768 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.518 ' HA ' ' HA ' ' A' ' 18' ' ' ARG . 0.0 OUTLIER -124.59 142.4 51.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.806 -0.634 . . . . 62.42 110.167 177.771 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.577 ' HB2' ' O ' ' A' ' 44' ' ' THR . 0.0 OUTLIER -124.5 166.22 16.42 Favored 'General case' 0 C--O 1.25 1.087 0 CA-C-N 116.047 -0.524 . . . . 64.12 109.618 175.316 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.524 ' HA ' ' HB3' ' A' ' 16' ' ' ASP . 58.4 p -173.74 134.15 0.47 Allowed 'General case' 0 N--CA 1.445 -0.694 0 CA-C-N 115.959 -0.564 . . . . 75.34 111.504 -172.754 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -74.16 138.95 75.52 Favored Pre-proline 0 C--N 1.322 -0.614 0 N-CA-C 108.715 -0.846 . . . . 52.21 108.715 168.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -73.12 40.64 0.52 Allowed 'Trans proline' 0 CA--C 1.535 0.537 0 C-N-CA 122.726 2.284 . . . . 73.33 111.838 178.539 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.516 ' O ' ' N ' ' A' ' 36' ' ' LEU . 9.4 ttt180 57.48 -88.73 0.02 OUTLIER 'General case' 0 N--CA 1.449 -0.509 0 C-N-CA 123.674 0.79 . . . . 50.12 110.824 -176.125 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 51.27 -75.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 O-C-N 124.21 0.944 . . . . 75.14 112.708 178.45 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.516 ' N ' ' O ' ' A' ' 34' ' ' ARG . 40.3 mt -85.87 -27.44 25.04 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.715 -0.675 . . . . 63.44 109.894 -171.793 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 149.45 48.47 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.27 0 CA-C-N 115.741 -0.663 . . . . 72.22 112.627 176.685 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.416 ' H ' ' HA ' ' A' ' 34' ' ' ARG . . . -102.76 -135.92 8.93 Favored Glycine 0 N--CA 1.447 -0.567 0 C-N-CA 120.288 -0.958 . . . . 73.44 111.211 178.708 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -108.78 -36.81 6.04 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.07 0.462 . . . . 63.22 110.619 178.494 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 83.36 96.22 0.58 Allowed Glycine 0 N--CA 1.451 -0.362 0 CA-C-N 115.901 -0.591 . . . . 45.53 112.183 -178.478 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -158.57 158.69 34.42 Favored 'General case' 0 C--O 1.237 0.439 0 CA-C-O 120.842 0.353 . . . . 44.21 111.134 178.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.405 ' H ' ' HG2' ' A' ' 42' ' ' GLU . 10.3 pt-20 -76.12 83.72 2.96 Favored 'General case' 0 C--O 1.238 0.476 0 CA-C-O 122.037 0.922 . . . . 71.23 110.524 178.564 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -145.7 -163.28 10.14 Favored Glycine 0 C--N 1.313 -0.712 0 CA-C-N 114.937 -1.028 . . . . 55.55 111.546 177.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.577 ' O ' ' HB2' ' A' ' 30' ' ' LEU . 28.3 m -100.78 134.69 43.37 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.584 0.231 . . . . 74.01 110.784 -179.016 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -63.93 128.22 92.67 Favored Pre-proline 0 N--CA 1.463 0.208 0 N-CA-C 109.612 -0.514 . . . . 72.33 109.612 169.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 8.3 Cg_endo -51.23 -45.3 37.85 Favored 'Trans proline' 0 CA--C 1.536 0.575 0 C-N-CA 122.737 2.291 . . . . 63.04 112.473 177.456 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -60.25 -44.35 95.35 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-O 121.681 0.753 . . . . 62.13 109.023 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.417 HE21 ' HB3' ' A' ' 48' ' ' GLN . 7.2 tt0 -61.58 -38.29 86.99 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 114.479 -1.237 . . . . 72.35 110.769 178.251 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.446 HD12 ' HA3' ' B' ' 53' ' ' GLY . 3.2 tm? -64.13 -49.45 72.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.605 -0.725 . . . . 71.11 109.872 -178.337 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 46.9 t80 -64.02 -48.24 77.09 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 116.25 -0.432 . . . . 64.45 110.827 178.645 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -53.5 -48.88 68.58 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-O 120.728 0.299 . . . . 52.03 111.446 177.763 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -61.58 -52.67 63.45 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-O 120.941 0.4 . . . . 51.43 110.625 -179.642 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -62.83 -34.83 90.88 Favored Glycine 0 C--O 1.226 -0.361 0 CA-C-N 115.738 -0.664 . . . . 45.35 112.559 -179.093 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -70.84 -43.95 67.47 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 122.618 0.367 . . . . 71.4 110.616 -177.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.536 ' HB3' ' HB2' ' A' ' 81' ' ' ALA . 32.7 p -64.13 -48.17 77.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.798 0.332 . . . . 50.31 110.128 178.169 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.461 ' HB1' HD21 ' B' ' 30' ' ' LEU . . . -61.44 -39.24 90.11 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 115.974 -0.557 . . . . 72.41 110.609 176.673 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 53.5 t -65.41 -36.13 83.01 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.072 -0.513 . . . . 74.4 110.056 178.045 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 12.4 t80 -63.39 -29.76 71.01 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.175 -0.466 . . . . 64.12 109.885 -178.503 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.458 HD21 HG23 ' A' ' 79' ' ' VAL . 95.7 mt -64.42 -54.3 34.8 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 116.046 -0.525 . . . . 74.12 109.822 174.549 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 32.0 t -57.47 -39.35 76.17 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 115.75 -0.659 . . . . 74.4 110.31 177.473 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.412 ' O ' HG23 ' A' ' 65' ' ' VAL . . . -62.03 -48.24 81.14 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.836 -0.62 . . . . 64.15 110.096 178.675 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . 0.411 ' SD ' ' HB1' ' A' ' 118' ' ' ALA . 83.4 mmm -65.5 -25.87 67.67 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.297 -0.411 . . . . 61.32 110.755 178.144 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.13 -47.38 74.29 Favored 'General case' 0 CA--C 1.531 0.214 0 N-CA-C 108.598 -0.89 . . . . 62.32 108.598 175.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 74.7 t80 -65.61 -44.69 85.77 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 115.54 -0.754 . . . . 70.35 110.5 177.336 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.412 HG23 ' O ' ' A' ' 61' ' ' ALA . 53.3 t -57.12 -48.92 81.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.116 -0.493 . . . . 51.41 110.359 177.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.41 -30.41 68.44 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.083 0.468 . . . . 55.45 110.149 177.21 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -72.15 -30.84 64.64 Favored Glycine 0 N--CA 1.454 -0.11 0 CA-C-N 115.463 -0.79 . . . . 65.01 112.205 -178.165 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -94.08 -16.78 23.49 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 109.307 -0.627 . . . . 73.33 109.307 -179.383 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 17.5 m-80 -97.19 5.19 50.53 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.237 -0.892 . . . . 73.35 110.095 177.166 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.401 ' N ' ' HD3' ' A' ' 70' ' ' LYS . 22.9 mmtm 60.45 22.32 11.96 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 114.961 -1.018 . . . . 70.5 111.366 171.615 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -113.76 169.02 9.29 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.843 -0.617 . . . . 65.11 110.904 -177.551 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 32.3 p -123.81 137.87 54.59 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.913 -0.585 . . . . 71.13 110.618 178.324 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.438 ' HA ' ' HD3' ' A' ' 74' ' ' PRO . 94.4 mt -109.38 137.98 20.4 Favored Pre-proline 0 C--N 1.325 -0.492 0 CA-C-N 116.048 -0.524 . . . . 63.13 110.255 178.374 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.44 ' HB2' ' HG2' ' A' ' 104' ' ' PRO . 37.3 Cg_exo -58.09 131.34 42.81 Favored 'Trans proline' 0 C--N 1.349 0.598 0 C-N-CA 122.747 2.298 . . . . 75.32 112.42 -178.563 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -77.32 -1.51 30.21 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 121.008 0.432 . . . . 74.43 111.886 -177.295 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -87.31 5.01 40.55 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.345 0.593 . . . . 72.44 110.855 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.506 ' HB ' HD12 ' A' ' 103' ' ' LEU . 9.9 t -75.81 165.25 25.29 Favored 'General case' 0 C--O 1.238 0.451 0 CA-C-N 115.754 -0.657 . . . . 73.42 112.315 -174.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.551 HG23 ' HA ' ' B' ' 12' ' ' THR . 23.6 m -158.18 149.39 21.05 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 115.517 -0.765 . . . . 65.01 109.455 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.458 HG23 HD21 ' A' ' 59' ' ' LEU . 70.1 t -130.67 126.49 60.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 N-CA-C 110.123 -0.325 . . . . 73.54 110.123 177.727 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 29.1 m -107.43 110.41 22.37 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.892 0.377 . . . . 61.0 110.688 179.106 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.536 ' HB2' ' HB3' ' A' ' 55' ' ' SER . . . -93.48 104.78 16.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.041 -0.527 . . . . 75.0 109.809 177.878 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.464 ' HG2' ' HD3' ' B' ' 6' ' ' LYS . 32.6 tt0 -100.94 107.93 19.54 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.103 -0.703 . . . . 74.0 109.103 178.714 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.628 HG23 HG22 ' A' ' 97' ' ' VAL . 7.5 p -106.35 140.68 23.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.958 -0.565 . . . . 74.25 110.704 -173.449 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.406 ' HA2' ' HA ' ' B' ' 6' ' ' LYS . . . -145.35 170.96 26.57 Favored Glycine 0 N--CA 1.443 -0.885 0 CA-C-N 116.037 -0.529 . . . . 64.22 111.998 179.275 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.466 HD11 ' CD2' ' A' ' 93' ' ' PHE . 0.0 OUTLIER -146.3 139.81 20.55 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 N-CA-C 109.756 -0.461 . . . . 71.32 109.756 -178.046 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -149.68 169.9 29.85 Favored Glycine 0 CA--C 1.517 0.213 0 N-CA-C 110.903 -0.879 . . . . 64.2 110.903 -179.201 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.653 ' HD3' ' HG ' ' B' ' 4' ' ' LEU . 74.5 Cg_endo -73.45 142.04 32.54 Favored 'Trans proline' 0 C--O 1.234 0.305 0 C-N-CA 122.38 2.053 . . . . 75.13 112.054 -176.499 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 49.9 t-20 -99.06 146.03 26.5 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.21 -0.663 . . . . 63.43 109.21 178.551 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -63.92 -15.72 59.77 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-O 120.9 0.381 . . . . 74.31 111.286 -178.489 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -67.32 -25.15 65.87 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-O 121.255 0.55 . . . . 62.35 110.055 174.368 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.22 26.57 6.55 Favored Glycine 0 N--CA 1.451 -0.333 0 CA-C-N 115.507 -0.769 . . . . 52.42 111.664 -176.03 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -132.7 -140.77 4.5 Favored Glycine 0 N--CA 1.45 -0.406 0 N-CA-C 111.193 -0.763 . . . . 74.12 111.193 177.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.466 ' CD2' HD11 ' A' ' 85' ' ' ILE . 43.4 m-85 -119.07 153.8 34.18 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.038 0.447 . . . . 72.25 110.562 -179.86 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -137.41 131.15 31.6 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.492 -0.776 . . . . 73.43 109.18 -179.49 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -95.62 132.29 40.93 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.124 0.488 . . . . 75.45 111.346 -174.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.568 ' HB2' ' SD ' ' B' ' 1' ' ' MET . 13.8 t70 -116.39 110.32 18.52 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.065 -0.97 . . . . 62.1 108.791 178.806 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.764 ' HB ' HG22 ' A' ' 134' ' ' VAL . 46.5 t -120.3 110.72 29.62 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 C-N-CA 120.823 -0.351 . . . . 41.42 110.555 -177.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -98.28 107.58 20.09 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.715 -0.476 . . . . 51.52 109.715 178.489 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 14.7 tp -97.64 108.65 21.42 Favored 'General case' 0 C--O 1.235 0.332 0 N-CA-C 109.614 -0.513 . . . . 73.33 109.614 -176.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.562 ' HA ' ' O ' ' A' ' 137' ' ' VAL . 64.6 mtt180 -99.43 111.76 24.07 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.033 -0.53 . . . . 73.43 110.545 -175.446 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 41.4 t -101.73 100.46 10.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.241 -0.436 . . . . 72.23 110.775 -174.496 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -92.5 101.36 13.8 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 110.285 -0.265 . . . . 73.1 110.285 178.568 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.897 HD23 HD22 ' A' ' 106' ' ' LEU . 22.8 tp -115.22 115.21 42.88 Favored Pre-proline 0 C--N 1.328 -0.362 0 N-CA-C 108.986 -0.746 . . . . 73.31 108.986 178.502 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . 0.555 ' HD2' HD12 ' A' ' 103' ' ' LEU . 60.3 Cg_endo -71.88 149.24 53.32 Favored 'Trans proline' 0 C--O 1.234 0.312 0 C-N-CA 122.948 2.432 . . . . 73.52 113.07 -172.818 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 70.27 15.19 72.24 Favored Glycine 0 CA--C 1.519 0.303 0 CA-C-N 115.41 -0.814 . . . . 54.45 112.753 -179.216 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.897 HD22 HD23 ' A' ' 103' ' ' LEU . 32.2 tp -118.83 142.16 47.98 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 122.742 0.417 . . . . 65.03 110.609 -176.236 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -75.39 163.17 27.71 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-O 120.846 0.355 . . . . 72.42 110.974 179.702 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -64.75 -45.95 84.25 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.4 -0.818 . . . . 74.35 110.218 170.54 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -64.2 -49.76 70.76 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 115.509 -0.769 . . . . 64.13 110.665 -176.44 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.545 ' O ' HG22 ' A' ' 113' ' ' THR . . . -66.48 -43.45 85.37 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.675 -0.693 . . . . 73.25 109.776 -178.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . 0.503 ' HA ' HD21 ' A' ' 106' ' ' LEU . . . -54.72 -46.32 74.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.949 -0.569 . . . . 54.13 111.357 177.549 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.423 ' O ' ' HB2' ' A' ' 116' ' ' ASP . 63.1 mmtt -54.48 -36.51 64.23 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 116.426 -0.352 . . . . 74.23 111.397 179.628 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . 0.545 HG22 ' O ' ' A' ' 110' ' ' ALA . 0.7 OUTLIER -82.24 -37.37 26.05 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-O 120.668 0.27 . . . . 74.22 110.969 -177.889 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.497 ' HG ' ' O ' ' A' ' 110' ' ' ALA . 55.4 mt -65.53 -49.48 68.78 Favored 'General case' 0 C--O 1.231 0.11 0 CA-C-O 120.884 0.373 . . . . 61.01 110.372 -177.812 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.408 ' O ' ' HB2' ' A' ' 119' ' ' HIS . 63.6 t -64.78 -32.86 59.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.859 -0.609 . . . . 72.22 110.102 179.017 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . 0.423 ' HB2' ' O ' ' A' ' 112' ' ' LYS . 10.8 t70 -61.17 -60.97 2.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.695 -0.684 . . . . 63.5 110.369 179.803 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 12.8 ptm180 -68.56 -37.43 79.91 Favored 'General case' 0 N--CA 1.457 -0.096 0 CA-C-N 116.292 -0.413 . . . . 65.24 111.052 -175.549 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.411 ' HB1' ' SD ' ' A' ' 62' ' ' MET . . . -59.56 -46.61 88.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.197 0.522 . . . . 63.41 110.41 177.878 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . 0.408 ' HB2' ' O ' ' A' ' 115' ' ' VAL . 1.3 t60 -76.68 -1.76 29.4 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 115.718 -0.674 . . . . 74.13 110.417 -178.855 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 10.1 t60 -98.62 -42.49 7.24 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 115.834 -0.621 . . . . 75.14 110.311 176.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 34.1 m -85.84 -43.52 16.56 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.203 0 N-CA-C 112.566 0.58 . . . . 74.54 112.566 -171.81 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 51.2 t -147.95 66.46 9.59 Favored Pre-proline 0 C--O 1.235 0.298 0 N-CA-C 112.432 0.53 . . . . 72.12 112.432 -174.626 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 65.1 Cg_endo -92.39 148.46 2.93 Favored 'Trans proline' 0 N--CA 1.456 -0.733 0 C-N-CA 122.749 2.3 . . . . 74.45 110.53 167.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 60.3 t80 -60.2 -23.86 64.35 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 121.289 0.566 . . . . 65.44 110.418 178.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 17.7 p -142.05 106.39 4.81 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.609 -0.723 . . . . 62.44 110.206 178.706 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' ASN . . . . . 0.455 ' O ' ' HG2' ' A' ' 129' ' ' ARG . 16.4 m120 -66.88 -31.77 72.6 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 121.45 0.643 . . . . 73.42 109.452 173.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . 0.497 ' O ' HG23 ' A' ' 132' ' ' VAL . . . -64.77 -5.21 5.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.095 -0.957 . . . . 54.1 112.652 -176.61 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . 0.488 ' HA ' ' HB ' ' A' ' 132' ' ' VAL . 2.3 t -91.73 -5.68 53.23 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.606 0.717 . . . . 73.21 109.408 -167.174 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . 0.455 ' HG2' ' O ' ' A' ' 126' ' ' ASN . 1.6 ptm180 -120.98 -43.75 2.44 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.059 -0.973 . . . . 72.04 111.013 -176.217 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -78.47 -49.8 12.79 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-O 121.352 0.596 . . . . 71.52 111.099 175.204 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . 0.441 ' HB3' ' O ' ' A' ' 127' ' ' ALA . 0.2 OUTLIER -85.17 -40.17 17.01 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.208 -0.905 . . . . 72.12 111.135 -175.336 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . 0.497 HG23 ' O ' ' A' ' 127' ' ' ALA . 18.7 t -111.89 163.64 8.59 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.462 0 CA-C-N 116.149 -0.478 . . . . 70.22 110.578 -175.135 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . 0.426 ' N ' HG12 ' A' ' 132' ' ' VAL . . . -100.08 92.31 5.18 Favored 'General case' 0 C--O 1.243 0.717 0 CA-C-O 121.53 0.681 . . . . 45.42 111.997 -176.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . 0.764 HG22 ' HB ' ' A' ' 97' ' ' VAL . 79.3 t -109.15 121.7 62.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.316 -0.857 . . . . 75.02 110.319 172.005 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . 0.443 ' HD2' ' N ' ' A' ' 135' ' ' ARG . 1.2 mpt_? -86.3 108.02 18.23 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 108.85 -0.796 . . . . 72.41 108.85 177.799 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 59.9 mt -79.85 100.21 7.9 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.53 0.681 . . . . 50.04 110.263 178.217 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . 0.562 ' O ' ' HA ' ' A' ' 100' ' ' ARG . 0.1 OUTLIER -111.88 121.78 65.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 114.918 -1.037 . . . . 74.42 109.433 -177.504 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 5.4 m -97.85 138.92 21.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-O 121.394 0.616 . . . . 53.11 110.268 -175.315 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.308 -1.207 0 CA-C-N 115.15 -0.932 . . . . 73.13 110.856 -175.412 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.568 ' SD ' ' HB2' ' A' ' 96' ' ' ASP . 28.4 ptm . . . . . 0 C--O 1.235 0.299 0 CA-C-O 121.043 0.449 . . . . 72.42 110.843 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 2' ' ' ASN . . . . . 0.523 ' O ' ' HD2' ' A' ' 87' ' ' PRO . 40.4 t30 -97.14 86.08 3.86 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.688 -0.687 . . . . 61.35 109.717 -179.506 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . 0.533 HG21 ' HB2' ' B' ' 6' ' ' LYS . 33.8 mm -69.85 132.31 33.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.425 -0.807 . . . . 72.42 111.639 179.756 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.653 ' HG ' ' HD3' ' A' ' 87' ' ' PRO . 89.3 mt -90.73 -36.98 14.0 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.57 -0.741 . . . . 75.25 110.03 174.266 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 5' ' ' TYR . . . . . . . . . . . . . 14.4 t80 -143.07 130.25 20.83 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 116.126 -0.488 . . . . 75.45 110.502 -179.553 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . 0.533 ' HB2' HG21 ' B' ' 3' ' ' ILE . 31.6 ttmt -142.51 139.73 31.58 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-O 121.237 0.541 . . . . 65.01 111.411 174.378 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 10.0 t -137.5 147.37 45.19 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-N 115.358 -0.837 . . . . 72.52 109.738 177.407 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . 0.43 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . . . -111.56 141.23 45.41 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 121.079 0.466 . . . . 64.22 111.718 -175.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . 0.496 ' HA ' ' HA ' ' B' ' 21' ' ' SER . . . -131.62 117.98 19.44 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.856 -0.611 . . . . 31.45 110.385 178.017 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 65.9 m -99.7 115.86 30.45 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.267 -0.424 . . . . 64.31 110.121 -179.227 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 11' ' ' SER . . . . . 0.441 ' HA ' ' O ' ' B' ' 18' ' ' ARG . 23.1 p -106.31 113.44 26.97 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.147 0.498 . . . . 74.14 110.914 178.491 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . 0.551 ' HA ' HG23 ' A' ' 78' ' ' THR . 2.5 m -81.46 155.01 26.05 Favored 'General case' 0 C--O 1.245 0.86 0 CA-C-N 115.983 -0.553 . . . . 53.42 110.845 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -73.3 75.05 1.0 Allowed Glycine 0 N--CA 1.445 -0.701 0 CA-C-N 115.475 -0.784 . . . . 71.12 111.587 174.429 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -66.15 -151.34 0.13 Allowed Glycine 0 C--N 1.332 0.308 0 C-N-CA 121.292 -0.48 . . . . 73.4 111.953 174.07 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 50.9 mtt180 -70.88 -40.3 72.34 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 122.307 -0.525 . . . . 65.14 110.453 177.37 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 16' ' ' ASP . . . . . 0.517 ' HB3' ' HA ' ' B' ' 31' ' ' SER . 14.7 t70 -126.33 -43.24 1.78 Allowed 'General case' 0 N--CA 1.466 0.344 0 N-CA-C 109.786 -0.449 . . . . 65.33 109.786 168.583 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -167.82 146.45 10.6 Favored Glycine 0 C--N 1.34 0.805 0 C-N-CA 120.21 -0.995 . . . . 74.22 112.249 164.521 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 18' ' ' ARG . . . . . 0.441 ' O ' ' HA ' ' B' ' 11' ' ' SER . 0.0 OUTLIER -126.21 104.11 8.04 Favored 'General case' 0 C--O 1.222 -0.386 0 N-CA-C 108.98 -0.748 . . . . 74.4 108.98 178.308 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -102.34 123.61 46.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.764 0.316 . . . . 64.21 110.949 -173.461 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 20' ' ' THR . . . . . 0.408 HG23 ' O ' ' B' ' 26' ' ' LEU . 89.2 m -134.2 115.05 13.73 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.295 -0.412 . . . . 75.11 110.209 -178.021 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 21' ' ' SER . . . . . 0.596 ' HB3' ' N ' ' B' ' 26' ' ' LEU . 10.9 t -64.77 108.51 1.76 Allowed 'General case' 0 C--O 1.25 1.081 0 N-CA-C 107.985 -1.117 . . . . 74.21 107.985 175.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 22' ' ' HIS . . . . . 0.417 ' C ' ' H ' ' B' ' 24' ' ' GLN . 28.7 t-80 -55.82 -20.19 14.32 Favored 'General case' 0 C--N 1.347 0.476 0 O-C-N 126.48 2.363 . . . . 73.12 112.088 -170.772 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -80.36 14.43 1.98 Allowed 'General case' 0 C--N 1.316 -0.87 0 N-CA-C 109.477 -0.564 . . . . 63.54 109.477 179.03 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . 0.417 ' H ' ' C ' ' B' ' 22' ' ' HIS . 26.6 mm-40 66.16 24.07 10.87 Favored 'General case' 0 CA--C 1.517 -0.32 0 CA-C-N 114.963 -1.017 . . . . 71.43 109.366 178.336 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 24.4 mtmm -93.86 -23.9 17.95 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 114.891 -1.05 . . . . 41.25 111.422 -179.396 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . 0.596 ' N ' ' HB3' ' B' ' 21' ' ' SER . 42.6 tp -148.57 146.73 28.4 Favored 'General case' 0 CA--C 1.5 -0.961 0 C-N-CA 119.018 -1.073 . . . . 71.52 111.963 -178.156 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -150.65 98.24 2.6 Favored 'General case' 0 N--CA 1.443 -0.814 0 CA-C-N 114.956 -1.02 . . . . 53.33 109.653 178.508 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 3.0 m -143.86 178.2 1.92 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.39 0 CA-C-O 121.387 0.613 . . . . 74.12 111.471 178.315 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.685 ' HE3' ' HG3' ' B' ' 42' ' ' GLU . 0.3 OUTLIER -146.68 141.27 26.66 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.29 -0.868 . . . . 64.31 109.621 -178.939 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . 0.743 ' HA ' ' H ' ' B' ' 44' ' ' THR . 0.0 OUTLIER -126.48 164.88 20.17 Favored 'General case' 0 C--O 1.254 1.304 0 CA-C-O 121.183 0.516 . . . . 72.32 111.231 -176.916 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . 0.517 ' HA ' ' HB3' ' B' ' 16' ' ' ASP . 38.2 p -156.43 130.87 8.77 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 114.607 -1.179 . . . . 62.35 111.265 -177.68 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.74 141.73 98.38 Favored Pre-proline 0 C--O 1.241 0.609 0 CA-C-N 116.039 -0.528 . . . . 75.13 111.202 178.722 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 33' ' ' PRO . . . . . 0.437 ' HG2' HD12 ' B' ' 36' ' ' LEU . 12.3 Cg_endo -55.04 125.89 20.71 Favored 'Trans proline' 0 C--N 1.351 0.688 0 C-N-CA 122.85 2.367 . . . . 71.3 111.595 179.407 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 34' ' ' ARG . . . . . 0.723 ' HB2' ' HA3' ' B' ' 40' ' ' GLY . 6.5 tpt180 -65.62 -20.72 66.42 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.314 -0.403 . . . . 71.43 110.556 -175.159 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 10.7 mp0 -53.04 -31.49 41.67 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 115.545 -0.752 . . . . 72.42 110.871 178.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.437 HD12 ' HG2' ' B' ' 33' ' ' PRO . 37.5 mt -103.28 11.27 37.0 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.728 -0.669 . . . . 63.52 111.079 -174.599 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 90.37 22.04 35.98 Favored Glycine 0 N--CA 1.452 -0.241 0 CA-C-N 115.865 -0.607 . . . . 51.22 112.408 -177.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -84.77 -130.35 2.11 Favored Glycine 0 C--N 1.336 0.534 0 C-N-CA 121.187 -0.53 . . . . 64.12 112.302 -178.484 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -114.58 -26.71 7.78 Favored 'General case' 0 N--CA 1.465 0.28 0 N-CA-C 111.808 0.299 . . . . 71.25 111.808 -177.1 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 40' ' ' GLY . . . . . 0.723 ' HA3' ' HB2' ' B' ' 34' ' ' ARG . . . 46.51 40.38 11.25 Favored Glycine 0 C--N 1.336 0.569 0 O-C-N 123.409 0.443 . . . . 53.13 113.474 -174.879 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -90.76 -171.91 3.2 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.974 0.416 . . . . 45.11 111.021 -177.619 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . 0.685 ' HG3' ' HE3' ' B' ' 29' ' ' LYS . 12.0 pt-20 -80.28 32.18 0.28 Allowed 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 115.86 -0.609 . . . . 74.14 111.492 -177.796 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -112.03 -171.98 18.91 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 121.135 -0.555 . . . . 72.12 112.435 -177.583 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 44' ' ' THR . . . . . 0.743 ' H ' ' HA ' ' B' ' 30' ' ' LEU . 33.7 m -99.42 143.56 29.52 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 110.327 -0.249 . . . . 35.03 110.327 -179.864 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 45' ' ' ASN . . . . . 0.498 ' HB2' ' HB3' ' B' ' 48' ' ' GLN . 2.1 m-20 -63.43 135.28 96.18 Favored Pre-proline 0 C--N 1.325 -0.468 0 N-CA-C 110.177 -0.305 . . . . 71.14 110.177 175.341 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 46' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -59.15 -50.34 8.92 Favored 'Trans proline' 0 C--O 1.237 0.474 0 C-N-CA 122.768 2.312 . . . . 54.41 112.021 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 7.0 pm0 -65.74 -33.03 74.92 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.221 -0.445 . . . . 73.03 110.369 -177.758 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . 0.498 ' HB3' ' HB2' ' B' ' 45' ' ' ASN . 24.8 tt0 -70.27 -39.8 74.72 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.712 -0.676 . . . . 65.22 110.52 177.749 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -63.15 -50.68 69.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.547 -0.751 . . . . 73.15 109.775 -179.363 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 39.0 t80 -62.58 -45.42 93.0 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.824 -0.625 . . . . 74.53 110.851 178.521 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . 0.559 ' HB2' HG11 ' B' ' 83' ' ' VAL . . . -51.66 -53.17 41.71 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.467 -0.333 . . . . 63.22 111.197 177.266 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 52' ' ' ALA . . . . . 0.515 ' HB1' ' HB1' ' A' ' 19' ' ' ALA . . . -63.54 -39.31 94.08 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 115.742 -0.663 . . . . 74.31 110.829 -178.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . 0.446 ' HA3' HD12 ' A' ' 49' ' ' LEU . . . -67.65 -33.73 81.63 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 121.132 -0.556 . . . . 73.22 112.282 178.841 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -72.64 -49.23 33.22 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.891 -0.411 . . . . 73.14 109.891 -179.31 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 55' ' ' SER . . . . . 0.436 ' HB3' ' HB2' ' B' ' 81' ' ' ALA . 45.8 p -63.19 -45.98 89.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.923 0.392 . . . . 71.55 110.572 -179.834 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 56' ' ' ALA . . . . . 0.545 ' HB1' HD21 ' A' ' 30' ' ' LEU . . . -62.62 -42.23 99.46 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.03 -0.532 . . . . 72.32 110.689 178.123 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 57' ' ' CYS . . . . . . . . . . . . . 52.0 t -62.93 -36.64 84.08 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.267 -0.424 . . . . 72.4 109.974 176.653 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 23.1 t80 -63.74 -31.18 72.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.827 -0.624 . . . . 52.32 110.115 -178.046 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 95.6 mt -64.8 -56.58 12.65 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 116.043 -0.526 . . . . 64.41 110.32 176.344 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 60' ' ' SER . . . . . 0.419 ' O ' ' HB3' ' B' ' 63' ' ' LYS . 21.8 t -61.2 -37.45 83.01 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 115.808 -0.633 . . . . 73.23 110.191 -179.847 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . 0.448 ' O ' HG23 ' B' ' 65' ' ' VAL . . . -64.77 -43.02 94.61 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 115.921 -0.581 . . . . 44.1 110.027 177.385 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 62' ' ' MET . . . . . 0.528 ' HG3' HD11 ' B' ' 73' ' ' LEU . 3.4 tpt -61.15 -36.91 81.05 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 115.797 -0.638 . . . . 71.0 109.707 177.872 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . 0.419 ' HB3' ' O ' ' B' ' 60' ' ' SER . 22.7 tptp -60.04 -51.95 67.47 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 115.648 -0.705 . . . . 72.03 110.232 175.036 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 81.9 t80 -60.42 -41.57 94.21 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 116.163 -0.471 . . . . 73.11 110.538 179.576 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . 0.448 HG23 ' O ' ' B' ' 61' ' ' ALA . 55.4 t -59.17 -46.93 91.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.027 -0.533 . . . . 75.05 110.492 178.247 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -57.31 -30.86 65.1 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.157 -0.474 . . . . 74.13 110.558 179.556 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -71.94 -28.44 68.7 Favored Glycine 0 N--CA 1.45 -0.393 0 CA-C-N 115.515 -0.766 . . . . 75.04 112.475 -178.438 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 68' ' ' GLN . . . . . 0.417 ' HG3' HD22 ' B' ' 69' ' ' ASN . 9.3 pt20 -99.02 -13.3 19.94 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.361 0.6 . . . . 64.5 109.539 179.546 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 69' ' ' ASN . . . . . 0.417 HD22 ' HG3' ' B' ' 68' ' ' GLN . 0.9 OUTLIER -96.67 -5.25 39.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.416 -0.811 . . . . 65.21 110.681 177.363 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 56.43 39.64 29.94 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-O 121.488 0.661 . . . . 73.12 110.85 176.705 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -121.84 169.61 10.6 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 114.875 -1.057 . . . . 74.24 110.22 178.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 17.0 p -119.25 137.32 53.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.373 -0.376 . . . . 74.12 110.859 -178.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . 0.528 HD11 ' HG3' ' B' ' 62' ' ' MET . 81.3 mt -109.6 138.07 20.51 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.348 -0.387 . . . . 75.15 110.784 179.1 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 74' ' ' PRO . . . . . 0.69 ' HD2' HD11 ' B' ' 103' ' ' LEU . 21.8 Cg_exo -67.16 142.4 60.91 Favored 'Trans proline' 0 C--N 1.348 0.535 0 C-N-CA 122.907 2.404 . . . . 62.01 111.826 175.185 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -77.21 -19.59 56.47 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.359 0.503 . . . . 71.53 112.359 -176.047 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -81.29 9.78 6.55 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-O 121.141 0.496 . . . . 60.22 111.601 -175.727 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 77' ' ' THR . . . . . 0.476 ' HB ' HD12 ' B' ' 103' ' ' LEU . 9.8 t -77.1 159.7 29.61 Favored 'General case' 0 CA--C 1.537 0.449 0 N-CA-C 112.349 0.5 . . . . 73.25 112.349 -174.837 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 34.1 m -155.87 153.04 29.08 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 115.646 -0.707 . . . . 71.23 109.683 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 82.6 t -131.4 128.09 60.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 N-CA-C 109.343 -0.614 . . . . 54.24 109.343 174.465 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 80' ' ' THR . . . . . 0.567 ' HA ' ' HA ' ' A' ' 10' ' ' THR . 28.0 m -110.53 116.02 30.65 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.753 0.311 . . . . 72.42 110.782 -178.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 81' ' ' ALA . . . . . 0.436 ' HB2' ' HB3' ' B' ' 55' ' ' SER . . . -93.4 105.28 17.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 73.43 110.225 178.755 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -99.71 107.9 20.1 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.086 -0.709 . . . . 71.23 109.086 178.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . 0.559 HG11 ' HB2' ' B' ' 51' ' ' ALA . 18.8 m -109.67 139.6 32.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 120.89 0.376 . . . . 71.44 111.479 -174.256 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 84' ' ' GLY . . . . . . . . . . . . . . . -132.52 152.1 20.14 Favored Glycine 0 N--CA 1.442 -0.959 0 N-CA-C 110.954 -0.858 . . . . 52.45 110.954 175.738 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -132.24 129.25 59.66 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.859 0 N-CA-C 109.276 -0.638 . . . . 73.1 109.276 -179.52 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 86' ' ' GLY . . . . . 0.486 ' HA2' ' HG ' ' A' ' 4' ' ' LEU . . . -142.16 169.84 25.22 Favored Glycine 0 N--CA 1.451 -0.331 0 O-C-N 124.083 0.864 . . . . 52.3 111.155 -178.341 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 87' ' ' PRO . . . . . 0.64 ' HD3' ' HG ' ' A' ' 4' ' ' LEU . 15.4 Cg_endo -88.75 129.56 2.14 Favored 'Trans proline' 0 N--CA 1.451 -1.025 0 C-N-CA 122.72 2.28 . . . . 61.3 112.598 -176.024 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 88' ' ' ASN . . . . . . . . . . . . . 52.3 t-20 -70.25 140.29 52.35 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.039 -0.982 . . . . 72.3 108.418 173.309 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -61.36 -19.17 61.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.889 0.376 . . . . 65.22 111.016 -177.567 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -71.08 -18.79 62.53 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 115.938 -0.574 . . . . 74.05 111.178 178.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.72 35.53 3.24 Favored Glycine 0 C--O 1.235 0.173 0 CA-C-N 116.01 -0.541 . . . . 72.2 112.614 -179.392 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . -135.19 -170.62 12.19 Favored Glycine 0 N--CA 1.452 -0.286 0 N-CA-C 111.063 -0.815 . . . . 70.13 111.063 175.494 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 93' ' ' PHE . . . . . . . . . . . . . 59.2 m-85 -103.29 151.53 22.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 117.13 0.465 . . . . 73.12 110.379 177.199 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -138.59 131.4 29.42 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.916 -0.583 . . . . 62.21 110.001 -177.655 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -101.71 125.67 48.42 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.084 -0.507 . . . . 74.21 111.002 -178.572 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 96' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -114.78 110.54 19.86 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.31 -0.859 . . . . 73.53 109.317 175.547 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 97' ' ' VAL . . . . . 0.495 HG13 HG13 ' B' ' 134' ' ' VAL . 1.5 p -114.52 117.34 55.3 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 CA-C-O 121.695 0.759 . . . . 65.34 111.231 -176.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -100.56 110.55 22.71 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 114.742 -1.117 . . . . 74.42 109.34 -179.504 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 89.9 mt -94.04 109.8 21.53 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.836 -0.431 . . . . 61.12 109.836 -179.169 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 100' ' ' ARG . . . . . 0.585 ' HA ' ' O ' ' B' ' 137' ' ' VAL . 42.4 ttt180 -99.32 109.58 22.19 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.455 -0.793 . . . . 64.11 109.761 -174.203 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 101' ' ' VAL . . . . . 0.424 HG21 HG22 ' B' ' 115' ' ' VAL . 73.5 t -95.94 112.21 27.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 115.73 -0.668 . . . . 60.12 111.448 -173.129 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 102' ' ' ALA . . . . . 0.513 ' HA ' ' HB3' ' B' ' 139' ' ' ALA . . . -107.74 101.49 10.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.938 0.399 . . . . 53.32 110.463 178.351 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 103' ' ' LEU . . . . . 0.739 HD23 HD22 ' B' ' 106' ' ' LEU . 29.0 tp -118.48 119.21 33.13 Favored Pre-proline 0 C--N 1.326 -0.441 0 N-CA-C 108.737 -0.838 . . . . 72.24 108.737 177.168 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 104' ' ' PRO . . . . . 0.537 ' HG2' ' HB2' ' B' ' 74' ' ' PRO . 39.6 Cg_endo -67.54 144.52 67.1 Favored 'Trans proline' 0 N--CA 1.462 -0.361 0 C-N-CA 122.59 2.193 . . . . 74.24 112.527 -176.227 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 105' ' ' GLY . . . . . . . . . . . . . . . 70.47 13.78 71.38 Favored Glycine 0 CA--C 1.521 0.434 0 CA-C-N 115.27 -0.877 . . . . 72.34 112.865 -178.174 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 106' ' ' LEU . . . . . 0.739 HD22 HD23 ' B' ' 103' ' ' LEU . 38.5 tp -112.96 139.43 48.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.86 0.362 . . . . 60.53 110.831 -177.628 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 107' ' ' ASP . . . . . 0.409 ' HB3' ' H ' ' B' ' 110' ' ' ALA . 1.8 t70 -77.46 166.67 22.8 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 115.928 -0.578 . . . . 63.12 110.584 -179.816 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -68.98 -44.53 72.67 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.407 -0.815 . . . . 34.32 110.142 170.728 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -64.73 -46.51 81.95 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.666 -0.697 . . . . 64.51 110.603 -177.293 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 110' ' ' ALA . . . . . 0.535 ' O ' ' HG ' ' B' ' 114' ' ' LEU . . . -68.7 -43.71 75.48 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.707 -0.679 . . . . 72.03 109.731 179.255 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 111' ' ' ALA . . . . . 0.561 ' O ' HG23 ' B' ' 115' ' ' VAL . . . -54.59 -43.24 71.97 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.124 -0.489 . . . . 64.14 111.079 178.371 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 112' ' ' LYS . . . . . . . . . . . . . 30.8 mmtm -51.02 -49.34 60.66 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 116.18 -0.464 . . . . 74.45 110.929 -179.573 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 113' ' ' THR . . . . . 0.513 HG22 ' O ' ' B' ' 110' ' ' ALA . 2.8 t -74.88 -37.41 62.17 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 116.27 -0.423 . . . . 72.03 110.821 -175.868 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 114' ' ' LEU . . . . . 0.535 ' HG ' ' O ' ' B' ' 110' ' ' ALA . 30.9 mt -61.52 -44.52 96.9 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.188 -0.46 . . . . 70.23 110.978 -178.218 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 115' ' ' VAL . . . . . 0.561 HG23 ' O ' ' B' ' 111' ' ' ALA . 48.7 t -63.4 -41.58 93.24 Favored 'Isoleucine or valine' 0 C--O 1.243 0.722 0 CA-C-O 121.312 0.577 . . . . 63.55 110.164 178.279 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -54.93 -60.15 3.76 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 115.032 -0.985 . . . . 75.43 110.224 -179.762 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 117' ' ' ARG . . . . . 0.504 ' O ' ' HB3' ' B' ' 120' ' ' HIS . 14.1 ptm180 -66.07 -33.99 77.04 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.527 -0.76 . . . . 70.2 111.032 -177.357 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -58.59 -40.23 82.59 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.827 -0.624 . . . . 61.11 110.655 177.226 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 33.2 m-70 -73.55 -6.32 45.8 Favored 'General case' 0 N--CA 1.466 0.344 0 N-CA-C 112.288 0.477 . . . . 74.31 112.288 178.629 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 120' ' ' HIS . . . . . 0.504 ' HB3' ' O ' ' B' ' 117' ' ' ARG . 19.0 t-80 -72.29 -26.26 61.9 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 120.795 0.331 . . . . 61.52 110.507 175.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 27.6 m -113.64 21.1 6.39 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.31 0 CA-C-N 116.117 -0.492 . . . . 63.42 110.711 -179.734 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 122' ' ' CYS . . . . . 0.412 ' HA ' ' HD3' ' B' ' 123' ' ' PRO . 39.9 t -65.26 129.16 94.34 Favored Pre-proline 0 CA--C 1.534 0.339 0 CA-C-N 115.712 -0.677 . . . . 74.53 111.204 -177.148 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 123' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' B' ' 122' ' ' CYS . 50.2 Cg_exo -56.35 -50.19 12.78 Favored 'Trans proline' 0 C--N 1.356 0.97 0 C-N-CA 122.758 2.305 . . . . 65.25 111.946 178.863 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 124' ' ' TYR . . . . . 0.612 ' HB3' HG21 ' B' ' 128' ' ' THR . 55.9 m-85 -67.27 113.78 5.45 Favored 'General case' 0 CA--C 1.532 0.269 0 N-CA-C 107.971 -1.122 . . . . 65.35 107.971 175.549 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 125' ' ' SER . . . . . 0.543 ' O ' HG22 ' B' ' 128' ' ' THR . 21.7 m -64.32 -175.21 0.15 Allowed 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 114.956 1.465 . . . . 64.23 114.956 -161.021 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 126' ' ' ASN . . . . . . . . . . . . . 31.7 m-20 -63.19 -50.24 71.11 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 114.596 -1.184 . . . . 74.24 111.425 -169.47 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 127' ' ' ALA . . . . . 0.473 ' HB3' ' CB ' ' A' ' 127' ' ' ALA . . . -66.29 2.5 1.19 Allowed 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.706 -0.679 . . . . 65.3 112.268 -175.385 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 128' ' ' THR . . . . . 0.612 HG21 ' HB3' ' B' ' 124' ' ' TYR . 0.6 OUTLIER -110.98 -13.18 14.14 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-O 120.808 0.337 . . . . 55.14 110.418 -179.867 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 129' ' ' ARG . . . . . . . . . . . . . 19.3 ptt85 -117.88 -41.9 2.87 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 121.14 0.495 . . . . 75.21 110.823 -178.15 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 130' ' ' ASN . . . . . . . . . . . . . 15.9 m120 -77.73 -49.68 13.94 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.698 -0.683 . . . . 74.14 110.545 178.482 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 131' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -72.81 -43.95 62.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 75.43 111.01 -177.429 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 132' ' ' VAL . . . . . . . . . . . . . 55.7 t -82.11 148.11 5.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.973 -0.558 . . . . 52.13 109.583 177.695 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 133' ' ' ALA . . . . . . . . . . . . . . . -77.24 87.31 3.67 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.414 0.626 . . . . 72.23 111.311 -176.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 134' ' ' VAL . . . . . 0.495 HG13 HG13 ' B' ' 97' ' ' VAL . 11.3 t -103.98 112.75 38.72 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.654 0 CA-C-N 115.482 -0.781 . . . . 61.1 110.255 172.576 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 3.8 mpt_? -88.73 122.48 32.19 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.017 -0.538 . . . . 74.32 110.252 177.293 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 85.0 mt -88.81 117.01 27.5 Favored 'General case' 0 N--CA 1.447 -0.615 0 CA-C-N 116.063 -0.517 . . . . 72.41 109.963 176.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 137' ' ' VAL . . . . . 0.585 ' O ' ' HA ' ' B' ' 100' ' ' ARG . 0.6 OUTLIER -126.66 124.32 64.85 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-N 115.337 -0.847 . . . . 72.22 109.792 -177.48 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 138' ' ' VAL . . . . . . . . . . . . . 2.3 m -90.9 137.7 21.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 N-CA-C 108.943 -0.762 . . . . 70.52 108.943 -179.694 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 139' ' ' ALA . . . . . 0.513 ' HB3' ' HA ' ' B' ' 102' ' ' ALA . . . . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.663 -0.684 . . . . 71.35 111.418 -171.265 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.5 ptm . . . . . 0 N--CA 1.482 1.141 0 N-CA-C 110.232 -0.284 . . . . 71.43 110.232 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.48 ' O ' ' HD2' ' B' ' 87' ' ' PRO . 48.2 t30 -99.42 82.51 2.68 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.286 -0.416 . . . . 75.52 110.008 -179.454 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.508 HG21 ' HB2' ' A' ' 6' ' ' LYS . 32.4 mm -65.32 116.17 4.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 121.092 0.472 . . . . 51.02 111.417 178.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.656 ' HG ' ' HD3' ' B' ' 87' ' ' PRO . 85.7 mt -81.43 -37.36 28.21 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.337 -0.847 . . . . 74.21 109.891 177.333 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 28.0 t80 -141.86 134.49 28.37 Favored 'General case' 0 C--O 1.222 -0.36 0 CA-C-N 115.972 -0.558 . . . . 54.43 110.119 -179.567 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.508 ' HB2' HG21 ' A' ' 3' ' ' ILE . 28.5 ttmt -143.34 141.92 31.12 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.192 0.52 . . . . 62.42 110.944 174.594 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.4 HG21 ' HB2' ' B' ' 48' ' ' GLN . 7.7 t -144.0 166.59 24.53 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 114.99 -1.004 . . . . 73.02 109.369 178.151 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.41 ' HA ' ' HA ' ' B' ' 82' ' ' GLU . . . -131.61 146.77 52.37 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 120.996 0.427 . . . . 64.34 111.798 -175.023 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -138.67 124.64 20.0 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.978 -0.555 . . . . 65.14 110.239 176.63 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.548 ' HA ' ' HA ' ' B' ' 80' ' ' THR . 15.3 t -107.17 142.21 37.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.939 0.399 . . . . 73.43 110.287 -178.873 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 41.8 p -124.84 113.56 18.06 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.167 -0.47 . . . . 71.32 110.345 -178.617 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.597 ' HA ' HG22 ' B' ' 78' ' ' THR . 3.1 m -88.8 156.91 18.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.047 -0.524 . . . . 72.12 111.286 -177.598 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -76.31 73.82 1.76 Allowed Glycine 0 N--CA 1.45 -0.385 0 CA-C-N 116.098 -0.501 . . . . 62.44 111.898 173.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -71.44 -144.97 0.38 Allowed Glycine 0 CA--C 1.521 0.445 0 C-N-CA 121.353 -0.451 . . . . 62.02 112.401 177.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 5.9 tpp180 -54.05 -49.24 69.43 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-O 120.946 0.403 . . . . 73.04 109.95 179.384 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.525 ' HB3' ' HA ' ' A' ' 31' ' ' SER . 29.2 t70 -125.71 -42.56 1.92 Allowed 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 108.74 -0.837 . . . . 74.22 108.74 167.305 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -166.05 165.57 38.2 Favored Glycine 0 N--CA 1.446 -0.672 0 C-N-CA 120.813 -0.708 . . . . 73.12 112.084 167.276 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.522 ' HA ' ' HA ' ' A' ' 29' ' ' LYS . 43.9 mtt-85 -122.04 171.24 9.11 Favored 'General case' 0 C--N 1.321 -0.645 0 C-N-CA 122.824 0.45 . . . . 73.24 109.881 174.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -153.87 123.56 6.72 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 108.943 -0.762 . . . . 71.12 108.943 171.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 32.4 m -140.31 114.24 8.94 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-O 120.693 0.282 . . . . 63.53 110.583 -176.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.514 ' HB3' ' N ' ' A' ' 26' ' ' LEU . 29.1 t -71.61 109.45 5.55 Favored 'General case' 0 C--O 1.248 1.003 0 N-CA-C 107.866 -1.161 . . . . 62.3 107.866 174.849 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.46 ' C ' ' H ' ' A' ' 24' ' ' GLN . 49.8 t-80 -56.78 -21.62 29.94 Favored 'General case' 0 N--CA 1.472 0.656 0 O-C-N 125.982 2.051 . . . . 71.44 112.418 -168.471 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.486 ' HB2' ' HG2' ' A' ' 25' ' ' LYS . 1.3 m-20 -79.91 19.81 0.67 Allowed 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 109.283 -0.636 . . . . 73.43 109.283 178.026 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.46 ' H ' ' C ' ' A' ' 22' ' ' HIS . 25.6 mm-40 64.4 20.61 12.23 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 115.335 -0.848 . . . . 72.53 109.999 177.422 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.486 ' HG2' ' HB2' ' A' ' 23' ' ' ASP . 32.0 mmtp -81.97 -35.88 28.52 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 115.088 -0.96 . . . . 73.44 110.034 -179.404 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.514 ' N ' ' HB3' ' A' ' 21' ' ' SER . 54.1 tp -143.57 145.82 32.82 Favored 'General case' 0 CA--C 1.51 -0.589 0 C-N-CA 120.011 -0.675 . . . . 74.42 111.96 -172.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -155.42 91.4 1.32 Allowed 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 114.733 -1.121 . . . . 74.13 110.156 -178.084 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 5.0 m -139.62 178.13 3.91 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.386 0 CA-C-N 115.949 -0.568 . . . . 62.12 111.697 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.522 ' HA ' ' HA ' ' A' ' 18' ' ' ARG . 4.8 ttpp -137.83 144.2 41.36 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.279 -0.873 . . . . 62.42 110.15 -178.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.678 ' HA ' ' H ' ' A' ' 44' ' ' THR . 0.0 OUTLIER -126.42 162.62 25.14 Favored 'General case' 0 C--O 1.251 1.15 0 CA-C-O 121.045 0.45 . . . . 64.12 110.959 179.362 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.525 ' HA ' ' HB3' ' A' ' 16' ' ' ASP . 30.9 p -171.07 146.02 2.37 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 115.221 -0.9 . . . . 75.34 110.955 -173.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -76.75 125.58 86.98 Favored Pre-proline 0 C--O 1.24 0.568 0 CA-C-N 116.087 -0.506 . . . . 52.21 110.943 -179.434 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -58.88 147.37 89.53 Favored 'Trans proline' 0 C--N 1.35 0.615 0 C-N-CA 122.733 2.289 . . . . 73.33 111.348 176.241 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 30.6 tpt180 -68.78 -16.7 63.87 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.324 -0.398 . . . . 50.12 110.917 -175.122 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -51.69 -37.36 50.37 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 116.126 -0.488 . . . . 75.14 111.116 178.704 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 54.4 mt -102.23 22.25 13.61 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.881 -0.6 . . . . 63.44 110.625 -176.061 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 79.08 25.69 59.27 Favored Glycine 0 N--CA 1.452 -0.252 0 CA-C-N 115.85 -0.613 . . . . 72.22 111.793 -177.502 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -81.1 -128.99 0.92 Allowed Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 121.156 -0.545 . . . . 73.44 111.841 -178.83 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -128.61 -7.1 5.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 122.65 -0.324 . . . . 63.22 111.412 -179.354 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 59.11 26.63 61.43 Favored Glycine 0 C--N 1.329 0.144 0 C-N-CA 121.13 -0.557 . . . . 45.53 112.687 -178.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -79.9 147.27 31.74 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 110.513 -0.18 . . . . 44.21 110.513 -179.771 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -68.83 87.33 0.35 Allowed 'General case' 0 C--O 1.236 0.362 0 CA-C-O 122.157 0.98 . . . . 71.23 110.337 177.742 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -140.26 -144.19 4.45 Favored Glycine 0 C--N 1.311 -0.839 0 CA-C-N 114.353 -1.294 . . . . 55.55 111.604 174.413 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.678 ' H ' ' HA ' ' A' ' 30' ' ' LEU . 85.9 m -143.96 159.88 41.81 Favored 'General case' 0 N--CA 1.444 -0.728 0 N-CA-C 109.815 -0.439 . . . . 74.01 109.815 -179.72 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 44.3 m-20 -91.43 124.88 59.82 Favored Pre-proline 0 C--O 1.236 0.378 0 N-CA-C 109.895 -0.409 . . . . 72.33 109.895 173.148 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -55.21 -34.35 87.68 Favored 'Trans proline' 0 C--N 1.349 0.566 0 C-N-CA 122.786 2.324 . . . . 63.04 112.277 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -58.37 -42.87 87.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.888 -0.597 . . . . 62.13 110.736 179.762 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -65.22 -37.67 87.99 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.943 -0.572 . . . . 72.35 109.706 177.451 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.565 HD12 ' HA3' ' B' ' 53' ' ' GLY . 3.4 tm? -62.4 -48.42 79.79 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 115.469 -0.787 . . . . 71.11 109.979 -178.869 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 62.9 t80 -63.24 -47.08 83.98 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 116.228 -0.442 . . . . 64.45 110.452 177.363 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.419 ' HB2' HG11 ' A' ' 83' ' ' VAL . . . -54.4 -53.11 58.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.946 -0.57 . . . . 52.03 111.65 179.005 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.553 ' HB1' ' HB1' ' B' ' 19' ' ' ALA . . . -65.09 -46.26 81.83 Favored 'General case' 0 C--O 1.237 0.444 0 CA-C-O 121.133 0.492 . . . . 51.43 110.521 -177.866 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.506 ' HA3' HD12 ' B' ' 49' ' ' LEU . . . -60.71 -45.19 96.89 Favored Glycine 0 N--CA 1.447 -0.617 0 CA-C-N 115.486 -0.779 . . . . 45.35 112.612 -179.041 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 7.2 t80 -72.83 -39.53 66.52 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.54 0.17 . . . . 71.4 111.032 -177.691 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.462 ' HB3' ' HB2' ' A' ' 81' ' ' ALA . 61.3 p -62.92 -43.49 98.64 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.882 0.373 . . . . 50.31 110.261 179.708 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.505 ' HB1' HD21 ' B' ' 30' ' ' LEU . . . -70.63 -44.36 67.33 Favored 'General case' 0 CA--C 1.528 0.126 0 CA-C-N 116.021 -0.536 . . . . 72.41 110.442 176.708 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.441 ' SG ' ' HB3' ' B' ' 46' ' ' PRO . 42.5 t -56.43 -35.85 68.31 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 115.84 -0.618 . . . . 74.4 110.455 177.604 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 19.0 t80 -55.59 -31.57 62.34 Favored 'General case' 0 CA--C 1.529 0.135 0 CA-C-N 115.804 -0.635 . . . . 64.12 110.315 -178.311 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 63.4 tp -67.84 -48.5 66.0 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.182 -0.463 . . . . 74.12 110.066 176.617 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.466 ' O ' ' HB3' ' A' ' 63' ' ' LYS . 2.9 m -60.67 -40.59 92.67 Favored 'General case' 0 C--O 1.24 0.567 0 CA-C-O 121.388 0.613 . . . . 74.4 110.167 178.801 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.4 ' O ' HG23 ' A' ' 65' ' ' VAL . . . -62.13 -49.99 73.67 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.656 -0.702 . . . . 64.15 109.92 177.309 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 82.3 mmm -67.55 -20.49 65.41 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.771 -0.65 . . . . 61.32 111.016 178.191 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.466 ' HB3' ' O ' ' A' ' 60' ' ' SER . 7.1 tmtm? -68.06 -48.99 64.07 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 108.841 -0.8 . . . . 62.32 108.841 173.666 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 60.7 t80 -62.51 -40.99 98.5 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 115.888 -0.597 . . . . 70.35 110.246 175.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.4 HG23 ' O ' ' A' ' 61' ' ' ALA . 53.2 t -61.92 -50.38 80.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.017 -0.538 . . . . 51.41 110.744 178.233 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.407 ' HA ' ' HG3' ' A' ' 71' ' ' GLN . . . -56.89 -31.86 65.29 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.985 0.421 . . . . 55.45 110.478 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -68.16 -33.49 78.61 Favored Glycine 0 CA--C 1.517 0.181 0 CA-C-N 115.364 -0.835 . . . . 65.01 112.32 -177.727 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 9.5 pt20 -94.37 -19.15 20.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.208 0.528 . . . . 73.33 109.626 -178.39 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 16.0 m-80 -93.76 2.59 56.21 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.395 -0.82 . . . . 73.35 110.751 -179.192 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 22.5 mmtm 63.0 28.3 16.2 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 115.385 -0.825 . . . . 70.5 111.119 172.019 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.407 ' HG3' ' HA ' ' A' ' 66' ' ' ALA . 2.9 pt20 -122.06 168.61 11.74 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.064 -0.516 . . . . 65.11 110.782 -177.681 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 15.9 p -124.89 142.33 51.52 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.78 -0.645 . . . . 71.13 110.171 178.18 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 95.3 mt -109.22 141.38 23.36 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.407 -0.36 . . . . 63.13 110.304 -179.503 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.437 ' O ' HG22 ' A' ' 77' ' ' THR . 33.0 Cg_endo -64.52 121.75 9.42 Favored 'Trans proline' 0 C--N 1.348 0.548 0 C-N-CA 122.62 2.213 . . . . 75.32 111.967 179.113 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -77.1 1.62 17.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.929 0.395 . . . . 74.43 111.774 -177.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -90.9 0.43 57.5 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.314 0.578 . . . . 72.44 110.637 -179.102 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.558 ' HA ' ' HD3' ' A' ' 104' ' ' PRO . 4.2 t -69.65 160.5 31.47 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.593 -0.73 . . . . 73.42 112.493 -174.215 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 27.7 m -143.26 149.3 37.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 114.882 -1.054 . . . . 65.01 109.407 177.527 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 60.1 t -129.31 149.65 33.87 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 N-CA-C 109.095 -0.705 . . . . 73.54 109.095 179.697 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 48.0 m -135.74 111.87 9.67 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.989 0.423 . . . . 61.0 110.54 172.128 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.462 ' HB2' ' HB3' ' A' ' 55' ' ' SER . . . -93.07 108.89 20.38 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.413 -0.588 . . . . 75.0 109.413 176.475 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.484 ' HG2' ' HD3' ' B' ' 6' ' ' LYS . 41.0 tt0 -109.94 107.62 17.6 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.803 -0.444 . . . . 74.0 109.803 -176.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.615 HG12 HG13 ' A' ' 97' ' ' VAL . 30.0 m -108.89 145.79 15.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.834 0.35 . . . . 74.25 110.99 -176.388 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.483 ' HA2' ' HA ' ' B' ' 6' ' ' LYS . . . -139.28 163.71 25.99 Favored Glycine 0 N--CA 1.446 -0.691 0 C-N-CA 121.274 -0.489 . . . . 64.22 112.014 -179.621 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -135.84 130.75 49.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 N-CA-C 108.916 -0.772 . . . . 71.32 108.916 179.496 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -151.7 169.76 31.17 Favored Glycine 0 N--CA 1.453 -0.183 0 CA-C-N 115.459 -0.791 . . . . 64.2 111.463 -179.456 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.734 ' HD3' ' HG ' ' B' ' 4' ' ' LEU . 6.3 Cg_exo -77.44 121.23 5.54 Favored 'Trans proline' 0 N--CA 1.46 -0.489 0 C-N-CA 122.865 2.376 . . . . 75.13 111.939 -178.578 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . 0.542 ' HB2' ' HB2' ' A' ' 94' ' ' ALA . 24.9 t-20 -74.09 151.82 40.05 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.136 -0.483 . . . . 63.43 109.783 177.733 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -60.56 -13.56 14.86 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 116.343 -0.389 . . . . 74.31 111.766 -178.587 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -68.99 -27.31 65.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.068 0.461 . . . . 62.35 111.111 176.346 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.03 35.25 3.48 Favored Glycine 0 N--CA 1.454 -0.146 0 N-CA-C 111.16 -0.776 . . . . 52.42 111.16 -172.768 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . 0.459 ' O ' ' HA ' ' A' ' 87' ' ' PRO . . . -145.86 -158.71 7.83 Favored Glycine 0 CA--C 1.51 -0.28 0 N-CA-C 111.048 -0.821 . . . . 74.12 111.048 179.804 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 29.8 m-85 -99.51 160.03 14.59 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 117.377 0.589 . . . . 72.25 110.781 178.192 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.542 ' HB2' ' HB2' ' A' ' 88' ' ' ASN . . . -150.71 136.71 18.36 Favored 'General case' 0 C--O 1.239 0.505 0 CA-C-N 115.869 -0.605 . . . . 73.43 109.979 176.038 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -97.49 123.44 41.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.908 -0.587 . . . . 75.45 110.19 177.724 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.411 ' HB3' HD11 ' B' ' 3' ' ' ILE . 27.3 t70 -109.99 110.65 21.64 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.297 -0.865 . . . . 62.1 109.334 178.566 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.615 HG13 HG12 ' A' ' 83' ' ' VAL . 61.3 t -108.47 110.52 32.3 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.929 0 CA-C-N 115.997 -0.547 . . . . 41.42 110.722 -175.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -98.27 106.47 18.77 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.7 -0.482 . . . . 51.52 109.7 175.085 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 27.4 tp -93.94 110.17 21.86 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.091 -0.504 . . . . 73.33 109.843 -178.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.585 ' HA ' ' O ' ' A' ' 137' ' ' VAL . 28.9 ttm180 -99.58 116.89 32.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.63 -0.714 . . . . 73.43 110.454 -177.2 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.434 HG12 ' CD2' ' A' ' 103' ' ' LEU . 34.3 t -112.83 104.0 16.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.357 -0.383 . . . . 72.23 110.675 -174.26 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -105.91 101.67 11.15 Favored 'General case' 0 N--CA 1.466 0.332 0 N-CA-C 112.088 0.403 . . . . 73.1 112.088 -174.178 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.637 ' HB2' HD23 ' A' ' 106' ' ' LEU . 4.0 mm? -101.18 133.68 20.81 Favored Pre-proline 0 N--CA 1.466 0.338 0 CA-C-N 115.935 -0.575 . . . . 73.31 109.797 174.156 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . 0.558 ' HD3' ' HA ' ' A' ' 77' ' ' THR . 74.4 Cg_endo -76.2 148.71 31.09 Favored 'Trans proline' 0 N--CA 1.459 -0.517 0 C-N-CA 122.715 2.277 . . . . 73.52 111.945 177.521 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 64.42 14.57 57.51 Favored Glycine 0 CA--C 1.524 0.63 0 CA-C-N 115.332 -0.849 . . . . 54.45 112.869 -178.654 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.637 HD23 ' HB2' ' A' ' 103' ' ' LEU . 40.5 tp -118.74 138.87 52.36 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-O 120.974 0.416 . . . . 65.03 110.67 -178.738 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -76.48 161.22 28.81 Favored 'General case' 0 CA--C 1.509 -0.628 0 CA-C-N 115.765 -0.652 . . . . 72.42 110.218 178.416 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.576 ' O ' ' HG3' ' A' ' 112' ' ' LYS . . . -68.13 -43.71 77.76 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 115.542 -0.753 . . . . 74.35 109.645 170.112 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -57.64 -51.01 71.25 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 115.801 -0.636 . . . . 64.13 110.844 -178.184 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.468 ' O ' HG22 ' A' ' 113' ' ' THR . . . -68.34 -43.18 78.09 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 115.936 -0.574 . . . . 73.25 110.004 179.143 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -55.26 -35.32 64.88 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 115.757 -0.656 . . . . 54.13 111.694 178.673 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.576 ' HG3' ' O ' ' A' ' 108' ' ' ALA . 68.3 mttm -52.11 -45.62 64.96 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-O 120.534 0.207 . . . . 74.23 111.106 178.455 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . 0.468 HG22 ' O ' ' A' ' 110' ' ' ALA . 1.6 t -82.2 -37.89 25.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.45 -0.341 . . . . 74.22 110.558 -177.468 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.453 ' HG ' ' O ' ' A' ' 110' ' ' ALA . 44.7 mt -63.17 -50.07 71.82 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-O 120.942 0.401 . . . . 61.01 110.584 -177.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 97.6 t -65.07 -33.08 61.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.918 -0.583 . . . . 72.22 110.086 178.562 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -60.87 -61.01 2.9 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-O 120.926 0.393 . . . . 63.5 110.909 179.537 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . 0.453 ' HG2' ' O ' ' A' ' 113' ' ' THR . 13.7 ptm180 -62.09 -40.96 97.6 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.54 -0.754 . . . . 65.24 110.739 -178.14 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -59.89 -44.48 94.2 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.239 0.542 . . . . 63.41 110.061 176.372 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . 0.628 ' CE1' HG23 ' A' ' 128' ' ' THR . 43.5 t-80 -79.76 10.01 4.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.496 -0.775 . . . . 74.13 110.522 -179.612 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 6.2 t60 -108.7 -42.79 4.42 Favored 'General case' 0 C--N 1.333 -0.137 0 N-CA-C 109.806 -0.442 . . . . 75.14 109.806 173.584 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 34.3 m -82.79 -33.9 11.11 Favored 'Isoleucine or valine' 0 C--O 1.234 0.251 0 CA-C-N 115.997 -0.547 . . . . 74.54 112.069 -175.134 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' CYS . . . . . 0.55 ' O ' ' HB2' ' A' ' 125' ' ' SER . 74.7 m -68.3 149.51 98.05 Favored Pre-proline 0 CA--C 1.532 0.267 0 CA-C-N 116.869 -0.15 . . . . 72.12 110.601 179.301 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -65.73 171.26 9.96 Favored 'Trans proline' 0 C--N 1.352 0.729 0 C-N-CA 122.582 2.188 . . . . 74.45 112.525 -178.696 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 68.04 4.75 4.22 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 123.382 0.673 . . . . 65.44 109.835 -176.092 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . 0.627 ' O ' ' HG2' ' A' ' 129' ' ' ARG . 41.3 t -58.63 -53.48 57.91 Favored 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 123.731 0.812 . . . . 62.44 112.571 -169.683 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 29.9 p-10 -69.52 -35.9 75.91 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.208 0.527 . . . . 73.42 110.105 -170.145 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . 0.835 ' HB2' ' HB3' ' B' ' 127' ' ' ALA . . . -83.25 5.33 23.38 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.459 -0.791 . . . . 54.1 111.292 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . 0.628 HG23 ' CE1' ' A' ' 119' ' ' HIS . 1.7 t -129.23 11.41 5.92 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.071 0.462 . . . . 73.21 110.752 -175.317 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . 0.627 ' HG2' ' O ' ' A' ' 125' ' ' SER . 15.1 ptm180 -153.06 -43.73 0.1 Allowed 'General case' 0 N--CA 1.446 -0.639 0 CA-C-O 120.897 0.379 . . . . 72.04 111.292 170.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 14.7 m120 -78.66 -50.35 11.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.291 -0.413 . . . . 71.52 111.056 -175.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -89.52 -27.38 20.33 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.126 -0.488 . . . . 72.12 111.831 -173.248 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 59.3 t -123.52 145.73 30.05 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.248 0 CA-C-O 120.666 0.269 . . . . 70.22 110.601 -173.714 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -75.57 92.03 2.88 Favored 'General case' 0 C--O 1.238 0.494 0 CA-C-O 121.631 0.729 . . . . 45.42 111.396 -176.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . 0.55 HG22 ' HB ' ' A' ' 97' ' ' VAL . 61.3 t -119.75 109.61 26.71 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.57 0 CA-C-N 114.844 -1.071 . . . . 75.02 110.507 177.569 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 8.2 mmm-85 -80.8 114.06 19.43 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.631 -0.713 . . . . 72.41 109.365 178.141 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.519 HD11 ' ND1' ' A' ' 119' ' ' HIS . 16.6 mt -84.47 101.88 12.38 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.19 0.519 . . . . 50.04 110.6 179.686 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . 0.585 ' O ' ' HA ' ' A' ' 100' ' ' ARG . 0.2 OUTLIER -105.43 112.45 38.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 115.494 -0.775 . . . . 74.42 109.614 178.247 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 4.1 m -91.26 139.05 18.37 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-N 115.523 -0.762 . . . . 53.11 109.958 -177.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.312 -1.042 0 CA-C-N 115.677 -0.692 . . . . 73.13 110.861 -176.012 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.511 ' HE3' HD13 ' B' ' 3' ' ' ILE . 19.8 ptt? . . . . . 0 C--O 1.236 0.345 0 CA-C-O 121.116 0.484 . . . . 72.42 110.899 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 55.2 t30 -78.34 70.35 4.68 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.791 -0.64 . . . . 61.35 110.501 178.138 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . 0.577 HG21 ' HB2' ' B' ' 6' ' ' LYS . 28.6 mm -62.84 137.84 23.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 115.691 -0.686 . . . . 72.42 111.226 176.205 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.734 ' HG ' ' HD3' ' A' ' 87' ' ' PRO . 94.4 mt -90.46 -47.15 7.89 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.797 -0.638 . . . . 75.25 109.871 174.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 5' ' ' TYR . . . . . . . . . . . . . 39.5 t80 -136.78 128.12 28.25 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 116.033 -0.531 . . . . 75.45 110.158 -179.005 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . 0.577 ' HB2' HG21 ' B' ' 3' ' ' ILE . 31.8 ttmt -133.24 128.91 36.9 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.202 0.525 . . . . 65.01 110.711 178.042 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 8.5 t -119.95 138.14 53.64 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.619 -0.719 . . . . 72.52 109.543 -179.597 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . 0.475 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . . . -114.82 136.05 53.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.32 -0.4 . . . . 64.22 110.823 -177.094 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . 0.683 ' HA ' ' HA ' ' B' ' 21' ' ' SER . . . -127.03 120.89 30.1 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.089 0.471 . . . . 31.45 110.861 179.583 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 60.9 m -96.85 114.02 25.61 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.565 -0.743 . . . . 64.31 110.037 -179.617 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 11' ' ' SER . . . . . 0.422 ' HA ' ' O ' ' B' ' 18' ' ' ARG . 11.8 p -106.12 113.48 27.04 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.845 -0.616 . . . . 74.14 110.477 178.415 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 3.2 m -93.11 156.24 16.98 Favored 'General case' 0 C--O 1.241 0.637 0 CA-C-N 115.92 -0.582 . . . . 53.42 110.875 -179.134 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -78.06 74.39 2.03 Favored Glycine 0 N--CA 1.446 -0.689 0 CA-C-N 115.909 -0.587 . . . . 71.12 111.94 175.483 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -67.78 -138.89 0.06 OUTLIER Glycine 0 CA--C 1.521 0.426 0 C-N-CA 121.347 -0.454 . . . . 73.4 112.098 175.629 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 18.0 mmm180 -65.43 -50.6 64.81 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 117.225 0.512 . . . . 65.14 110.623 176.707 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 16' ' ' ASP . . . . . 0.513 ' HB3' ' HA ' ' B' ' 31' ' ' SER . 10.4 t70 -125.72 -43.12 1.88 Allowed 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.129 -0.693 . . . . 65.33 109.129 172.056 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 17' ' ' GLY . . . . . 0.405 ' HA3' ' CD2' ' B' ' 30' ' ' LEU . . . -164.89 151.85 21.09 Favored Glycine 0 C--N 1.342 0.9 0 C-N-CA 120.204 -0.998 . . . . 74.22 111.768 163.534 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 18' ' ' ARG . . . . . 0.422 ' O ' ' HA ' ' B' ' 11' ' ' SER . 26.1 tpt85 -132.02 100.99 5.24 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.769 -0.456 . . . . 74.4 109.769 -179.528 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 19' ' ' ALA . . . . . 0.553 ' HB1' ' HB1' ' A' ' 52' ' ' ALA . . . -99.5 124.03 44.3 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 120.558 0.218 . . . . 64.21 110.444 -174.24 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 30.2 m -138.46 112.31 8.4 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 110.483 -0.191 . . . . 75.11 110.483 -177.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 21' ' ' SER . . . . . 0.683 ' HA ' ' HA ' ' B' ' 9' ' ' ALA . 13.1 t -65.21 107.21 1.51 Allowed 'General case' 0 C--O 1.245 0.851 0 N-CA-C 106.697 -1.594 . . . . 74.21 106.697 179.096 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 22' ' ' HIS . . . . . 0.479 ' H ' ' HA ' ' B' ' 9' ' ' ALA . 39.8 t-80 -55.0 -26.3 36.03 Favored 'General case' 0 C--N 1.348 0.501 0 O-C-N 126.462 2.351 . . . . 73.12 112.644 -165.195 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -80.48 17.27 1.12 Allowed 'General case' 0 C--N 1.317 -0.815 0 CA-C-O 121.292 0.568 . . . . 63.54 109.907 178.66 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 28.1 mm-40 68.38 29.78 5.68 Favored 'General case' 0 CA--C 1.518 -0.276 0 CA-C-N 114.783 -1.099 . . . . 71.43 110.565 173.392 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 8.2 mtmp? -103.23 -11.0 18.3 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 115.665 -0.698 . . . . 41.25 112.157 176.439 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . 0.625 ' HB3' ' HB2' ' B' ' 21' ' ' SER . 50.1 tp -150.16 148.56 29.1 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 119.582 -0.847 . . . . 71.52 110.95 173.142 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -158.34 91.0 1.06 Allowed 'General case' 0 CA--C 1.536 0.415 0 O-C-N 123.497 0.498 . . . . 53.33 110.403 178.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 4.9 m -143.28 177.91 2.27 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.441 0 CA-C-O 121.686 0.755 . . . . 74.12 112.175 178.712 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -126.48 146.48 50.09 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 114.752 -1.113 . . . . 64.31 109.728 179.333 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . 0.892 ' HA ' ' H ' ' B' ' 44' ' ' THR . 0.0 OUTLIER -129.05 166.07 19.94 Favored 'General case' 0 C--O 1.253 1.251 0 CA-C-O 120.65 0.262 . . . . 72.32 110.446 176.257 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . 0.513 ' HA ' ' HB3' ' B' ' 16' ' ' ASP . 29.9 m -155.05 135.56 13.39 Favored 'General case' 0 N--CA 1.455 -0.195 0 CA-C-N 115.562 -0.744 . . . . 62.35 111.115 -174.337 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -74.72 130.38 81.58 Favored Pre-proline 0 C--O 1.239 0.526 0 CA-C-N 116.288 -0.414 . . . . 75.13 110.463 175.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 33' ' ' PRO . . . . . 0.596 ' HG2' HD23 ' B' ' 36' ' ' LEU . 9.9 Cg_endo -51.33 122.26 9.82 Favored 'Trans proline' 0 C--N 1.351 0.664 0 C-N-CA 122.671 2.247 . . . . 71.3 111.532 179.36 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 34' ' ' ARG . . . . . 0.512 ' HB2' ' HA2' ' B' ' 40' ' ' GLY . 0.6 OUTLIER -51.04 -37.21 44.02 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 115.409 -0.814 . . . . 71.43 110.934 -174.393 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -50.6 -38.18 44.23 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 115.932 -0.576 . . . . 72.42 112.509 -172.013 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.596 HD23 ' HG2' ' B' ' 33' ' ' PRO . 1.7 mm? -88.58 -26.53 21.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.779 0.323 . . . . 63.52 110.573 -174.38 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 135.67 44.67 0.1 OUTLIER Glycine 0 C--N 1.331 0.251 0 C-N-CA 121.13 -0.557 . . . . 51.22 112.592 179.154 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -100.37 -137.25 9.71 Favored Glycine 0 N--CA 1.445 -0.747 0 N-CA-C 111.294 -0.723 . . . . 64.12 111.294 178.457 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -116.48 -8.19 11.59 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 120.805 0.336 . . . . 71.25 111.576 -177.177 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 40' ' ' GLY . . . . . 0.512 ' HA2' ' HB2' ' B' ' 34' ' ' ARG . . . 64.5 24.65 69.53 Favored Glycine 0 C--N 1.333 0.395 0 C-N-CA 121.108 -0.568 . . . . 53.13 112.762 -176.392 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -78.56 161.63 26.87 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.747 0.308 . . . . 45.11 110.873 -177.522 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -87.91 37.21 0.79 Allowed 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 116.246 -0.434 . . . . 74.14 112.061 -173.199 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -97.7 -162.23 31.22 Favored Glycine 0 CA--C 1.521 0.416 0 C-N-CA 121.195 -0.526 . . . . 72.12 112.527 178.77 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 44' ' ' THR . . . . . 0.892 ' H ' ' HA ' ' B' ' 30' ' ' LEU . 62.0 m -98.5 133.03 43.44 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 110.276 -0.268 . . . . 35.03 110.276 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 45' ' ' ASN . . . . . 0.579 ' HB2' ' HB3' ' B' ' 48' ' ' GLN . 2.4 m-20 -61.62 141.51 94.81 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 116.92 -0.127 . . . . 71.14 111.105 -179.221 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 46' ' ' PRO . . . . . 0.441 ' HB3' ' SG ' ' A' ' 57' ' ' CYS . 26.4 Cg_exo -63.58 -55.32 0.72 Allowed 'Trans proline' 0 C--N 1.35 0.641 0 C-N-CA 123.225 2.617 . . . . 54.41 112.913 -178.318 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 47' ' ' GLU . . . . . 0.465 ' OE1' ' HB3' ' B' ' 45' ' ' ASN . 1.4 pm0 -65.2 -35.51 81.28 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-O 121.158 0.504 . . . . 73.03 110.092 -178.606 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . 0.579 ' HB3' ' HB2' ' B' ' 45' ' ' ASN . 24.6 tt0 -60.7 -40.33 91.86 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.57 -0.741 . . . . 65.22 110.128 173.892 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 49' ' ' LEU . . . . . 0.506 HD12 ' HA3' ' A' ' 53' ' ' GLY . 3.4 tm? -64.82 -50.97 64.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.196 -0.911 . . . . 73.15 110.238 -178.595 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 35.5 t80 -59.47 -49.79 76.42 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.398 -0.364 . . . . 74.53 110.585 178.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -53.16 -50.39 64.69 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.294 -0.412 . . . . 63.22 111.205 178.613 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.34 -49.04 79.34 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-N 116.069 -0.514 . . . . 74.31 111.136 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . 0.565 ' HA3' HD12 ' A' ' 49' ' ' LEU . . . -64.82 -36.52 93.2 Favored Glycine 0 N--CA 1.451 -0.339 0 CA-C-N 115.843 -0.617 . . . . 73.22 112.168 -179.053 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -70.83 -35.9 72.67 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.717 -0.475 . . . . 73.14 109.717 179.671 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 10.3 t -63.81 -50.92 67.04 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 116.059 -0.519 . . . . 71.55 109.65 178.106 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.92 -41.12 95.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.671 -0.695 . . . . 72.32 110.763 179.245 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 57' ' ' CYS . . . . . . . . . . . . . 51.9 t -63.43 -38.02 89.52 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.892 -0.594 . . . . 72.4 109.98 178.426 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 27.2 t80 -67.0 -35.37 79.8 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.01 -0.541 . . . . 52.32 109.615 -178.069 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . 0.415 ' O ' ' HG3' ' B' ' 63' ' ' LYS . 60.5 tp -64.24 -54.18 37.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.608 -0.724 . . . . 64.41 110.531 178.139 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 60' ' ' SER . . . . . 0.659 ' HA ' ' HD3' ' B' ' 63' ' ' LYS . 9.5 t -65.17 -41.71 94.41 Favored 'General case' 0 C--O 1.238 0.457 0 CA-C-O 121.122 0.487 . . . . 73.23 110.394 -178.226 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . 0.446 ' O ' HG23 ' B' ' 65' ' ' VAL . . . -59.63 -45.13 92.87 Favored 'General case' 0 C--N 1.334 -0.104 0 CA-C-N 115.968 -0.56 . . . . 44.1 110.225 177.305 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 62' ' ' MET . . . . . 0.448 ' HG3' ' CD2' ' B' ' 73' ' ' LEU . 5.3 tpt -56.63 -39.09 73.04 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 115.849 -0.614 . . . . 71.0 110.212 177.239 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . 0.659 ' HD3' ' HA ' ' B' ' 60' ' ' SER . 56.1 mtpt -62.41 -51.98 65.37 Favored 'General case' 0 CA--C 1.53 0.178 0 CA-C-N 115.828 -0.623 . . . . 72.03 110.67 178.049 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 47.2 t80 -63.17 -37.29 86.64 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 121.017 0.436 . . . . 73.11 110.646 179.634 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . 0.446 HG23 ' O ' ' B' ' 61' ' ' ALA . 38.4 t -59.05 -43.08 88.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.048 -0.524 . . . . 75.05 110.152 176.596 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -58.84 -31.54 68.6 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.073 -0.512 . . . . 74.13 110.515 177.406 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -71.16 -29.86 68.19 Favored Glycine 0 C--N 1.329 0.192 0 CA-C-N 115.495 -0.775 . . . . 75.04 112.222 -177.227 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -97.25 -14.5 21.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.223 0.535 . . . . 64.5 109.702 179.624 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 11.4 m-80 -95.62 -1.53 50.06 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.421 -0.809 . . . . 65.21 110.813 176.299 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 61.24 29.59 18.78 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 115.95 -0.568 . . . . 73.12 111.422 174.362 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -118.65 166.21 13.02 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.574 -0.739 . . . . 74.24 110.397 179.62 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 15.4 p -126.83 125.82 42.31 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.053 -0.521 . . . . 74.12 111.176 -176.813 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . 0.448 ' CD2' ' HG3' ' B' ' 62' ' ' MET . 0.2 OUTLIER -109.82 140.92 22.71 Favored Pre-proline 0 C--N 1.326 -0.44 0 CA-C-N 115.985 -0.552 . . . . 75.15 111.27 179.457 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 74' ' ' PRO . . . . . 0.619 ' HD2' HD11 ' B' ' 103' ' ' LEU . 32.5 Cg_exo -60.73 120.74 8.64 Favored 'Trans proline' 0 C--N 1.349 0.584 0 C-N-CA 122.764 2.309 . . . . 62.01 111.399 172.387 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -77.01 -4.4 43.93 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.016 0.376 . . . . 71.53 112.016 -176.237 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -80.99 1.96 28.97 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-O 121.351 0.596 . . . . 60.22 110.932 -179.515 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 77' ' ' THR . . . . . 0.512 ' HB ' HD22 ' B' ' 103' ' ' LEU . 3.2 t -69.61 167.63 16.49 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.597 -0.729 . . . . 73.25 112.439 -176.148 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 78' ' ' THR . . . . . 0.597 HG22 ' HA ' ' A' ' 12' ' ' THR . 1.2 p -138.34 149.51 45.68 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.133 -0.94 . . . . 71.23 110.064 176.22 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 91.5 t -129.27 120.13 50.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 N-CA-C 109.409 -0.589 . . . . 54.24 109.409 175.129 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 80' ' ' THR . . . . . 0.548 ' HA ' ' HA ' ' A' ' 10' ' ' THR . 8.0 m -111.11 110.79 21.47 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 116.288 -0.414 . . . . 72.42 110.756 -177.443 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -92.92 106.81 18.72 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.093 -0.503 . . . . 73.43 109.679 177.775 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 82' ' ' GLU . . . . . 0.41 ' HA ' ' HA ' ' A' ' 8' ' ' ALA . 31.8 tt0 -98.59 107.72 20.24 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 108.817 -0.808 . . . . 71.23 108.817 178.381 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 7.4 p -103.86 134.61 44.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.044 -0.526 . . . . 71.44 111.196 -173.043 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 84' ' ' GLY . . . . . . . . . . . . . . . -127.28 167.2 19.76 Favored Glycine 0 N--CA 1.443 -0.881 0 CA-C-N 115.724 -0.671 . . . . 52.45 111.661 175.608 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -146.7 135.4 16.0 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.816 0 N-CA-C 109.272 -0.64 . . . . 73.1 109.272 178.394 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -155.25 169.65 33.25 Favored Glycine 0 N--CA 1.452 -0.26 0 N-CA-C 111.081 -0.808 . . . . 52.3 111.081 -178.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 87' ' ' PRO . . . . . 0.656 ' HD3' ' HG ' ' A' ' 4' ' ' LEU . 94.3 Cg_endo -82.44 142.09 11.61 Favored 'Trans proline' 0 N--CA 1.455 -0.786 0 C-N-CA 122.326 2.017 . . . . 61.3 112.786 -176.513 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 88' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -84.67 155.33 22.0 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.686 -0.857 . . . . 72.3 108.686 173.056 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -63.96 -11.48 28.99 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 120.689 0.28 . . . . 65.22 111.724 -176.572 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -71.01 -27.34 63.61 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-O 121.178 0.513 . . . . 74.05 110.484 175.546 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.19 34.16 3.76 Favored Glycine 0 N--CA 1.455 -0.099 0 CA-C-N 115.587 -0.733 . . . . 72.2 111.79 -175.367 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 92' ' ' GLY . . . . . 0.46 ' O ' ' HA ' ' B' ' 87' ' ' PRO . . . -134.3 -169.52 12.03 Favored Glycine 0 C--O 1.229 -0.213 0 N-CA-C 110.694 -0.962 . . . . 70.13 110.694 177.512 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 93' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -98.48 153.16 18.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 117.576 0.688 . . . . 73.12 111.124 179.446 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -143.19 139.82 30.48 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.533 -0.758 . . . . 62.21 109.314 178.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -103.45 145.42 30.03 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-O 121.147 0.499 . . . . 74.21 111.429 -175.32 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 96' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -126.86 133.68 50.67 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 114.97 -1.014 . . . . 73.53 109.241 -179.49 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 97' ' ' VAL . . . . . 0.532 ' HB ' HG22 ' B' ' 134' ' ' VAL . 61.3 t -137.74 110.95 7.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.81 0.338 . . . . 65.34 110.277 178.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 98' ' ' GLU . . . . . 0.456 ' HG2' ' HB2' ' B' ' 135' ' ' ARG . 40.6 mt-10 -98.62 111.75 24.02 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.709 -0.478 . . . . 74.42 109.709 176.559 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 88.3 mt -93.67 106.99 18.92 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 116.353 -0.385 . . . . 61.12 109.974 -178.174 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 100' ' ' ARG . . . . . 0.611 ' HA ' ' O ' ' B' ' 137' ' ' VAL . 77.8 ttt180 -99.53 106.89 18.94 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.537 -0.756 . . . . 64.11 110.475 -174.417 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 101' ' ' VAL . . . . . . . . . . . . . 84.9 t -97.49 99.44 8.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 116.434 -0.348 . . . . 60.12 110.54 -175.177 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 102' ' ' ALA . . . . . 0.513 ' HA ' ' HB3' ' B' ' 139' ' ' ALA . . . -91.95 101.21 13.77 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.357 -0.609 . . . . 53.32 109.357 178.442 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 103' ' ' LEU . . . . . 0.619 HD11 ' HD2' ' B' ' 74' ' ' PRO . 0.3 OUTLIER -112.68 118.59 44.79 Favored Pre-proline 0 C--N 1.326 -0.428 0 CA-C-N 115.521 -0.763 . . . . 72.24 109.423 -174.745 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 104' ' ' PRO . . . . . 0.474 ' HD2' HD13 ' B' ' 103' ' ' LEU . 65.2 Cg_endo -72.7 150.06 49.76 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.456 2.104 . . . . 74.24 112.524 179.183 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 105' ' ' GLY . . . . . . . . . . . . . . . 64.72 15.21 59.51 Favored Glycine 0 CA--C 1.521 0.412 0 CA-C-N 115.548 -0.751 . . . . 72.34 113.224 179.432 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 106' ' ' LEU . . . . . 0.444 HD23 ' HB3' ' B' ' 103' ' ' LEU . 31.9 tp -124.77 137.0 54.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.112 0.482 . . . . 60.53 110.952 -178.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -80.58 145.9 31.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.303 -0.862 . . . . 63.12 110.454 176.718 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 108' ' ' ALA . . . . . 0.467 ' O ' ' HG3' ' B' ' 112' ' ' LYS . . . -61.71 -37.4 84.02 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.515 -0.311 . . . . 34.32 111.058 -179.552 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -56.28 -46.21 79.82 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-N 116.14 -0.482 . . . . 64.51 110.937 -179.408 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 110' ' ' ALA . . . . . 0.57 ' O ' HG22 ' B' ' 113' ' ' THR . . . -77.75 -38.67 46.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.801 -0.636 . . . . 72.03 110.32 178.66 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 111' ' ' ALA . . . . . 0.421 ' HA ' HD21 ' B' ' 106' ' ' LEU . . . -54.76 -39.03 67.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.815 -0.63 . . . . 64.14 111.1 -178.64 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 112' ' ' LYS . . . . . 0.467 ' HG3' ' O ' ' B' ' 108' ' ' ALA . 98.6 mttt -58.08 -44.3 87.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.107 -0.497 . . . . 74.45 110.978 178.66 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 113' ' ' THR . . . . . 0.57 HG22 ' O ' ' B' ' 110' ' ' ALA . 1.1 t -73.03 -34.62 66.45 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 121.018 -0.273 . . . . 72.03 110.308 -177.846 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 114' ' ' LEU . . . . . 0.441 ' HG ' ' O ' ' B' ' 110' ' ' ALA . 52.9 mt -65.27 -49.9 67.79 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 116.388 -0.369 . . . . 70.23 110.419 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 115' ' ' VAL . . . . . . . . . . . . . 90.8 t -64.33 -37.39 79.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.043 -0.526 . . . . 63.55 110.327 178.437 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -58.77 -56.38 23.01 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 116.153 -0.476 . . . . 75.43 110.658 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 117' ' ' ARG . . . . . 0.42 HH11 ' HD3' ' B' ' 117' ' ' ARG . 1.9 ptm180 -65.71 -42.57 90.98 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-N 116.189 -0.459 . . . . 70.2 110.935 -177.184 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -59.99 -47.59 85.21 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 121.243 0.544 . . . . 61.11 110.854 -179.591 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 19.9 t60 -73.1 -10.91 60.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.514 -0.766 . . . . 74.31 110.784 -178.084 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 58.1 t-80 -96.71 -45.86 6.51 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.351 -0.386 . . . . 61.52 111.198 -178.389 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 35.4 m -69.79 -35.49 65.46 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.24 0 CA-C-N 116.085 -0.507 . . . . 63.42 111.603 -174.783 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 122' ' ' CYS . . . . . . . . . . . . . 52.9 t -153.8 79.62 5.22 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 120.879 0.371 . . . . 74.53 111.522 -179.155 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 123' ' ' PRO . . . . . . . . . . . . . 96.5 Cg_endo -88.33 163.36 6.87 Favored 'Trans proline' 0 N--CA 1.456 -0.695 0 C-N-CA 122.703 2.269 . . . . 65.25 110.908 171.15 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 124' ' ' TYR . . . . . 0.452 ' O ' ' HB3' ' B' ' 125' ' ' SER . 2.1 t80 -74.22 79.57 1.8 Allowed 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 108.313 -0.995 . . . . 65.35 108.313 174.636 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 125' ' ' SER . . . . . 0.452 ' HB3' ' O ' ' B' ' 124' ' ' TYR . 47.7 t 75.87 144.11 0.08 Allowed 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 115.2 -0.909 . . . . 64.23 110.223 -171.706 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 126' ' ' ASN . . . . . . . . . . . . . 53.1 t30 -66.63 -31.53 72.28 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-O 121.894 0.854 . . . . 74.24 109.635 178.071 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 127' ' ' ALA . . . . . 0.835 ' HB3' ' HB2' ' A' ' 127' ' ' ALA . . . -70.59 6.65 1.34 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 114.865 -1.061 . . . . 65.3 112.134 -177.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 128' ' ' THR . . . . . 0.419 HG22 ' O ' ' B' ' 125' ' ' SER . 5.9 t -89.8 -14.53 34.28 Favored 'General case' 0 CA--C 1.516 -0.362 0 N-CA-C 108.497 -0.927 . . . . 55.14 108.497 -175.703 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 129' ' ' ARG . . . . . . . . . . . . . 17.0 ptt180 -122.3 -41.83 2.39 Favored 'General case' 0 N--CA 1.445 -0.704 0 CA-C-N 114.893 -1.049 . . . . 75.21 111.117 -176.471 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 130' ' ' ASN . . . . . . . . . . . . . 13.6 m120 -73.45 -47.13 44.04 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 116.402 -0.363 . . . . 74.14 111.339 176.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 131' ' ' ASN . . . . . 0.589 ' HB3' ' O ' ' B' ' 127' ' ' ALA . 3.7 t-20 -78.15 -43.93 27.4 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 121.085 0.469 . . . . 75.43 110.531 -177.236 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 132' ' ' VAL . . . . . . . . . . . . . 24.7 t -95.09 136.33 26.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.563 -0.744 . . . . 52.13 110.331 -178.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 133' ' ' ALA . . . . . . . . . . . . . . . -77.53 90.07 3.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.358 0.599 . . . . 72.23 110.792 -179.2 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 134' ' ' VAL . . . . . 0.532 HG22 ' HB ' ' B' ' 97' ' ' VAL . 87.7 t -105.16 129.7 57.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.284 -0.871 . . . . 61.1 110.788 -178.248 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 135' ' ' ARG . . . . . 0.456 ' HB2' ' HG2' ' B' ' 98' ' ' GLU . 19.4 mmt-85 -102.98 121.3 42.25 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 108.863 -0.791 . . . . 74.32 108.863 174.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 71.4 mt -88.87 109.34 20.12 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.196 0.522 . . . . 72.41 109.915 177.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 137' ' ' VAL . . . . . 0.611 ' O ' ' HA ' ' B' ' 100' ' ' ARG . 0.2 OUTLIER -117.08 115.99 50.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.332 -0.849 . . . . 72.22 110.07 -178.058 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 138' ' ' VAL . . . . . 0.427 HG11 ' HA ' ' B' ' 112' ' ' LYS . 4.6 m -94.94 138.35 21.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 116.027 -0.533 . . . . 70.52 109.995 179.501 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 139' ' ' ALA . . . . . 0.513 ' HB3' ' HA ' ' B' ' 102' ' ' ALA . . . . . . . . 0 C--N 1.313 -0.992 0 CA-C-N 115.288 -0.869 . . . . 71.35 110.28 -174.032 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.466 ' HE3' HD13 ' A' ' 3' ' ' ILE . 15.7 ptt? . . . . . 0 N--CA 1.486 1.36 0 CA-C-O 120.593 0.235 . . . . 71.43 110.841 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 48.9 t30 -72.21 78.63 0.97 Allowed 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 121.287 0.565 . . . . 75.52 110.813 176.33 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.644 HD11 ' HB3' ' B' ' 96' ' ' ASP . 34.7 mm -72.92 135.1 28.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.769 -0.65 . . . . 51.02 112.078 176.138 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.662 ' HG ' ' HD3' ' B' ' 87' ' ' PRO . 86.5 mt -88.6 -42.93 11.73 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.497 -0.774 . . . . 74.21 110.022 173.162 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . 0.508 ' CD2' ' HB3' ' B' ' 35' ' ' GLU . 61.4 t80 -143.4 136.54 27.91 Favored 'General case' 0 C--O 1.222 -0.383 0 CA-C-N 116.443 -0.344 . . . . 54.43 110.486 178.721 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.559 ' HD3' ' HG2' ' B' ' 82' ' ' GLU . 29.7 ttmt -141.43 137.98 32.6 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.322 -0.399 . . . . 62.42 110.353 178.393 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 9.6 t -135.46 147.44 48.91 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.465 -0.789 . . . . 73.02 109.147 -178.32 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.425 ' HA ' ' HA ' ' B' ' 82' ' ' GLU . . . -111.74 156.4 21.97 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 121.616 0.722 . . . . 64.34 112.466 -171.208 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.826 ' HB2' HE21 ' B' ' 48' ' ' GLN . . . -146.34 125.26 12.74 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.163 -0.926 . . . . 65.14 109.763 174.872 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.404 ' HA ' ' HA ' ' B' ' 80' ' ' THR . 10.7 t -106.28 129.36 54.32 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.733 -0.469 . . . . 73.43 109.733 178.381 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 22.4 t -113.21 119.3 37.27 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.25 -0.432 . . . . 71.32 110.11 179.199 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.58 ' HA ' HG22 ' B' ' 78' ' ' THR . 4.4 m -98.13 156.37 16.7 Favored 'General case' 0 C--O 1.238 0.477 0 CA-C-N 116.248 -0.433 . . . . 72.12 110.545 179.636 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -90.37 77.28 1.56 Allowed Glycine 0 N--CA 1.448 -0.552 0 N-CA-C 111.493 -0.643 . . . . 62.44 111.493 175.659 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -62.72 -109.2 0.01 OUTLIER Glycine 0 C--N 1.333 0.391 0 C-N-CA 121.039 -0.6 . . . . 62.02 112.015 176.272 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 33.1 ttm180 -88.74 -49.53 6.79 Favored 'General case' 0 C--N 1.332 -0.154 0 O-C-N 122.383 -0.481 . . . . 73.04 109.933 173.261 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -125.67 -43.5 1.87 Allowed 'General case' 0 N--CA 1.467 0.379 0 N-CA-C 109.927 -0.397 . . . . 74.22 109.927 178.105 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.518 ' O ' ' HG3' ' A' ' 29' ' ' LYS . . . -169.84 157.88 29.7 Favored Glycine 0 C--N 1.341 0.842 0 C-N-CA 120.295 -0.955 . . . . 73.12 111.447 161.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.659 ' HA ' ' HA ' ' A' ' 29' ' ' LYS . 7.0 tmm_? -143.57 120.67 11.44 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 117.316 0.558 . . . . 73.24 109.981 177.72 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.509 ' HB2' ' HB2' ' B' ' 56' ' ' ALA . . . -107.94 136.02 48.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.356 -0.384 . . . . 71.12 110.616 -177.179 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 30.0 m -140.66 113.68 8.39 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.318 -0.401 . . . . 63.53 110.708 -179.679 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.528 ' HB3' ' N ' ' A' ' 26' ' ' LEU . 44.2 t -70.2 109.9 4.9 Favored 'General case' 0 C--O 1.246 0.904 0 N-CA-C 107.965 -1.124 . . . . 62.3 107.965 175.153 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.445 ' C ' ' H ' ' A' ' 24' ' ' GLN . 40.9 t-80 -57.01 -23.76 48.6 Favored 'General case' 0 N--CA 1.471 0.621 0 O-C-N 126.121 2.138 . . . . 71.44 112.679 -166.873 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.461 ' CB ' ' HE3' ' A' ' 25' ' ' LYS . 3.2 m-20 -80.0 16.49 1.19 Allowed 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.353 0.597 . . . . 73.43 109.698 178.789 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.445 ' H ' ' C ' ' A' ' 22' ' ' HIS . 27.1 mm-40 68.69 18.53 8.73 Favored 'General case' 0 CA--C 1.517 -0.295 0 CA-C-N 114.555 -1.202 . . . . 72.53 109.41 177.466 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.487 ' HB2' ' OG ' ' A' ' 21' ' ' SER . 97.6 mttt -76.47 -29.87 57.08 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-N 114.713 -1.131 . . . . 73.44 110.411 179.561 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.528 ' N ' ' HB3' ' A' ' 21' ' ' SER . 47.8 tp -153.43 148.89 27.18 Favored 'General case' 0 CA--C 1.51 -0.586 0 C-N-CA 119.699 -0.8 . . . . 74.42 112.151 -176.523 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -158.16 90.86 1.07 Allowed 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 114.94 -1.027 . . . . 74.13 110.29 -179.006 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.495 ' O ' ' HG2' ' A' ' 18' ' ' ARG . 6.6 m -145.21 176.92 1.85 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.569 0 CA-C-O 121.366 0.603 . . . . 62.12 111.692 179.687 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.659 ' HA ' ' HA ' ' A' ' 18' ' ' ARG . 30.6 tttm -124.89 143.87 50.62 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.218 -0.901 . . . . 62.42 110.381 -177.61 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.617 ' HA ' ' H ' ' A' ' 44' ' ' THR . 0.0 OUTLIER -125.37 167.08 15.44 Favored 'General case' 0 C--O 1.259 1.596 0 CA-C-O 121.178 0.513 . . . . 64.12 111.039 176.421 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.5 m -148.11 147.71 29.81 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 114.706 -1.133 . . . . 75.34 110.422 -173.605 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -78.08 137.02 61.25 Favored Pre-proline 0 C--O 1.241 0.644 0 CA-C-N 116.537 -0.302 . . . . 52.21 110.692 176.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 28.2 Cg_endo -61.97 115.66 2.97 Favored 'Trans proline' 0 C--N 1.35 0.637 0 C-N-CA 122.769 2.313 . . . . 73.33 112.021 -177.069 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.617 ' HB2' ' N ' ' A' ' 40' ' ' GLY . 68.5 ttt-85 -81.97 55.17 2.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.371 0.605 . . . . 50.12 111.089 -176.709 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 71.3 mm-40 -117.62 -22.03 8.27 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.617 -0.72 . . . . 75.14 109.573 173.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 52.6 mt -122.33 11.47 10.04 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 115.512 -0.767 . . . . 63.44 110.479 -175.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 106.67 65.74 0.63 Allowed Glycine 0 C--N 1.331 0.3 0 CA-C-N 116.0 -0.545 . . . . 72.22 112.217 -178.236 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -132.73 -137.94 4.01 Favored Glycine 0 C--N 1.335 0.511 0 N-CA-C 111.491 -0.643 . . . . 73.44 111.491 179.037 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -123.73 -27.22 4.01 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 111.514 0.191 . . . . 63.22 111.514 -177.169 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.617 ' N ' ' HB2' ' A' ' 34' ' ' ARG . . . 48.31 40.21 22.21 Favored Glycine 0 C--N 1.336 0.578 0 C-N-CA 121.519 -0.372 . . . . 45.53 112.85 -177.795 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -82.48 175.28 10.34 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.531 0.205 . . . . 44.21 110.958 -178.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -65.12 82.77 0.04 OUTLIER 'General case' 0 CA--C 1.533 0.322 0 CA-C-O 121.798 0.809 . . . . 71.23 110.007 175.164 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -164.64 -174.66 34.63 Favored Glycine 0 N--CA 1.449 -0.463 0 CA-C-N 115.327 -0.851 . . . . 55.55 111.754 174.274 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.617 ' H ' ' HA ' ' A' ' 30' ' ' LEU . 20.9 p -104.16 154.54 19.63 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 110.192 -0.299 . . . . 74.01 110.192 -178.235 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.611 ' HB2' ' HB3' ' A' ' 48' ' ' GLN . 85.6 m-20 -74.94 123.68 89.09 Favored Pre-proline 0 C--N 1.327 -0.37 0 N-CA-C 109.035 -0.728 . . . . 72.33 109.035 176.839 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_exo -50.07 -45.92 30.69 Favored 'Trans proline' 0 C--N 1.349 0.592 0 C-N-CA 122.711 2.274 . . . . 63.04 112.336 -178.162 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 8.7 mp0 -64.05 -37.3 86.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.557 -0.747 . . . . 62.13 110.069 -179.629 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.611 ' HB3' ' HB2' ' A' ' 45' ' ' ASN . 7.0 tm0? -68.53 -33.42 74.08 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 115.66 -0.7 . . . . 72.35 110.305 176.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.498 HD12 ' HA3' ' B' ' 53' ' ' GLY . 1.7 tm? -66.28 -47.5 73.45 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.423 -0.584 . . . . 71.11 109.423 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 36.7 t80 -62.88 -46.63 86.93 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.334 -0.394 . . . . 64.45 110.673 176.699 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.6 -52.09 66.17 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 116.593 -0.276 . . . . 52.03 111.133 178.02 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.1 -46.17 90.23 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-O 120.952 0.406 . . . . 51.43 110.858 -179.062 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.55 ' HA3' HD12 ' B' ' 49' ' ' LEU . . . -62.41 -44.97 96.87 Favored Glycine 0 N--CA 1.449 -0.438 0 CA-C-N 115.698 -0.683 . . . . 45.35 112.202 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.891 ' HA ' ' SG ' ' A' ' 57' ' ' CYS . 5.9 t80 -69.82 -34.5 73.75 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.852 0.358 . . . . 71.4 110.351 -179.529 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.508 ' HB2' ' HB2' ' A' ' 81' ' ' ALA . 8.6 t -62.32 -50.57 71.11 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.507 -0.553 . . . . 50.31 109.507 178.176 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.568 ' HB2' ' HB2' ' B' ' 19' ' ' ALA . . . -70.38 -40.33 74.04 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.879 -0.601 . . . . 72.41 111.297 -178.462 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.891 ' SG ' ' HA ' ' A' ' 54' ' ' TYR . 15.7 p -64.03 -35.94 82.36 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.688 -0.486 . . . . 74.4 109.688 179.226 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 23.0 t80 -52.58 -34.88 52.64 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 116.223 -0.444 . . . . 64.12 110.413 178.37 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -64.63 -42.37 95.52 Favored 'General case' 0 N--CA 1.465 0.29 0 N-CA-C 109.82 -0.437 . . . . 74.12 109.82 174.745 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.448 ' O ' ' HB3' ' A' ' 63' ' ' LYS . 27.4 t -66.45 -35.43 80.27 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-O 121.223 0.535 . . . . 74.4 110.154 178.688 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.408 ' O ' HG23 ' A' ' 65' ' ' VAL . . . -67.5 -43.25 81.36 Favored 'General case' 0 C--O 1.221 -0.429 0 CA-C-N 115.953 -0.567 . . . . 64.15 109.941 177.748 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -65.22 -36.28 83.66 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.187 0.518 . . . . 61.32 109.993 175.133 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.448 ' HB3' ' O ' ' A' ' 60' ' ' SER . 11.8 tptm -56.22 -49.99 72.56 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.057 -0.974 . . . . 62.32 109.959 177.63 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.422 ' CZ ' ' HE1' ' B' ' 93' ' ' PHE . 63.4 t80 -75.81 -48.45 21.59 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 115.465 -0.789 . . . . 70.35 111.705 -178.542 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.436 ' HA ' ' HG2' ' A' ' 68' ' ' GLN . 42.9 t -55.32 -40.45 56.94 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.31 0 CA-C-N 116.429 -0.35 . . . . 51.41 110.89 -178.031 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.515 ' HB1' ' O ' ' A' ' 71' ' ' GLN . . . -54.45 -33.71 60.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.171 0.51 . . . . 55.45 110.333 176.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -71.95 -31.97 63.97 Favored Glycine 0 C--N 1.33 0.202 0 CA-C-N 115.552 -0.749 . . . . 65.01 112.528 -177.806 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.436 ' HG2' ' HA ' ' A' ' 65' ' ' VAL . 14.1 pt20 -92.81 -11.88 32.58 Favored 'General case' 0 CA--C 1.52 -0.187 0 N-CA-C 108.949 -0.76 . . . . 73.33 108.949 179.088 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.45 ' HB3' ' HG2' ' A' ' 71' ' ' GLN . 0.9 OUTLIER -94.67 -5.17 46.19 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 114.857 -1.065 . . . . 73.35 110.544 175.402 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 11.0 mptt 58.73 29.48 18.71 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-O 121.61 0.719 . . . . 70.5 111.189 178.042 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.515 ' O ' ' HB1' ' A' ' 66' ' ' ALA . 2.8 pt20 -124.37 159.08 31.15 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 114.76 -1.109 . . . . 65.11 109.501 175.857 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 4.5 p -125.35 128.14 47.71 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.935 0.398 . . . . 71.13 110.476 177.79 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -109.23 145.54 32.01 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 115.938 -0.574 . . . . 63.13 110.51 179.851 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.413 ' HB2' ' HG2' ' A' ' 104' ' ' PRO . 48.8 Cg_exo -57.28 130.49 39.63 Favored 'Trans proline' 0 C--N 1.35 0.607 0 C-N-CA 122.73 2.287 . . . . 75.32 112.487 -179.441 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -77.02 -1.29 28.08 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 121.368 0.604 . . . . 74.43 110.901 178.084 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -85.55 17.95 3.01 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.284 -0.871 . . . . 72.44 110.393 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.53 ' HB ' HD12 ' A' ' 103' ' ' LEU . 5.8 t -91.7 159.26 15.94 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.559 -0.746 . . . . 73.42 112.11 -174.41 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 56.4 m -143.1 149.39 38.07 Favored 'General case' 0 CA--C 1.529 0.164 0 CA-C-N 115.62 -0.718 . . . . 65.01 110.355 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 92.6 t -134.15 132.91 55.92 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 115.512 -0.767 . . . . 73.54 109.006 177.341 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 87.8 m -114.13 115.95 28.34 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.677 0.275 . . . . 61.0 110.491 178.8 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.508 ' HB2' ' HB2' ' A' ' 55' ' ' SER . . . -93.25 105.18 17.29 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.299 -0.63 . . . . 75.0 109.299 175.036 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.54 ' HA ' ' HA ' ' B' ' 8' ' ' ALA . 24.6 tt0 -101.83 107.44 18.62 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.521 -0.918 . . . . 74.0 108.521 176.731 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.558 HG23 HG22 ' A' ' 97' ' ' VAL . 7.5 p -103.6 131.25 52.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.873 -0.603 . . . . 74.25 111.048 -172.649 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -122.48 160.86 16.86 Favored Glycine 0 N--CA 1.446 -0.696 0 CA-C-N 115.78 -0.645 . . . . 64.22 111.813 178.466 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -137.88 130.2 40.49 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 N-CA-C 108.785 -0.82 . . . . 71.32 108.785 178.67 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . 0.442 ' HA2' ' HG ' ' B' ' 4' ' ' LEU . . . -146.49 169.93 27.63 Favored Glycine 0 CA--C 1.517 0.186 0 O-C-N 123.985 0.803 . . . . 64.2 111.496 -176.329 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.676 ' HD3' ' HG ' ' B' ' 4' ' ' LEU . 7.2 Cg_exo -70.95 119.9 6.65 Favored 'Trans proline' 0 N--CA 1.462 -0.338 0 C-N-CA 122.665 2.244 . . . . 75.13 111.659 -176.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 52.8 t-20 -72.98 142.67 47.76 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.235 -0.654 . . . . 63.43 109.235 177.519 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -66.02 -13.34 59.74 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-O 121.173 0.511 . . . . 74.31 110.837 -179.763 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -71.74 -20.1 61.94 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 115.504 -0.771 . . . . 62.35 110.451 173.484 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.47 23.51 7.93 Favored Glycine 0 CA--C 1.518 0.233 0 CA-C-N 115.757 -0.656 . . . . 52.42 112.65 179.697 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -131.92 -140.78 4.59 Favored Glycine 0 N--CA 1.453 -0.21 0 N-CA-C 111.611 -0.596 . . . . 74.12 111.611 177.448 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -116.55 146.96 42.26 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.797 0.332 . . . . 72.25 110.15 178.283 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -132.15 133.02 43.77 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.934 -0.576 . . . . 73.43 110.188 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -96.06 124.32 40.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.941 -0.572 . . . . 75.45 110.08 178.576 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.474 ' HB3' HD11 ' B' ' 3' ' ' ILE . 10.2 t70 -117.78 110.33 17.67 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 108.745 -0.835 . . . . 62.1 108.745 -179.509 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.558 HG22 HG23 ' A' ' 83' ' ' VAL . 46.6 t -108.39 110.92 33.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.695 0.283 . . . . 41.42 111.192 -172.482 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.45 ' HA ' ' HB2' ' A' ' 135' ' ' ARG . 42.3 mt-10 -88.07 104.33 16.57 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.753 -0.462 . . . . 51.52 109.753 175.562 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 11.6 tp -94.28 107.09 19.06 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.168 -0.678 . . . . 73.33 109.168 -178.791 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.527 ' HA ' ' O ' ' A' ' 137' ' ' VAL . 59.2 ttt180 -99.43 111.43 23.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.539 -0.755 . . . . 73.43 110.076 -172.236 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 46.7 t -106.13 115.46 47.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.423 0.154 . . . . 72.23 111.192 -171.325 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -112.08 101.46 9.73 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-O 120.823 0.344 . . . . 73.1 110.163 176.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.877 HD23 HD22 ' A' ' 106' ' ' LEU . 38.9 tp -111.09 115.01 53.27 Favored Pre-proline 0 CA--C 1.53 0.205 0 N-CA-C 108.688 -0.856 . . . . 73.31 108.688 178.515 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . 0.556 ' HD2' HD12 ' A' ' 103' ' ' LEU . 56.6 Cg_endo -70.41 148.63 61.27 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.598 2.199 . . . . 73.52 112.35 -174.63 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 73.08 15.21 78.62 Favored Glycine 0 N--CA 1.451 -0.307 0 CA-C-N 115.629 -0.714 . . . . 54.45 112.273 -178.301 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.877 HD22 HD23 ' A' ' 103' ' ' LEU . 24.7 tp -125.52 141.16 52.19 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-O 120.947 0.403 . . . . 65.03 111.156 -177.219 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -82.19 141.99 32.57 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.681 -0.69 . . . . 72.42 110.318 174.39 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.505 ' O ' ' HG2' ' A' ' 112' ' ' LYS . . . -59.29 -34.91 72.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.852 0.358 . . . . 74.35 110.785 177.837 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -58.01 -46.64 84.94 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 115.823 -0.626 . . . . 64.13 110.813 179.593 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.473 ' O ' HG22 ' A' ' 113' ' ' THR . . . -75.96 -35.86 59.51 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-O 121.25 0.548 . . . . 73.25 109.922 177.695 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -56.27 -32.81 64.88 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.518 -0.765 . . . . 54.13 110.679 178.762 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.505 ' HG2' ' O ' ' A' ' 108' ' ' ALA . 32.0 mmtp -51.13 -48.96 61.65 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 115.803 -0.635 . . . . 74.23 110.796 176.624 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . 0.473 HG22 ' O ' ' A' ' 110' ' ' ALA . 1.9 t -81.99 -36.1 28.22 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.051 -0.522 . . . . 74.22 110.899 -175.273 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.415 ' HG ' ' O ' ' A' ' 110' ' ' ALA . 40.5 mt -61.53 -48.73 79.68 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 116.364 -0.38 . . . . 61.01 110.793 -179.454 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 67.6 t -67.16 -33.4 62.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.314 -0.403 . . . . 72.22 110.133 177.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -61.05 -58.03 10.1 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-N 115.873 -0.603 . . . . 63.5 110.901 178.174 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . 0.459 ' HG2' ' O ' ' A' ' 113' ' ' THR . 15.0 ptm180 -64.36 -39.09 93.18 Favored 'General case' 0 C--O 1.227 -0.1 0 CA-C-N 115.659 -0.701 . . . . 65.24 110.545 -177.45 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -58.34 -50.93 71.87 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.17 0.51 . . . . 63.41 110.315 176.776 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . 0.442 ' CD2' ' HB3' ' A' ' 129' ' ' ARG . 64.5 t60 -79.42 8.65 5.85 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 115.639 -0.71 . . . . 74.13 110.239 179.713 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 3.9 t-160 -108.71 -43.57 4.23 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 116.195 -0.457 . . . . 75.14 110.734 177.289 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 28.6 m -89.31 -21.03 6.94 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.391 0 CA-C-N 116.378 -0.374 . . . . 74.54 111.824 -173.62 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' CYS . . . . . 0.467 ' N ' ' HD3' ' A' ' 123' ' ' PRO . 52.6 t -138.45 60.45 20.92 Favored Pre-proline 0 C--O 1.236 0.353 0 CA-C-O 120.841 0.353 . . . . 72.12 110.636 178.873 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . 0.467 ' HD3' ' N ' ' A' ' 122' ' ' CYS . 50.5 Cg_endo -98.12 153.96 0.83 Allowed 'Trans proline' 0 N--CA 1.453 -0.871 0 C-N-CA 123.109 2.539 . . . . 74.45 112.553 178.603 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . 0.542 ' O ' ' HB ' ' A' ' 128' ' ' THR . 2.5 m-85 -73.8 73.09 1.57 Allowed 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 108.768 -0.826 . . . . 65.44 108.768 171.826 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . 0.478 ' HB3' ' O ' ' A' ' 124' ' ' TYR . 48.4 t 77.42 149.16 0.1 Allowed 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 115.074 -0.966 . . . . 62.44 110.127 -171.02 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' ASN . . . . . 0.403 ' O ' ' HG2' ' A' ' 129' ' ' ARG . 52.6 t-20 -61.94 -31.46 71.79 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 122.019 0.914 . . . . 73.42 108.675 176.248 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . 0.463 ' O ' HG23 ' A' ' 132' ' ' VAL . . . -66.24 3.26 0.93 Allowed 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 114.88 -1.054 . . . . 54.1 112.434 -179.196 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . 0.542 ' HB ' ' O ' ' A' ' 124' ' ' TYR . 2.9 t -93.84 4.34 54.07 Favored 'General case' 0 CA--C 1.519 -0.217 0 CA-C-O 122.146 0.974 . . . . 73.21 108.743 -173.814 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . 0.442 ' HB3' ' CD2' ' A' ' 119' ' ' HIS . 13.6 ptm180 -136.73 -46.5 0.6 Allowed 'General case' 0 N--CA 1.444 -0.739 0 CA-C-N 114.594 -1.184 . . . . 72.04 110.45 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 53.3 m-80 -78.57 -42.53 28.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.497 -0.32 . . . . 71.52 111.766 178.802 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -91.46 -39.02 12.2 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-O 120.899 0.381 . . . . 72.12 110.297 -176.08 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . 0.463 HG23 ' O ' ' A' ' 127' ' ' ALA . 90.4 t -98.89 126.25 52.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 70.22 109.886 -178.69 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -74.95 96.43 3.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.342 0.591 . . . . 45.42 111.399 -176.356 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 57.6 t -115.95 109.29 27.65 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.535 0 CA-C-N 115.392 -0.822 . . . . 75.02 109.973 175.384 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . 0.45 ' HB2' ' HA ' ' A' ' 98' ' ' GLU . 20.4 mmt180 -72.77 98.59 2.44 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.899 -0.592 . . . . 72.41 109.621 178.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.416 ' HA ' HD23 ' A' ' 136' ' ' LEU . 49.0 mt -74.86 100.28 4.03 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.551 0.691 . . . . 50.04 109.919 175.717 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . 0.527 ' O ' ' HA ' ' A' ' 100' ' ' ARG . 0.2 OUTLIER -109.59 111.66 37.12 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 CA-C-N 114.729 -1.123 . . . . 74.42 109.621 -179.022 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 4.1 m -96.65 138.85 20.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 115.564 -0.744 . . . . 53.11 110.097 -176.543 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.312 -1.04 0 CA-C-N 115.217 -0.901 . . . . 73.13 110.56 -175.858 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 16.8 ptt? . . . . . 0 CA--C 1.532 0.281 0 CA-C-O 120.537 0.208 . . . . 72.42 110.504 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 50.0 t30 -72.08 74.98 0.94 Allowed 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 121.281 0.562 . . . . 61.35 110.739 176.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . 0.548 HG21 ' HB2' ' B' ' 6' ' ' LYS . 30.8 mm -74.03 135.23 27.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.657 -0.701 . . . . 72.42 111.651 175.702 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.676 ' HG ' ' HD3' ' A' ' 87' ' ' PRO . 84.4 mt -95.47 -46.1 6.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.76 -0.654 . . . . 75.25 110.11 174.419 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 5' ' ' TYR . . . . . . . . . . . . . 24.5 t80 -132.05 130.34 41.2 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.961 -0.563 . . . . 75.45 109.491 -178.377 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . 0.548 ' HB2' HG21 ' B' ' 3' ' ' ILE . 38.6 ttmt -137.37 135.51 37.06 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.035 0.445 . . . . 65.01 111.134 177.756 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 5.3 t -134.99 142.27 46.42 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.601 -0.727 . . . . 72.52 109.279 178.327 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . 0.54 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . . . -109.18 152.93 24.48 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.946 0.403 . . . . 64.22 111.259 -174.28 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . 0.499 ' HA ' ' H ' ' B' ' 22' ' ' HIS . . . -139.17 116.93 11.5 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.053 -0.521 . . . . 31.45 110.446 175.154 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 27.4 m -95.05 124.41 39.08 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.783 -0.644 . . . . 64.31 110.132 -179.323 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 11' ' ' SER . . . . . 0.541 ' HA ' ' O ' ' B' ' 18' ' ' ARG . 57.4 p -131.35 115.77 16.69 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.596 0.236 . . . . 74.14 111.563 -177.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 11.3 m -94.54 158.32 15.59 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.926 -0.398 . . . . 53.42 109.926 176.196 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -89.24 59.61 3.81 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.897 -0.668 . . . . 71.12 111.771 177.356 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -47.35 -88.38 0.01 OUTLIER Glycine 0 C--N 1.342 0.893 0 O-C-N 123.905 0.415 . . . . 73.4 112.918 -177.771 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 10.1 tpp180 -88.96 -56.27 3.35 Favored 'General case' 0 C--O 1.238 0.5 0 N-CA-C 109.0 -0.741 . . . . 65.14 109.0 171.617 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 16' ' ' ASP . . . . . 0.57 ' HB3' ' HA ' ' B' ' 31' ' ' SER . 27.1 t70 -127.08 -43.38 1.66 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.305 -0.407 . . . . 65.33 110.431 169.034 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -161.05 148.03 15.43 Favored Glycine 0 C--N 1.344 0.975 0 C-N-CA 120.383 -0.913 . . . . 74.22 111.78 169.501 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 18' ' ' ARG . . . . . 0.541 ' O ' ' HA ' ' B' ' 11' ' ' SER . 0.7 OUTLIER -138.32 106.65 5.8 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 108.634 -0.876 . . . . 74.4 108.634 179.027 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 19' ' ' ALA . . . . . 0.568 ' HB2' ' HB2' ' A' ' 56' ' ' ALA . . . -103.81 123.83 47.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.052 0.453 . . . . 64.21 111.117 -173.399 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 24.3 m -125.31 112.57 16.51 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.706 -0.679 . . . . 75.11 109.816 177.015 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 21' ' ' SER . . . . . 0.544 ' HB3' ' N ' ' B' ' 26' ' ' LEU . 48.0 t -64.67 108.61 1.76 Allowed 'General case' 0 C--O 1.246 0.915 0 N-CA-C 107.071 -1.455 . . . . 74.21 107.071 175.343 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 22' ' ' HIS . . . . . 0.499 ' H ' ' HA ' ' B' ' 9' ' ' ALA . 15.4 t60 -53.85 -22.82 10.61 Favored 'General case' 0 C--N 1.346 0.433 0 O-C-N 126.622 2.451 . . . . 73.12 112.57 -164.683 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . 0.551 ' HB2' ' HG2' ' B' ' 25' ' ' LYS . 3.8 m-20 -80.57 19.33 0.82 Allowed 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 110.096 -0.335 . . . . 63.54 110.096 176.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . 0.402 ' H ' ' C ' ' B' ' 22' ' ' HIS . 87.9 mm-40 55.96 28.29 12.46 Favored 'General case' 0 CA--C 1.516 -0.34 0 CA-C-O 121.825 0.821 . . . . 71.43 110.189 -176.264 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.551 ' HG2' ' HB2' ' B' ' 23' ' ' ASP . 9.6 mmpt? -83.28 -27.47 29.82 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 114.573 -1.194 . . . . 41.25 109.497 175.817 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . 0.544 ' N ' ' HB3' ' B' ' 21' ' ' SER . 44.3 tp -150.69 147.01 26.83 Favored 'General case' 0 C--O 1.223 -0.306 0 C-N-CA 119.705 -0.798 . . . . 71.52 111.426 -178.358 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 65.8 t0 -152.04 99.64 2.56 Favored 'General case' 0 CA--C 1.532 0.253 0 O-C-N 123.471 0.482 . . . . 53.33 109.887 172.774 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 3.4 m -144.11 178.18 1.85 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.512 0 CA-C-N 115.533 -0.758 . . . . 74.12 111.657 179.016 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.54 ' HA ' ' HA ' ' B' ' 18' ' ' ARG . 0.0 OUTLIER -135.15 145.68 48.04 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.279 -0.873 . . . . 64.31 110.193 179.598 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . 0.742 ' HA ' ' H ' ' B' ' 44' ' ' THR . 0.0 OUTLIER -131.6 160.53 35.08 Favored 'General case' 0 C--O 1.252 1.233 0 CA-C-O 121.006 0.432 . . . . 72.32 110.437 175.788 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . 0.57 ' HA ' ' HB3' ' B' ' 16' ' ' ASP . 39.6 m -162.4 137.92 7.23 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 115.423 -0.808 . . . . 62.35 110.901 -176.779 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -72.96 115.02 36.06 Favored Pre-proline 0 C--O 1.237 0.432 0 CA-C-N 115.942 -0.572 . . . . 75.13 109.629 171.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 33' ' ' PRO . . . . . 0.725 ' HG2' ' HG3' ' B' ' 35' ' ' GLU . 36.6 Cg_endo -65.81 -159.54 0.04 OUTLIER 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.394 2.063 . . . . 71.3 111.535 178.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -110.24 48.24 0.91 Allowed 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.734 0.778 . . . . 71.43 109.102 178.576 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . 0.725 ' HG3' ' HG2' ' B' ' 33' ' ' PRO . 0.1 OUTLIER -48.27 -68.57 0.17 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 114.167 -1.378 . . . . 72.42 110.07 178.345 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.622 HD22 ' HB2' ' B' ' 35' ' ' GLU . 2.4 mm? -114.39 -32.9 5.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.141 -0.936 . . . . 63.52 109.08 174.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 173.09 46.66 0.05 OUTLIER Glycine 0 N--CA 1.448 -0.526 0 CA-C-N 115.757 -0.656 . . . . 51.22 112.495 -179.442 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -79.65 -122.67 0.4 Allowed Glycine 0 C--N 1.334 0.435 0 C-N-CA 120.859 -0.686 . . . . 64.12 111.668 177.411 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -108.52 -37.82 5.84 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.178 0.513 . . . . 71.25 110.539 179.803 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 86.49 78.37 1.22 Allowed Glycine 0 N--CA 1.451 -0.334 0 CA-C-N 115.655 -0.702 . . . . 53.13 111.757 -179.168 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . 0.411 ' H ' ' HA ' ' B' ' 33' ' ' PRO . . . -146.46 168.95 19.92 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.658 0.266 . . . . 45.11 110.958 -174.578 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -88.05 10.12 20.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.907 -0.588 . . . . 74.14 111.358 -176.371 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -77.55 -172.96 39.11 Favored Glycine 0 C--O 1.236 0.249 0 C-N-CA 121.189 -0.529 . . . . 72.12 113.02 -176.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 44' ' ' THR . . . . . 0.742 ' H ' ' HA ' ' B' ' 30' ' ' LEU . 29.3 m -98.01 147.3 24.65 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 110.158 -0.312 . . . . 35.03 110.158 -179.629 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 45' ' ' ASN . . . . . 0.413 ' HB3' ' OE1' ' B' ' 47' ' ' GLU . 10.6 m120 -65.7 125.38 89.66 Favored Pre-proline 0 CA--C 1.533 0.302 0 CA-C-N 116.404 -0.362 . . . . 71.14 110.716 179.177 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 46' ' ' PRO . . . . . 0.406 ' HB3' ' HB2' ' A' ' 57' ' ' CYS . 50.0 Cg_exo -55.19 -54.52 4.23 Favored 'Trans proline' 0 C--N 1.352 0.761 0 C-N-CA 122.999 2.466 . . . . 54.41 112.749 178.137 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 47' ' ' GLU . . . . . 0.413 ' OE1' ' HB3' ' B' ' 45' ' ' ASN . 0.0 OUTLIER -62.64 -38.85 91.89 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 116.265 -0.425 . . . . 73.03 110.399 -179.528 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . 0.826 HE21 ' HB2' ' A' ' 9' ' ' ALA . 22.0 tm0? -61.1 -43.2 99.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.101 -0.5 . . . . 65.22 110.074 176.318 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 49' ' ' LEU . . . . . 0.55 HD12 ' HA3' ' A' ' 53' ' ' GLY . 2.1 tm? -59.38 -48.38 81.85 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.457 -0.571 . . . . 73.15 109.457 -178.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 16.5 t80 -57.57 -46.54 83.84 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 115.926 -0.579 . . . . 74.53 110.748 176.184 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.97 -50.19 75.03 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.263 -0.426 . . . . 63.22 111.104 -179.524 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.85 -44.53 96.87 Favored 'General case' 0 C--O 1.237 0.423 0 CA-C-N 116.099 -0.5 . . . . 74.31 111.076 -179.216 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . 0.498 ' HA3' HD12 ' A' ' 49' ' ' LEU . . . -65.73 -33.94 87.42 Favored Glycine 0 C--N 1.33 0.247 0 CA-C-N 115.93 -0.577 . . . . 73.22 111.947 177.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -68.64 -47.56 66.27 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 110.073 -0.343 . . . . 73.14 110.073 179.188 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 55' ' ' SER . . . . . 0.544 ' HB3' ' HB2' ' B' ' 81' ' ' ALA . 19.0 p -62.71 -43.68 98.18 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.355 -0.384 . . . . 71.55 110.269 178.638 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 56' ' ' ALA . . . . . 0.509 ' HB2' ' HB2' ' A' ' 19' ' ' ALA . . . -65.41 -39.83 92.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 72.32 110.512 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 57' ' ' CYS . . . . . . . . . . . . . 43.9 t -62.32 -36.71 83.0 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.915 -0.584 . . . . 72.4 109.756 176.562 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -59.54 -40.76 88.29 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-N 115.683 -0.689 . . . . 52.32 110.385 179.545 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . 0.476 ' O ' ' HG2' ' B' ' 63' ' ' LYS . 4.4 mm? -61.35 -63.43 1.29 Allowed 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 116.304 -0.407 . . . . 64.41 110.598 177.274 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 23.3 m -54.18 -41.14 68.21 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-N 116.226 -0.443 . . . . 73.23 110.95 -178.434 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -59.04 -48.4 81.72 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.956 -0.565 . . . . 44.1 110.45 178.063 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 62' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -62.76 -35.47 79.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.339 -0.391 . . . . 71.0 111.184 179.846 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . 0.476 ' HG2' ' O ' ' B' ' 59' ' ' LEU . 10.2 mmpt? -62.75 -50.34 71.45 Favored 'General case' 0 N--CA 1.464 0.249 0 N-CA-C 109.809 -0.441 . . . . 72.03 109.809 178.548 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 84.3 t80 -64.19 -52.82 57.06 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 115.689 -0.687 . . . . 73.11 111.051 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 54.8 t -55.4 -47.61 77.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.933 -0.576 . . . . 75.05 111.138 -178.017 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -55.21 -35.07 64.49 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.315 0.578 . . . . 74.13 110.272 178.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -68.89 -29.72 72.5 Favored Glycine 0 N--CA 1.452 -0.235 0 CA-C-N 115.124 -0.944 . . . . 75.04 112.503 -175.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -99.09 -13.38 19.85 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.94 0.4 . . . . 64.5 109.999 179.304 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -88.81 -1.82 58.28 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 115.589 -0.732 . . . . 65.21 110.857 179.275 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 2.2 mptp? 64.97 34.62 8.81 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-O 121.251 0.548 . . . . 73.12 110.761 179.426 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -135.25 162.55 32.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.634 -0.712 . . . . 74.24 110.001 178.707 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 2.6 p -125.0 128.18 48.17 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.017 0.437 . . . . 74.12 110.923 178.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 72.0 mt -109.41 137.9 20.4 Favored Pre-proline 0 C--N 1.327 -0.402 0 CA-C-N 115.712 -0.677 . . . . 75.15 109.598 177.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 74' ' ' PRO . . . . . 0.406 ' O ' HG22 ' B' ' 77' ' ' THR . 52.4 Cg_exo -55.82 151.53 39.99 Favored 'Trans proline' 0 C--N 1.349 0.556 0 C-N-CA 123.298 2.665 . . . . 62.01 113.761 -172.832 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -77.7 -31.15 52.21 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.468 0.651 . . . . 71.53 110.991 173.079 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -80.95 21.96 0.65 Allowed 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 115.326 -0.852 . . . . 60.22 111.644 -172.55 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 77' ' ' THR . . . . . 0.406 HG22 ' O ' ' B' ' 74' ' ' PRO . 6.2 t -93.3 156.94 16.5 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.303 -0.408 . . . . 73.25 110.997 -178.649 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 78' ' ' THR . . . . . 0.58 HG22 ' HA ' ' A' ' 12' ' ' THR . 2.2 p -139.07 150.79 46.14 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.886 -0.597 . . . . 71.23 111.112 -179.494 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 79' ' ' VAL . . . . . 0.443 ' HA ' ' O ' ' B' ' 100' ' ' ARG . 62.5 t -133.2 115.59 23.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 115.613 -0.721 . . . . 54.24 109.426 174.843 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 80' ' ' THR . . . . . 0.404 ' HA ' ' HA ' ' A' ' 10' ' ' THR . 25.4 m -102.6 110.67 22.68 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.041 -0.527 . . . . 72.42 110.894 -177.296 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 81' ' ' ALA . . . . . 0.544 ' HB2' ' HB3' ' B' ' 55' ' ' SER . . . -93.38 111.57 23.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.994 -0.548 . . . . 73.43 109.664 176.438 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 82' ' ' GLU . . . . . 0.559 ' HG2' ' HD3' ' A' ' 6' ' ' LYS . 26.2 tt0 -111.83 107.67 16.79 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 108.769 -0.826 . . . . 71.23 108.769 178.745 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . 0.414 ' O ' ' HG3' ' A' ' 6' ' ' LYS . 10.5 p -108.57 141.1 24.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 71.44 111.103 -170.728 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 84' ' ' GLY . . . . . 0.43 ' HA2' ' HA ' ' A' ' 6' ' ' LYS . . . -138.08 168.23 24.65 Favored Glycine 0 N--CA 1.443 -0.896 0 C-N-CA 121.027 -0.606 . . . . 52.45 112.433 179.563 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -137.34 132.49 45.92 Favored 'Isoleucine or valine' 0 C--O 1.244 0.804 0 N-CA-C 108.674 -0.861 . . . . 73.1 108.674 -178.266 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 86' ' ' GLY . . . . . 0.496 ' HA2' ' HG ' ' A' ' 4' ' ' LEU . . . -148.76 169.82 29.24 Favored Glycine 0 C--N 1.33 0.202 0 O-C-N 124.238 0.961 . . . . 52.3 111.443 -178.069 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 87' ' ' PRO . . . . . 0.662 ' HD3' ' HG ' ' A' ' 4' ' ' LEU . 1.9 Cg_endo -80.76 121.23 4.06 Favored 'Trans proline' 0 N--CA 1.457 -0.668 0 C-N-CA 122.722 2.281 . . . . 61.3 112.311 -177.478 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 88' ' ' ASN . . . . . . . . . . . . . 53.7 t-20 -70.74 138.75 50.77 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 108.892 -0.781 . . . . 72.3 108.892 175.192 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -60.21 -20.09 57.21 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.076 0.465 . . . . 65.22 111.178 -178.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -69.09 -18.9 64.04 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 115.753 -0.658 . . . . 74.05 111.221 177.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.47 35.12 3.41 Favored Glycine 0 C--N 1.324 -0.103 0 CA-C-N 115.891 -0.595 . . . . 72.2 112.442 179.371 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . -141.86 -157.13 7.05 Favored Glycine 0 N--CA 1.451 -0.325 0 N-CA-C 110.79 -0.924 . . . . 70.13 110.79 176.394 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 93' ' ' PHE . . . . . 0.422 ' HE1' ' CZ ' ' A' ' 64' ' ' PHE . 67.6 m-85 -108.16 159.56 16.5 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 117.203 0.502 . . . . 73.12 110.123 176.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -144.66 141.54 29.43 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.108 -0.496 . . . . 62.21 110.166 -179.522 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -101.74 138.49 38.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.8 -0.637 . . . . 74.21 110.229 179.11 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 96' ' ' ASP . . . . . 0.644 ' HB3' HD11 ' A' ' 3' ' ' ILE . 34.7 t70 -138.6 110.8 7.36 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.323 -0.853 . . . . 73.53 109.704 -174.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 97' ' ' VAL . . . . . 0.602 HG13 HG13 ' B' ' 134' ' ' VAL . 3.9 p -128.21 128.9 69.1 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.902 0 CA-C-O 121.378 0.608 . . . . 65.34 112.076 -174.78 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 98' ' ' GLU . . . . . 0.442 ' HG3' ' HB3' ' B' ' 135' ' ' ARG . 1.5 mp0 -95.85 122.7 38.93 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.252 -0.885 . . . . 74.42 109.573 175.607 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 99' ' ' LEU . . . . . 0.478 ' HB2' HD23 ' B' ' 136' ' ' LEU . 70.5 mt -100.04 107.44 19.36 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.216 -0.661 . . . . 61.12 109.216 174.643 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 100' ' ' ARG . . . . . 0.526 ' HA ' ' O ' ' B' ' 137' ' ' VAL . 61.6 mtt85 -98.99 112.52 24.61 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.198 -0.455 . . . . 64.11 109.862 -176.596 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 101' ' ' VAL . . . . . . . . . . . . . 96.2 t -102.51 100.69 10.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.088 -0.505 . . . . 60.12 110.824 -174.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 102' ' ' ALA . . . . . 0.519 ' HA ' ' HB3' ' B' ' 139' ' ' ALA . . . -94.42 101.34 13.26 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.626 -0.509 . . . . 53.32 109.626 176.674 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 103' ' ' LEU . . . . . 0.403 ' HB2' HD23 ' B' ' 106' ' ' LEU . 13.1 mt -112.86 111.43 51.16 Favored Pre-proline 0 C--N 1.327 -0.382 0 CA-C-N 115.668 -0.696 . . . . 72.24 109.92 -178.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 104' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -70.98 147.77 55.71 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.697 2.265 . . . . 74.24 112.779 -179.461 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 105' ' ' GLY . . . . . . . . . . . . . . . 69.69 15.17 70.81 Favored Glycine 0 CA--C 1.521 0.408 0 CA-C-N 115.38 -0.827 . . . . 72.34 112.808 179.412 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 106' ' ' LEU . . . . . 0.412 HD21 ' HA ' ' B' ' 111' ' ' ALA . 23.9 tp -123.44 139.97 53.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.883 0.373 . . . . 60.53 111.176 -176.812 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -74.78 144.01 43.77 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.866 -0.606 . . . . 63.12 110.051 175.305 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 108' ' ' ALA . . . . . 0.453 ' O ' ' HG3' ' B' ' 112' ' ' LYS . . . -62.94 -38.5 91.26 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.836 0.35 . . . . 34.32 110.531 178.515 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -57.02 -51.74 68.03 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 115.948 -0.569 . . . . 64.51 110.66 179.373 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 110' ' ' ALA . . . . . 0.527 ' O ' HG22 ' B' ' 113' ' ' THR . . . -67.91 -38.59 83.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.108 -0.496 . . . . 72.03 110.551 178.174 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 111' ' ' ALA . . . . . 0.417 ' O ' HG23 ' B' ' 115' ' ' VAL . . . -55.43 -39.3 70.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.697 -0.683 . . . . 64.14 110.817 -179.321 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 112' ' ' LYS . . . . . 0.453 ' HG3' ' O ' ' B' ' 108' ' ' ALA . 68.5 mttm -52.99 -47.91 67.88 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.093 -0.503 . . . . 74.45 110.703 176.741 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 113' ' ' THR . . . . . 0.527 HG22 ' O ' ' B' ' 110' ' ' ALA . 0.7 OUTLIER -74.05 -33.4 63.69 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 116.446 -0.343 . . . . 72.03 110.708 -176.174 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 44.8 mt -66.9 -45.44 77.97 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-O 120.798 0.332 . . . . 70.23 110.42 179.183 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 115' ' ' VAL . . . . . 0.562 HG21 HG12 ' B' ' 138' ' ' VAL . 94.8 t -65.77 -36.02 76.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.165 -0.47 . . . . 63.55 110.059 177.288 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -58.8 -59.89 4.72 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 116.22 -0.445 . . . . 75.43 110.632 177.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 117' ' ' ARG . . . . . . . . . . . . . 10.6 ptm180 -60.49 -43.13 97.34 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 115.959 -0.564 . . . . 70.2 110.802 -177.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -63.33 -39.62 95.05 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.096 0.474 . . . . 61.11 110.784 179.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 119' ' ' HIS . . . . . 0.596 ' CE1' HG23 ' B' ' 128' ' ' THR . 28.8 t-80 -87.77 10.12 19.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.806 -0.634 . . . . 74.31 110.172 -178.369 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 5.0 t60 -107.53 -32.59 7.64 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.696 -0.683 . . . . 61.52 109.535 176.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 33.1 m -100.96 7.94 9.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.874 -0.603 . . . . 63.42 111.396 -177.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 122' ' ' CYS . . . . . 0.626 ' SG ' HG21 ' B' ' 128' ' ' THR . 18.8 p -65.66 140.88 97.6 Favored Pre-proline 0 CA--C 1.533 0.312 0 CA-C-N 116.444 -0.344 . . . . 74.53 110.688 -179.73 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 123' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_endo -64.02 -6.83 11.98 Favored 'Trans proline' 0 C--N 1.353 0.766 0 C-N-CA 122.788 2.325 . . . . 65.25 112.833 -177.492 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 124' ' ' TYR . . . . . . . . . . . . . 55.0 m-85 -88.02 15.74 6.92 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-O 121.126 0.489 . . . . 65.35 110.106 177.592 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 125' ' ' SER . . . . . . . . . . . . . 9.3 t 77.5 168.02 0.23 Allowed 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 115.106 -0.952 . . . . 64.23 111.804 172.325 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 126' ' ' ASN . . . . . 0.518 ' O ' ' HG2' ' B' ' 129' ' ' ARG . 58.1 t30 -72.83 -31.03 64.5 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-O 121.623 0.725 . . . . 74.24 109.85 178.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 127' ' ' ALA . . . . . 0.522 ' O ' ' HB3' ' B' ' 131' ' ' ASN . . . -63.09 6.81 0.1 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.009 -0.996 . . . . 65.3 112.553 -179.762 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 128' ' ' THR . . . . . 0.626 HG21 ' SG ' ' B' ' 122' ' ' CYS . 14.9 t -89.85 -12.37 39.26 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 108.159 -1.052 . . . . 55.14 108.159 -173.326 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 129' ' ' ARG . . . . . 0.518 ' HG2' ' O ' ' B' ' 126' ' ' ASN . 23.5 ptt180 -118.06 -48.2 2.55 Favored 'General case' 0 N--CA 1.445 -0.693 0 CA-C-N 114.821 -1.081 . . . . 75.21 111.139 -178.712 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 130' ' ' ASN . . . . . 0.445 ' N ' ' HG3' ' B' ' 129' ' ' ARG . 6.6 m120 -78.81 -35.5 44.11 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.351 -0.386 . . . . 74.14 110.975 -175.04 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 131' ' ' ASN . . . . . 0.522 ' HB3' ' O ' ' B' ' 127' ' ' ALA . 3.1 t-20 -92.2 -42.4 9.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.903 -0.589 . . . . 75.43 110.991 -175.293 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 132' ' ' VAL . . . . . 0.418 HG23 ' O ' ' B' ' 127' ' ' ALA . 48.3 t -96.57 146.21 7.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.783 -0.644 . . . . 52.13 110.633 -175.229 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 133' ' ' ALA . . . . . . . . . . . . . . . -79.35 82.26 5.52 Favored 'General case' 0 C--O 1.239 0.526 0 CA-C-O 122.025 0.916 . . . . 72.23 111.078 -178.405 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 134' ' ' VAL . . . . . 0.602 HG13 HG13 ' B' ' 97' ' ' VAL . 24.1 t -119.56 105.97 18.31 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.751 0 CA-C-N 114.594 -1.184 . . . . 61.1 109.947 176.393 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 135' ' ' ARG . . . . . 0.442 ' HB3' ' HG3' ' B' ' 98' ' ' GLU . 0.1 OUTLIER -78.98 103.12 8.71 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.357 -0.609 . . . . 74.32 109.357 -178.943 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 136' ' ' LEU . . . . . 0.478 HD23 ' HB2' ' B' ' 99' ' ' LEU . 71.5 mt -74.67 114.66 13.35 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.277 -0.419 . . . . 72.41 110.247 175.81 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 137' ' ' VAL . . . . . 0.526 ' O ' ' HA ' ' B' ' 100' ' ' ARG . 0.2 OUTLIER -123.57 117.49 51.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 115.388 -0.824 . . . . 72.22 109.79 -178.753 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 138' ' ' VAL . . . . . 0.562 HG12 HG21 ' B' ' 115' ' ' VAL . 3.2 m -97.6 138.51 22.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 115.895 -0.593 . . . . 70.52 109.724 -178.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 139' ' ' ALA . . . . . 0.519 ' HB3' ' HA ' ' B' ' 102' ' ' ALA . . . . . . . . 0 C--O 1.251 1.166 0 CA-C-N 115.969 -0.56 . . . . 71.35 110.284 -175.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.6 ptt? . . . . . 0 N--CA 1.484 1.274 0 N-CA-C 110.35 -0.241 . . . . 71.43 110.35 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.511 HD22 ' HD2' ' B' ' 87' ' ' PRO . 22.4 t30 -73.01 75.79 1.2 Allowed 'General case' 0 CA--C 1.536 0.417 0 CA-C-O 121.35 0.595 . . . . 75.52 110.773 177.474 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.551 HG21 ' HB2' ' A' ' 6' ' ' LYS . 25.0 mm -75.66 142.15 14.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.61 -0.723 . . . . 51.02 111.693 176.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.701 ' HG ' ' HD3' ' B' ' 87' ' ' PRO . 90.8 mt -94.13 -46.58 7.04 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.621 -0.718 . . . . 74.21 109.997 172.108 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 54.5 t80 -137.41 131.92 32.71 Favored 'General case' 0 C--O 1.223 -0.302 0 CA-C-N 116.259 -0.428 . . . . 54.43 110.091 -178.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.551 ' HB2' HG21 ' A' ' 3' ' ' ILE . 30.7 ttmt -138.21 135.23 35.39 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.513 -0.312 . . . . 62.42 110.418 179.285 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 8.8 t -132.83 144.14 50.02 Favored 'General case' 0 C--O 1.239 0.535 0 CA-C-N 115.999 -0.546 . . . . 73.02 109.918 -178.19 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.448 ' HA ' ' HA ' ' B' ' 82' ' ' GLU . . . -111.37 151.44 28.46 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-O 121.353 0.597 . . . . 64.34 111.759 -174.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.427 ' HB2' ' HG2' ' B' ' 48' ' ' GLN . . . -151.45 117.87 5.67 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.463 -0.79 . . . . 65.14 109.965 176.791 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.561 ' HA ' ' HA ' ' B' ' 80' ' ' THR . 12.4 t -100.06 133.39 44.52 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.843 -0.617 . . . . 73.43 109.56 -177.493 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 76.4 p -117.35 113.23 21.82 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.417 -0.356 . . . . 71.32 110.587 -177.395 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 4.7 m -90.48 158.41 17.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.483 . . . . 72.12 111.216 -178.345 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -83.55 73.57 2.65 Favored Glycine 0 N--CA 1.447 -0.625 0 C-N-CA 121.041 -0.599 . . . . 62.44 112.066 175.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -70.85 -123.22 0.05 OUTLIER Glycine 0 CA--C 1.52 0.349 0 C-N-CA 121.346 -0.454 . . . . 62.02 112.438 178.33 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.63 ' HA ' ' HE ' ' A' ' 15' ' ' ARG . 0.1 OUTLIER -61.44 -55.15 34.52 Favored 'General case' 0 N--CA 1.462 0.155 0 N-CA-C 108.789 -0.819 . . . . 73.04 108.789 175.182 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.593 ' HB3' ' HA ' ' A' ' 31' ' ' SER . 26.2 t0 -125.73 -42.53 1.92 Allowed 'General case' 0 CA--C 1.511 -0.542 0 CA-C-N 115.2 -0.909 . . . . 74.22 108.685 167.217 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -161.7 166.81 36.24 Favored Glycine 0 N--CA 1.439 -1.115 0 C-N-CA 119.715 -1.231 . . . . 73.12 112.163 173.7 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.679 ' HA ' ' HA ' ' A' ' 29' ' ' LYS . 14.8 mtm180 -130.83 171.31 13.29 Favored 'General case' 0 C--N 1.311 -1.069 0 N-CA-C 109.256 -0.646 . . . . 73.24 109.256 173.214 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.609 ' HB1' ' HB1' ' B' ' 52' ' ' ALA . . . -149.15 123.02 9.32 Favored 'General case' 0 C--N 1.313 -1.009 0 N-CA-C 108.646 -0.872 . . . . 71.12 108.646 173.715 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 29.0 m -135.73 110.27 8.56 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 116.162 -0.472 . . . . 63.53 110.38 -177.014 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.569 ' HB3' ' N ' ' A' ' 26' ' ' LEU . 48.0 t -68.67 107.21 2.89 Favored 'General case' 0 C--O 1.245 0.857 0 N-CA-C 106.866 -1.531 . . . . 62.3 106.866 176.466 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.419 ' C ' ' H ' ' A' ' 24' ' ' GLN . 19.4 t-80 -60.56 -14.91 22.75 Favored 'General case' 0 C--N 1.343 0.302 0 O-C-N 125.748 1.905 . . . . 71.44 111.658 -168.817 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.54 ' HB2' ' HE2' ' A' ' 25' ' ' LYS . 13.5 m-20 -80.4 13.4 2.45 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.126 -0.694 . . . . 73.43 109.126 175.288 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.419 ' H ' ' C ' ' A' ' 22' ' ' HIS . 26.0 mm-40 65.48 30.27 10.84 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 115.052 -0.976 . . . . 72.53 109.722 178.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.54 ' HE2' ' HB2' ' A' ' 23' ' ' ASP . 55.0 mtmt -98.23 -19.09 18.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 114.892 -1.049 . . . . 73.44 110.73 178.683 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.569 ' N ' ' HB3' ' A' ' 21' ' ' SER . 43.6 tp -152.6 148.06 26.89 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 119.956 -0.698 . . . . 74.42 111.887 178.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -159.55 99.97 1.46 Allowed 'General case' 0 N--CA 1.468 0.452 0 O-C-N 123.696 0.622 . . . . 74.13 110.138 174.341 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 4.1 m -145.73 178.26 1.34 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 C-N-CA 122.903 0.481 . . . . 62.12 111.776 -178.65 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.679 ' HA ' ' HA ' ' A' ' 18' ' ' ARG . 13.1 ttmt -132.3 144.78 50.82 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.39 -0.823 . . . . 62.42 110.387 179.563 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.544 ' N ' HD13 ' A' ' 30' ' ' LEU . 0.0 OUTLIER -128.33 161.43 29.42 Favored 'General case' 0 C--O 1.254 1.304 0 CA-C-O 121.108 0.48 . . . . 64.12 110.582 175.301 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.593 ' HA ' ' HB3' ' A' ' 16' ' ' ASP . 49.0 m -156.8 135.12 11.33 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 115.409 -0.814 . . . . 75.34 110.59 -176.022 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -79.23 140.67 56.98 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-N 116.139 -0.482 . . . . 52.21 110.202 176.605 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.725 ' HB2' ' HG2' ' A' ' 35' ' ' GLU . 39.9 Cg_endo -65.47 150.07 87.23 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.324 2.016 . . . . 73.33 111.181 178.839 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.67 ' HB2' ' HA3' ' A' ' 40' ' ' GLY . 5.3 tpt180 -82.43 3.65 27.3 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.635 0.255 . . . . 50.12 110.365 -174.781 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.725 ' HG2' ' HB2' ' A' ' 33' ' ' PRO . 16.3 mm-40 -42.46 -61.48 1.2 Allowed 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 115.636 -0.711 . . . . 75.14 111.291 178.324 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 7.4 mp -95.9 13.26 27.41 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.437 -0.802 . . . . 63.44 110.734 -177.241 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 94.1 32.78 7.28 Favored Glycine 0 C--N 1.33 0.234 0 CA-C-N 115.983 -0.553 . . . . 72.22 112.341 -177.637 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -73.77 -123.04 0.09 OUTLIER Glycine 0 C--N 1.333 0.372 0 C-N-CA 121.345 -0.455 . . . . 73.44 112.366 178.059 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -117.41 -17.57 10.06 Favored 'General case' 0 C--N 1.332 -0.179 0 O-C-N 122.459 -0.436 . . . . 63.22 112.1 -179.06 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.67 ' HA3' ' HB2' ' A' ' 34' ' ' ARG . . . 53.95 78.13 0.12 Allowed Glycine 0 C--N 1.333 0.38 0 O-C-N 123.279 0.362 . . . . 45.53 113.979 175.625 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -162.5 -178.81 6.49 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.206 0.527 . . . . 44.21 111.71 178.534 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -88.25 81.15 7.38 Favored 'General case' 0 CA--C 1.515 -0.395 0 CA-C-N 115.283 -0.871 . . . . 71.23 110.407 -177.224 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -148.4 177.21 26.8 Favored Glycine 0 C--N 1.309 -0.954 0 CA-C-N 114.503 -1.226 . . . . 55.55 111.908 178.56 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.522 ' H ' ' HA ' ' A' ' 30' ' ' LEU . 25.5 m -87.6 152.44 22.18 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.646 -0.502 . . . . 74.01 109.646 179.152 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.592 ' ND2' ' HD3' ' A' ' 33' ' ' PRO . 5.6 m120 -86.26 122.28 72.34 Favored Pre-proline 0 C--N 1.326 -0.447 0 N-CA-C 108.946 -0.761 . . . . 72.33 108.946 178.516 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 6.6 Cg_endo -47.06 -52.55 7.61 Favored 'Trans proline' 0 C--N 1.349 0.581 0 C-N-CA 123.195 2.597 . . . . 63.04 112.912 -174.381 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -66.27 -32.92 74.63 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.086 0.47 . . . . 62.13 110.505 -176.683 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 9.9 tt0 -69.97 -30.83 68.28 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.146 0.498 . . . . 72.35 109.962 177.045 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.414 HD12 ' HA3' ' B' ' 53' ' ' GLY . 3.0 tm? -67.2 -44.06 80.56 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 108.753 -0.832 . . . . 71.11 108.753 177.066 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 36.6 t80 -60.52 -45.62 93.14 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 115.893 -0.594 . . . . 64.45 110.566 174.234 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -53.09 -50.53 64.23 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-O 120.864 0.364 . . . . 52.03 111.367 176.552 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.61 -47.36 85.87 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 116.106 -0.497 . . . . 51.43 110.511 179.406 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.56 ' HA3' HD12 ' B' ' 49' ' ' LEU . . . -63.52 -35.58 92.24 Favored Glycine 0 C--O 1.226 -0.388 0 CA-C-N 115.69 -0.686 . . . . 45.35 112.264 179.369 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -64.0 -47.92 78.44 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.315 -0.624 . . . . 71.4 109.315 179.565 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 18.4 m -61.24 -47.57 85.46 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.832 -0.622 . . . . 50.31 110.352 178.56 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.602 ' HB1' HD21 ' B' ' 30' ' ' LEU . . . -64.17 -42.69 96.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.482 -0.781 . . . . 72.41 111.314 -178.422 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.598 ' SG ' ' HB3' ' B' ' 46' ' ' PRO . 74.4 m -67.99 -38.9 83.21 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.442 -0.344 . . . . 74.4 110.284 -179.864 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 29.8 t80 -63.03 -41.16 99.45 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.961 -0.563 . . . . 64.12 109.52 179.789 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -68.38 -49.77 57.73 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 115.434 -0.803 . . . . 74.12 110.461 -178.488 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.616 ' HA ' ' HD3' ' A' ' 63' ' ' LYS . 24.6 t -63.62 -44.59 93.46 Favored 'General case' 0 C--O 1.24 0.569 0 CA-C-O 121.068 0.461 . . . . 74.4 110.348 -178.772 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -60.08 -42.56 94.85 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 116.256 -0.429 . . . . 64.15 110.003 177.004 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . 0.557 ' HG3' HD11 ' A' ' 73' ' ' LEU . 3.2 tpt -58.23 -38.13 76.22 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 115.677 -0.692 . . . . 61.32 110.118 177.194 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.616 ' HD3' ' HA ' ' A' ' 60' ' ' SER . 25.6 mtpp -61.7 -50.03 74.11 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 115.869 -0.605 . . . . 62.32 110.333 176.605 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 50.6 t80 -58.07 -46.98 84.54 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 116.132 -0.485 . . . . 70.35 110.73 177.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 54.1 t -56.99 -42.64 79.5 Favored 'Isoleucine or valine' 0 C--O 1.236 0.39 0 CA-C-N 115.906 -0.588 . . . . 51.41 110.931 179.583 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.466 ' HA ' ' HG3' ' A' ' 71' ' ' GLN . . . -57.31 -32.33 66.57 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.293 0.568 . . . . 55.45 110.374 177.809 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -72.29 -26.56 71.79 Favored Glycine 0 N--CA 1.452 -0.291 0 CA-C-N 115.185 -0.916 . . . . 65.01 112.653 -176.21 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -97.72 -23.41 15.94 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.162 0.506 . . . . 73.33 109.742 -178.197 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 25.4 m-80 -89.24 -0.48 57.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.454 -0.794 . . . . 73.35 111.395 179.586 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 9.3 mptt 62.4 26.52 15.83 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 116.148 -0.478 . . . . 70.5 111.54 176.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.466 ' HG3' ' HA ' ' A' ' 66' ' ' ALA . 1.3 pt20 -111.88 169.58 8.74 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.005 -0.543 . . . . 65.11 110.447 -179.349 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 26.8 p -123.08 141.37 52.04 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-N 116.299 -0.409 . . . . 71.13 110.862 -178.314 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.557 HD11 ' HG3' ' A' ' 62' ' ' MET . 95.9 mt -109.4 142.74 26.31 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 116.19 -0.459 . . . . 63.13 110.964 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.52 ' O ' HG22 ' A' ' 77' ' ' THR . 19.3 Cg_exo -67.02 141.35 57.68 Favored 'Trans proline' 0 C--N 1.349 0.559 0 C-N-CA 122.845 2.363 . . . . 75.32 112.015 177.551 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -77.06 -15.35 59.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.429 0.633 . . . . 74.43 110.895 178.799 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -91.98 12.37 22.05 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.156 -0.929 . . . . 72.44 112.12 -172.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.52 HG22 ' O ' ' A' ' 74' ' ' PRO . 8.6 t -89.07 153.49 20.94 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.17 0.51 . . . . 73.42 111.986 -175.674 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.0 p -144.38 154.38 42.93 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.43 -0.805 . . . . 65.01 110.583 179.424 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 84.8 t -130.51 123.77 55.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 115.866 -0.606 . . . . 73.54 109.4 175.377 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 32.6 m -113.46 110.93 21.1 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.356 -0.384 . . . . 61.0 110.558 -178.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -93.11 107.09 18.96 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.228 -0.442 . . . . 75.0 109.827 177.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.469 ' HA ' ' HA ' ' B' ' 8' ' ' ALA . 36.3 tt0 -104.95 107.71 18.83 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.056 -0.72 . . . . 74.0 109.056 -179.264 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.404 HG12 ' HB ' ' A' ' 97' ' ' VAL . 24.8 m -101.69 141.21 18.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.377 -0.374 . . . . 74.25 111.441 -173.258 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -130.94 153.14 20.18 Favored Glycine 0 N--CA 1.444 -0.819 0 N-CA-C 111.222 -0.751 . . . . 64.22 111.222 176.047 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -132.7 133.0 59.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 N-CA-C 109.327 -0.62 . . . . 71.32 109.327 -179.39 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -149.03 169.96 29.42 Favored Glycine 0 N--CA 1.453 -0.174 0 CA-C-N 115.495 -0.775 . . . . 64.2 111.168 179.758 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.503 ' HD3' ' HG ' ' B' ' 4' ' ' LEU . 62.1 Cg_endo -72.83 138.06 28.14 Favored 'Trans proline' 0 N--CA 1.461 -0.399 0 C-N-CA 122.186 1.924 . . . . 75.13 111.855 -178.126 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 54.4 t-20 -83.6 139.48 32.81 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.049 -0.722 . . . . 63.43 109.049 178.316 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -62.53 -16.56 56.57 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.956 0.408 . . . . 74.31 110.725 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -68.38 -19.39 64.62 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 115.527 -0.761 . . . . 62.35 111.047 175.379 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.31 34.87 3.52 Favored Glycine 0 CA--C 1.518 0.223 0 CA-C-N 115.813 -0.631 . . . . 52.42 111.963 -177.481 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -144.7 -135.61 2.92 Favored Glycine 0 C--N 1.331 0.255 0 N-CA-C 111.473 -0.651 . . . . 74.12 111.473 178.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 -126.21 163.17 23.76 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.917 -0.401 . . . . 72.25 109.917 178.2 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -150.61 147.13 27.04 Favored 'General case' 0 C--O 1.239 0.527 0 CA-C-N 116.345 -0.389 . . . . 73.43 110.497 -177.502 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -113.76 134.88 54.5 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 115.404 -0.816 . . . . 75.45 109.775 -176.274 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.481 ' HB2' ' SD ' ' B' ' 1' ' ' MET . 11.4 t70 -133.07 112.11 11.52 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.125 -0.694 . . . . 62.1 109.125 -178.243 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.417 ' O ' ' HA ' ' A' ' 134' ' ' VAL . 2.4 p -113.99 117.72 56.31 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.258 0 CA-C-O 121.292 0.567 . . . . 41.42 112.122 -174.379 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.509 ' HA ' ' HB2' ' A' ' 135' ' ' ARG . 42.7 mt-10 -88.05 104.26 16.49 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.607 -0.724 . . . . 51.52 109.36 175.576 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 14.2 tp -93.91 110.74 22.39 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.342 -0.614 . . . . 73.33 109.342 -178.164 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.55 ' HA ' ' O ' ' A' ' 137' ' ' VAL . 53.5 mtt-85 -99.49 124.36 44.59 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.583 -0.735 . . . . 73.43 110.38 -174.323 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 43.9 t -111.91 98.33 6.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 116.269 -0.423 . . . . 72.23 110.316 -176.272 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -91.72 101.4 14.01 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.964 0.411 . . . . 73.1 109.946 -179.632 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.44 ' HB2' HD23 ' A' ' 106' ' ' LEU . 26.7 mt -112.97 114.75 48.79 Favored Pre-proline 0 C--N 1.326 -0.42 0 CA-C-N 115.771 -0.649 . . . . 73.31 109.996 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 66.9 Cg_endo -73.79 152.45 47.27 Favored 'Trans proline' 0 C--O 1.235 0.334 0 C-N-CA 122.63 2.22 . . . . 73.52 111.824 179.256 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 68.28 15.06 67.38 Favored Glycine 0 CA--C 1.52 0.368 0 CA-C-N 115.854 -0.612 . . . . 54.45 112.686 -178.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.44 HD23 ' HB2' ' A' ' 103' ' ' LEU . 35.6 tp -126.72 141.41 51.85 Favored 'General case' 0 N--CA 1.464 0.236 0 C-N-CA 122.478 0.311 . . . . 65.03 110.28 -177.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -78.4 163.59 25.52 Favored 'General case' 0 CA--C 1.509 -0.606 0 CA-C-N 116.498 -0.319 . . . . 72.42 111.002 -179.67 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.559 ' O ' ' HG2' ' A' ' 112' ' ' LYS . . . -66.91 -44.53 80.54 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.428 -0.805 . . . . 74.35 109.748 169.674 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -58.89 -50.46 73.95 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 115.632 -0.713 . . . . 64.13 110.865 -176.653 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.49 ' O ' ' HG ' ' A' ' 114' ' ' LEU . . . -70.21 -44.45 68.62 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.865 -0.607 . . . . 73.25 109.972 179.451 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -54.74 -35.09 63.36 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 115.77 -0.65 . . . . 54.13 111.746 179.813 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.559 ' HG2' ' O ' ' A' ' 108' ' ' ALA . 12.5 mmmm -52.08 -49.43 63.55 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 120.896 0.379 . . . . 74.23 110.945 179.281 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . 0.419 HG22 ' O ' ' A' ' 110' ' ' ALA . 2.2 t -79.85 -36.31 36.92 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 116.175 -0.466 . . . . 74.22 110.435 -176.132 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.49 ' HG ' ' O ' ' A' ' 110' ' ' ALA . 33.6 mt -60.8 -51.05 70.99 Favored 'General case' 0 C--O 1.228 -0.057 0 CA-C-N 115.986 -0.552 . . . . 61.01 110.905 -178.33 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.465 HG21 HG12 ' A' ' 138' ' ' VAL . 93.5 t -62.99 -38.65 82.58 Favored 'Isoleucine or valine' 0 C--O 1.236 0.395 0 CA-C-O 120.985 0.421 . . . . 72.22 110.483 178.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -54.91 -59.82 4.21 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 115.667 -0.697 . . . . 63.5 110.504 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 13.1 ptm180 -69.49 -34.33 74.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.676 -0.693 . . . . 65.24 110.675 -177.58 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.508 ' HA ' HG22 ' A' ' 121' ' ' VAL . . . -57.79 -36.95 72.89 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 115.857 -0.61 . . . . 63.41 110.549 177.625 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . 0.498 ' O ' ' HB3' ' A' ' 123' ' ' PRO . 3.8 t-80 -67.55 -9.69 44.93 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 115.737 -0.665 . . . . 74.13 111.157 -178.535 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . 0.448 ' HB2' ' NH1' ' A' ' 129' ' ' ARG . 20.2 t-160 -108.7 -42.85 4.4 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 116.603 -0.271 . . . . 75.14 111.403 175.864 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.508 HG22 ' HA ' ' A' ' 118' ' ' ALA . 27.6 m -81.93 -19.66 10.75 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.302 0 N-CA-C 111.637 0.236 . . . . 74.54 111.637 -174.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' CYS . . . . . 0.515 ' N ' ' HD3' ' A' ' 123' ' ' PRO . 53.9 t -141.71 57.12 6.66 Favored Pre-proline 0 CA--C 1.535 0.391 0 CA-C-O 120.757 0.313 . . . . 72.12 110.943 -179.384 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . 0.515 ' HD3' ' N ' ' A' ' 122' ' ' CYS . 36.2 Cg_endo -100.03 -168.99 0.09 OUTLIER 'Trans proline' 0 N--CA 1.453 -0.878 0 C-N-CA 123.271 2.647 . . . . 74.45 112.234 -179.841 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -102.76 -4.94 24.25 Favored 'General case' 0 CA--C 1.534 0.336 0 N-CA-C 108.989 -0.745 . . . . 65.44 108.989 173.174 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . 0.446 ' O ' HG22 ' A' ' 128' ' ' THR . 42.5 t 171.2 164.3 0.08 Allowed 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 114.866 -1.061 . . . . 62.44 108.77 179.675 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 28.2 p-10 -72.21 -31.94 66.32 Favored 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 108.7 -0.852 . . . . 73.42 108.7 173.688 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . 0.629 ' O ' ' HB3' ' A' ' 131' ' ' ASN . . . -71.48 6.81 1.64 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 114.9 -1.046 . . . . 54.1 111.713 -179.5 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . 0.446 HG22 ' O ' ' A' ' 125' ' ' SER . 3.3 t -92.84 -1.63 56.6 Favored 'General case' 0 CA--C 1.514 -0.433 0 N-CA-C 108.592 -0.892 . . . . 73.21 108.592 -171.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . 0.448 ' NH1' ' HB2' ' A' ' 120' ' ' HIS . 13.8 ptm180 -127.85 -46.76 1.4 Allowed 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 115.161 -0.927 . . . . 72.04 111.782 -178.386 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -78.48 -48.12 16.0 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-O 121.455 0.645 . . . . 71.52 110.858 177.809 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . 0.629 ' HB3' ' O ' ' A' ' 127' ' ' ALA . 2.5 t-20 -77.94 -43.51 29.62 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 114.984 -1.007 . . . . 72.12 111.1 -175.125 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 58.9 t -101.94 136.08 35.7 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.261 0 CA-C-N 116.352 -0.385 . . . . 70.22 110.464 -178.538 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -82.35 99.55 9.44 Favored 'General case' 0 C--O 1.239 0.51 0 CA-C-O 121.159 0.504 . . . . 45.42 110.987 -179.044 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . 0.417 ' HA ' ' O ' ' A' ' 97' ' ' VAL . 13.7 t -118.34 113.91 43.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.654 -0.703 . . . . 75.02 110.965 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . 0.509 ' HB2' ' HA ' ' A' ' 98' ' ' GLU . 11.2 mmt180 -75.18 103.66 5.44 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.052 -0.721 . . . . 72.41 109.052 175.581 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.43 HD23 ' HA ' ' A' ' 136' ' ' LEU . 31.2 mt -77.2 108.64 10.45 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.087 0.47 . . . . 50.04 110.107 177.092 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . 0.55 ' O ' ' HA ' ' A' ' 100' ' ' ARG . 0.1 OUTLIER -119.94 117.1 52.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.33 -0.85 . . . . 74.42 109.658 -179.32 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . 0.465 HG12 HG21 ' A' ' 115' ' ' VAL . 2.5 m -88.61 138.87 18.32 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 115.598 -0.728 . . . . 53.11 109.818 -177.272 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.316 -0.849 0 CA-C-N 115.918 -0.583 . . . . 73.13 110.808 -177.903 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.481 ' SD ' ' HB2' ' A' ' 96' ' ' ASP . 28.3 ptm . . . . . 0 C--O 1.234 0.263 0 CA-C-O 120.841 0.353 . . . . 72.42 110.733 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 2' ' ' ASN . . . . . 0.428 ' O ' ' HD2' ' A' ' 87' ' ' PRO . 43.8 t30 -95.74 85.66 4.19 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.713 -0.676 . . . . 61.35 109.799 -179.092 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . 0.457 HG21 ' HB2' ' B' ' 6' ' ' LYS . 33.0 mm -71.56 120.79 20.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 116.004 -0.544 . . . . 72.42 111.656 179.378 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.503 ' HG ' ' HD3' ' A' ' 87' ' ' PRO . 90.5 mt -82.73 -45.27 14.63 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.288 -0.869 . . . . 75.25 110.092 177.035 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 5' ' ' TYR . . . . . . . . . . . . . 51.9 t80 -135.51 131.4 36.0 Favored 'General case' 0 C--O 1.223 -0.301 0 CA-C-N 116.097 -0.502 . . . . 75.45 110.459 -178.202 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . 0.457 ' HB2' HG21 ' B' ' 3' ' ' ILE . 38.7 ttmt -136.73 143.02 43.1 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.09 -0.504 . . . . 65.01 110.488 178.811 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 15.0 t -147.92 153.05 38.57 Favored 'General case' 0 C--O 1.236 0.376 0 N-CA-C 109.095 -0.706 . . . . 72.52 109.095 179.49 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . 0.469 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . . . -120.41 145.9 46.73 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 121.291 0.567 . . . . 64.22 112.233 -172.691 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . 0.641 ' HA ' ' H ' ' B' ' 22' ' ' HIS . . . -130.23 135.6 48.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.669 -0.696 . . . . 31.45 109.889 174.852 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 92.4 m -120.39 122.39 40.65 Favored 'General case' 0 N--CA 1.446 -0.648 0 N-CA-C 108.992 -0.744 . . . . 64.31 108.992 -173.393 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 49.8 m -124.84 131.4 53.44 Favored 'General case' 0 C--N 1.314 -0.966 0 CA-C-N 116.271 -0.422 . . . . 74.14 111.141 -174.628 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 7.3 m -108.29 159.3 16.75 Favored 'General case' 0 C--O 1.239 0.517 0 CA-C-N 116.081 -0.509 . . . . 53.42 110.951 -177.562 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -84.76 75.28 2.38 Favored Glycine 0 N--CA 1.445 -0.741 0 CA-C-N 115.861 -0.609 . . . . 71.12 111.857 175.546 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -69.49 -145.21 0.2 Allowed Glycine 0 C--N 1.336 0.54 0 C-N-CA 121.307 -0.473 . . . . 73.4 112.379 176.209 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . 0.511 ' HG3' ' HB2' ' B' ' 41' ' ' ALA . 7.2 tpp180 -51.88 -52.96 46.04 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 116.809 0.304 . . . . 65.14 110.668 178.753 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 16' ' ' ASP . . . . . 0.481 ' HB3' ' HA ' ' B' ' 31' ' ' SER . 9.0 t70 -125.75 -42.97 1.89 Allowed 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 108.743 -0.836 . . . . 65.33 108.743 172.51 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 17' ' ' GLY . . . . . 0.417 ' O ' ' HG3' ' B' ' 29' ' ' LYS . . . -166.57 159.47 32.8 Favored Glycine 0 C--N 1.342 0.887 0 N-CA-C 111.199 -0.76 . . . . 74.22 111.199 165.287 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 18' ' ' ARG . . . . . 0.572 ' HA ' ' HA ' ' B' ' 29' ' ' LYS . 4.4 tmm_? -140.66 118.81 11.98 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 117.322 0.561 . . . . 74.4 109.893 178.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -111.52 124.03 51.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.466 -0.334 . . . . 64.21 110.656 -176.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 76.2 m -131.31 112.91 13.18 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.191 -0.458 . . . . 75.11 110.0 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 21' ' ' SER . . . . . 0.606 ' HB3' ' N ' ' B' ' 26' ' ' LEU . 29.2 t -65.25 107.91 1.74 Allowed 'General case' 0 C--O 1.247 0.965 0 N-CA-C 107.655 -1.239 . . . . 74.21 107.655 176.665 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 22' ' ' HIS . . . . . 0.641 ' H ' ' HA ' ' B' ' 9' ' ' ALA . 7.8 t-80 -47.85 -38.02 15.18 Favored 'General case' 0 N--CA 1.467 0.413 0 O-C-N 126.205 2.191 . . . . 73.12 113.082 -166.668 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -80.14 25.73 0.37 Allowed 'General case' 0 C--N 1.317 -0.832 0 CA-C-O 121.148 0.499 . . . . 63.54 110.901 -176.262 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . 0.413 ' H ' ' C ' ' B' ' 22' ' ' HIS . 26.6 mm-40 69.6 21.41 6.67 Favored 'General case' 0 CA--C 1.519 -0.227 0 CA-C-N 115.2 -0.909 . . . . 71.43 110.358 173.427 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.552 ' HB2' ' OG ' ' B' ' 21' ' ' SER . 18.2 mmtm -86.88 -24.82 24.74 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.135 -0.939 . . . . 41.25 111.297 -179.413 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . 0.606 ' N ' ' HB3' ' B' ' 21' ' ' SER . 31.8 tp -156.44 152.04 26.97 Favored 'General case' 0 CA--C 1.505 -0.767 0 C-N-CA 119.902 -0.719 . . . . 71.52 111.679 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -159.8 94.15 1.12 Allowed 'General case' 0 N--CA 1.447 -0.601 0 CA-C-N 115.34 -0.845 . . . . 53.33 110.32 -179.321 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 4.6 m -144.25 177.74 1.96 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.405 0 CA-C-O 121.553 0.692 . . . . 74.12 111.898 179.287 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.572 ' HA ' ' HA ' ' B' ' 18' ' ' ARG . 24.7 ttmt -123.98 140.91 52.51 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 114.849 -1.069 . . . . 64.31 109.813 178.83 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . 0.742 ' HA ' ' H ' ' B' ' 44' ' ' THR . 0.0 OUTLIER -126.12 169.92 12.31 Favored 'General case' 0 C--O 1.253 1.26 0 CA-C-N 116.258 -0.428 . . . . 72.32 109.968 177.924 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . 0.481 ' HA ' ' HB3' ' B' ' 16' ' ' ASP . 21.8 m -159.02 134.52 8.57 Favored 'General case' 0 N--CA 1.446 -0.657 0 CA-C-N 115.634 -0.712 . . . . 62.35 111.914 -174.058 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 32' ' ' ALA . . . . . 0.41 ' O ' ' N ' ' B' ' 34' ' ' ARG . . . -90.61 93.73 0.55 Allowed Pre-proline 0 N--CA 1.444 -0.728 0 N-CA-C 107.037 -1.468 . . . . 75.13 107.037 162.364 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 33' ' ' PRO . . . . . 0.512 ' O ' ' HG2' ' B' ' 35' ' ' GLU . 56.4 Cg_endo -66.27 65.18 0.49 Allowed 'Trans proline' 0 C--N 1.354 0.852 0 C-N-CA 123.357 2.705 . . . . 71.3 113.112 -167.31 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 34' ' ' ARG . . . . . 0.505 ' O ' ' N ' ' B' ' 36' ' ' LEU . 19.2 mmt180 50.48 -96.73 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.849 -0.614 . . . . 71.43 111.47 -176.176 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . 0.512 ' HG2' ' O ' ' B' ' 33' ' ' PRO . 12.9 mm-40 50.07 -74.55 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 O-C-N 124.203 0.939 . . . . 72.42 112.588 -177.506 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.677 ' HG ' HD12 ' B' ' 85' ' ' ILE . 1.3 mm? -85.63 -36.05 20.57 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.827 -0.805 . . . . 63.52 108.827 -175.5 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 152.29 39.38 0.03 OUTLIER Glycine 0 N--CA 1.448 -0.555 0 CA-C-N 114.668 -1.151 . . . . 51.22 111.489 -179.538 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . 0.424 ' H ' ' HA ' ' B' ' 34' ' ' ARG . . . -77.65 -128.0 0.4 Allowed Glycine 0 C--N 1.336 0.532 0 C-N-CA 120.491 -0.861 . . . . 64.12 111.742 -178.382 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 39' ' ' ALA . . . . . 0.478 ' HB3' ' OD1' ' B' ' 16' ' ' ASP . . . -116.01 -47.11 2.79 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.972 -0.381 . . . . 71.25 109.972 176.466 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 114.18 103.06 2.51 Favored Glycine 0 C--N 1.331 0.304 0 C-N-CA 121.103 -0.57 . . . . 53.13 112.489 176.327 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . 0.511 ' HB2' ' HG3' ' B' ' 15' ' ' ARG . . . -168.7 -176.26 2.69 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.88 0.371 . . . . 45.11 111.689 179.197 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -110.98 17.78 20.13 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 116.066 -0.515 . . . . 74.14 111.624 -174.798 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -79.11 -164.17 27.0 Favored Glycine 0 CA--C 1.52 0.406 0 C-N-CA 121.018 -0.61 . . . . 72.12 112.754 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 44' ' ' THR . . . . . 0.742 ' H ' ' HA ' ' B' ' 30' ' ' LEU . 25.7 m -93.1 136.96 32.88 Favored 'General case' 0 CA--C 1.533 0.315 0 O-C-N 122.859 -0.201 . . . . 35.03 110.827 -175.533 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 13.1 m120 -61.1 119.62 47.1 Favored Pre-proline 0 N--CA 1.466 0.334 0 O-C-N 122.968 0.168 . . . . 71.14 110.984 179.461 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 46' ' ' PRO . . . . . 0.598 ' HB3' ' SG ' ' A' ' 57' ' ' CYS . 72.3 Cg_exo -50.61 -40.17 55.46 Favored 'Trans proline' 0 C--N 1.349 0.57 0 C-N-CA 122.912 2.408 . . . . 54.41 112.051 174.341 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 47' ' ' GLU . . . . . 0.433 ' CD ' ' H ' ' B' ' 47' ' ' GLU . 2.0 mp0 -58.2 -49.75 75.94 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 121.548 0.689 . . . . 73.03 109.179 177.722 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . 0.451 ' OE1' ' HB2' ' A' ' 21' ' ' SER . 1.1 tm0? -62.85 -36.13 82.23 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 114.758 -1.11 . . . . 65.22 109.983 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 49' ' ' LEU . . . . . 0.56 HD12 ' HA3' ' A' ' 53' ' ' GLY . 2.7 tm? -61.43 -54.25 46.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.845 -0.616 . . . . 73.15 110.233 -178.21 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 30.7 t80 -63.2 -41.97 99.24 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 116.759 -0.201 . . . . 74.53 110.474 177.69 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -51.94 -52.99 46.35 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.166 -0.47 . . . . 63.22 110.791 176.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 52' ' ' ALA . . . . . 0.609 ' HB1' ' HB1' ' A' ' 19' ' ' ALA . . . -66.95 -41.7 86.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.713 -0.676 . . . . 74.31 110.877 -178.128 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . 0.414 ' HA3' HD12 ' A' ' 49' ' ' LEU . . . -60.35 -48.42 86.23 Favored Glycine 0 N--CA 1.451 -0.34 0 CA-C-N 115.764 -0.653 . . . . 73.22 112.256 179.084 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -69.98 -36.67 75.37 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 110.162 -0.31 . . . . 73.14 110.162 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 8.7 t -61.4 -49.8 75.42 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.138 0.494 . . . . 71.55 109.924 179.317 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 56' ' ' ALA . . . . . 0.47 ' HB1' HD21 ' A' ' 30' ' ' LEU . . . -69.38 -43.04 74.33 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 115.946 -0.57 . . . . 72.32 110.641 179.594 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 57' ' ' CYS . . . . . 0.909 ' HG ' ' HE2' ' B' ' 124' ' ' TYR . 38.6 t -60.65 -36.26 78.25 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 116.007 -0.542 . . . . 72.4 110.202 179.19 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 58' ' ' PHE . . . . . 0.833 ' HE2' ' HG ' ' B' ' 122' ' ' CYS . 41.0 t80 -65.81 -35.29 80.26 Favored 'General case' 0 N--CA 1.454 -0.268 0 N-CA-C 109.311 -0.626 . . . . 52.32 109.311 179.603 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . 0.595 ' O ' ' HG2' ' B' ' 63' ' ' LYS . 28.8 tp -71.41 -37.42 71.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.329 -0.85 . . . . 64.41 110.116 178.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 43.2 m -63.77 -45.26 90.59 Favored 'General case' 0 C--O 1.24 0.574 0 CA-C-O 121.397 0.618 . . . . 73.23 110.097 174.379 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . 0.457 ' O ' HG23 ' B' ' 65' ' ' VAL . . . -59.71 -37.4 78.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.883 -0.598 . . . . 44.1 109.573 174.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 62' ' ' MET . . . . . 0.431 ' HG3' ' CD1' ' B' ' 73' ' ' LEU . 4.5 tpt -62.78 -37.58 87.23 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-N 115.39 -0.823 . . . . 71.0 110.013 176.539 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . 0.595 ' HG2' ' O ' ' B' ' 59' ' ' LEU . 31.5 mmtp -58.64 -52.26 66.45 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-O 121.417 0.627 . . . . 72.03 109.315 174.683 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 61.0 t80 -61.77 -44.62 96.52 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 114.95 -1.023 . . . . 73.11 110.84 -176.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . 0.457 HG23 ' O ' ' B' ' 61' ' ' ALA . 54.8 t -55.98 -52.43 49.82 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 116.429 -0.35 . . . . 75.05 110.251 177.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -55.81 -34.03 64.96 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.137 0.494 . . . . 74.13 110.139 177.344 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -70.08 -31.5 69.39 Favored Glycine 0 N--CA 1.451 -0.341 0 CA-C-N 115.281 -0.872 . . . . 75.04 112.534 -176.577 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 68' ' ' GLN . . . . . 0.406 ' HG3' HD22 ' B' ' 69' ' ' ASN . 11.8 pt20 -94.5 -16.94 22.89 Favored 'General case' 0 CA--C 1.522 -0.12 0 N-CA-C 109.286 -0.635 . . . . 64.5 109.286 -179.01 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 69' ' ' ASN . . . . . 0.406 HD22 ' HG3' ' B' ' 68' ' ' GLN . 0.9 OUTLIER -89.56 -1.89 58.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.183 -0.917 . . . . 65.21 110.541 177.711 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 10.6 mptt 61.98 24.3 14.44 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-N 115.927 -0.579 . . . . 73.12 111.462 177.824 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -115.12 163.37 15.72 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.698 -0.683 . . . . 74.24 110.017 178.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 24.4 p -125.96 136.62 53.22 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.357 -0.383 . . . . 74.12 110.432 -179.727 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . 0.431 ' CD1' ' HG3' ' B' ' 62' ' ' MET . 93.5 mt -109.36 144.97 30.88 Favored Pre-proline 0 C--N 1.326 -0.427 0 CA-C-N 115.943 -0.572 . . . . 75.15 110.312 -177.742 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 74' ' ' PRO . . . . . 0.547 ' HD2' HD11 ' B' ' 103' ' ' LEU . 39.9 Cg_exo -58.65 149.08 78.81 Favored 'Trans proline' 0 C--N 1.349 0.583 0 C-N-CA 122.794 2.329 . . . . 62.01 112.812 -179.51 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -76.24 -23.28 54.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.588 0.709 . . . . 71.53 110.818 178.532 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -80.9 19.01 0.9 Allowed 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 114.767 -1.106 . . . . 60.22 111.487 -172.791 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 77' ' ' THR . . . . . 0.42 ' HB ' HD12 ' B' ' 103' ' ' LEU . 8.8 t -92.86 157.54 16.33 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.058 0.456 . . . . 73.25 111.207 -176.696 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 57.6 m -152.95 151.02 29.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.898 -0.592 . . . . 71.23 110.266 -179.271 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 94.4 t -124.41 122.41 63.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 N-CA-C 109.032 -0.729 . . . . 54.24 109.032 175.083 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 80' ' ' THR . . . . . 0.561 ' HA ' ' HA ' ' A' ' 10' ' ' THR . 19.0 m -106.52 106.78 17.47 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-O 120.891 0.377 . . . . 72.42 111.118 -175.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -93.16 115.09 27.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.994 -0.548 . . . . 73.43 110.226 179.541 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 82' ' ' GLU . . . . . 0.448 ' HA ' ' HA ' ' A' ' 8' ' ' ALA . 36.1 tt0 -116.34 108.49 16.14 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.013 -0.736 . . . . 71.23 109.013 178.687 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . 0.493 HG12 HG13 ' B' ' 97' ' ' VAL . 23.7 m -107.41 150.73 9.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.163 -0.471 . . . . 71.44 110.942 -173.569 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 84' ' ' GLY . . . . . 0.442 ' HA2' ' HA ' ' A' ' 6' ' ' LYS . . . -143.04 164.86 27.11 Favored Glycine 0 N--CA 1.443 -0.874 0 CA-C-N 116.066 -0.516 . . . . 52.45 112.039 -179.416 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 85' ' ' ILE . . . . . 0.677 HD12 ' HG ' ' B' ' 36' ' ' LEU . 0.0 OUTLIER -136.3 130.91 48.19 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.778 0 N-CA-C 108.751 -0.833 . . . . 73.1 108.751 179.619 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 86' ' ' GLY . . . . . 0.405 ' HA2' ' HG ' ' A' ' 4' ' ' LEU . . . -141.54 169.72 25.04 Favored Glycine 0 N--CA 1.451 -0.324 0 CA-C-N 115.342 -0.844 . . . . 52.3 111.296 179.777 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 87' ' ' PRO . . . . . 0.701 ' HD3' ' HG ' ' A' ' 4' ' ' LEU . 3.4 Cg_exo -78.28 122.0 5.49 Favored 'Trans proline' 0 N--CA 1.457 -0.665 0 C-N-CA 122.759 2.306 . . . . 61.3 111.912 -177.786 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 88' ' ' ASN . . . . . . . . . . . . . 56.9 t-20 -69.14 136.7 52.57 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 108.532 -0.914 . . . . 72.3 108.532 174.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -61.95 -16.98 55.24 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.897 0.38 . . . . 65.22 111.198 -179.036 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -67.42 -20.63 65.55 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-O 121.475 0.655 . . . . 74.05 110.674 174.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.38 35.2 3.41 Favored Glycine 0 N--CA 1.453 -0.176 0 CA-C-N 115.628 -0.714 . . . . 72.2 111.75 -177.727 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . -140.67 -148.43 5.12 Favored Glycine 0 N--CA 1.452 -0.299 0 N-CA-C 110.789 -0.924 . . . . 70.13 110.789 177.715 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 93' ' ' PHE . . . . . 0.405 ' CD2' HD11 ' B' ' 85' ' ' ILE . 60.6 m-85 -118.82 154.74 32.37 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 117.081 0.441 . . . . 73.12 110.194 178.015 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -141.14 136.17 31.6 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.913 -0.585 . . . . 62.21 109.876 -178.117 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -99.95 132.47 45.28 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.154 -0.476 . . . . 74.21 110.844 -178.063 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 96' ' ' ASP . . . . . 0.5 ' HB3' HD11 ' A' ' 3' ' ' ILE . 31.3 t70 -119.09 115.88 25.2 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.131 -0.94 . . . . 73.53 109.509 179.354 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 97' ' ' VAL . . . . . 0.613 ' HB ' HG22 ' B' ' 134' ' ' VAL . 61.3 t -113.68 111.65 36.95 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-N 116.342 -0.39 . . . . 65.34 110.664 -176.196 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 98' ' ' GLU . . . . . 0.441 ' HG2' ' HB3' ' B' ' 135' ' ' ARG . 34.0 mt-10 -104.39 106.44 16.93 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.993 0.425 . . . . 74.42 109.975 178.575 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 96.3 mt -93.94 116.65 29.11 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 115.849 -0.614 . . . . 61.12 110.389 -177.42 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 100' ' ' ARG . . . . . 0.568 ' HA ' ' O ' ' B' ' 137' ' ' VAL . 79.7 mtt180 -99.45 129.38 45.63 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.108 -0.496 . . . . 64.11 110.128 -178.874 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 101' ' ' VAL . . . . . 0.453 HG21 HG22 ' B' ' 115' ' ' VAL . 73.0 t -110.31 111.32 35.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.415 -0.357 . . . . 60.12 110.927 -178.327 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -111.4 101.64 10.08 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.859 0.361 . . . . 53.32 110.395 177.509 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 103' ' ' LEU . . . . . 0.764 HD23 HD22 ' B' ' 106' ' ' LEU . 34.6 tp -114.47 119.19 40.4 Favored Pre-proline 0 C--N 1.328 -0.366 0 N-CA-C 109.024 -0.732 . . . . 72.24 109.024 177.403 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 104' ' ' PRO . . . . . 0.551 ' HD2' HD12 ' B' ' 103' ' ' LEU . 50.5 Cg_endo -70.78 147.98 57.45 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.552 2.168 . . . . 74.24 112.354 -177.369 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 105' ' ' GLY . . . . . . . . . . . . . . . 72.08 15.45 76.51 Favored Glycine 0 CA--C 1.521 0.418 0 CA-C-N 115.585 -0.734 . . . . 72.34 112.418 -178.475 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 106' ' ' LEU . . . . . 0.764 HD22 HD23 ' B' ' 103' ' ' LEU . 27.1 tp -121.49 146.68 46.68 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 122.787 0.435 . . . . 60.53 111.087 -177.105 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -91.46 148.97 21.92 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 115.909 -0.587 . . . . 63.12 110.745 173.632 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 108' ' ' ALA . . . . . 0.521 ' O ' ' HG3' ' B' ' 112' ' ' LYS . . . -63.35 -39.67 95.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 34.32 110.819 -178.362 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -55.62 -45.11 77.6 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 116.156 -0.474 . . . . 64.51 111.109 -179.233 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 110' ' ' ALA . . . . . 0.561 ' O ' HG22 ' B' ' 113' ' ' THR . . . -73.96 -39.23 63.86 Favored 'General case' 0 C--O 1.239 0.537 0 CA-C-O 121.316 0.579 . . . . 72.03 110.229 177.155 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 111' ' ' ALA . . . . . 0.453 ' O ' HG23 ' B' ' 115' ' ' VAL . . . -54.7 -36.38 64.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.584 -0.734 . . . . 64.14 110.675 179.155 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 112' ' ' LYS . . . . . 0.521 ' HG3' ' O ' ' B' ' 108' ' ' ALA . 62.6 mtpt -56.09 -44.19 78.75 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 115.874 -0.603 . . . . 74.45 111.284 178.77 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 113' ' ' THR . . . . . 0.561 HG22 ' O ' ' B' ' 110' ' ' ALA . 1.6 t -75.35 -35.7 61.11 Favored 'General case' 0 N--CA 1.462 0.162 0 N-CA-C 110.225 -0.287 . . . . 72.03 110.225 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 114' ' ' LEU . . . . . 0.453 ' HG ' ' O ' ' B' ' 110' ' ' ALA . 45.4 mt -61.11 -48.84 79.81 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.238 -0.437 . . . . 70.23 110.774 -179.81 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 115' ' ' VAL . . . . . 0.584 HG21 HG12 ' B' ' 138' ' ' VAL . 54.5 t -68.08 -36.14 74.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.192 -0.458 . . . . 63.55 110.415 179.585 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -55.8 -55.06 36.95 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-N 115.647 -0.706 . . . . 75.43 110.553 178.561 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 117' ' ' ARG . . . . . 0.482 ' HG2' ' O ' ' B' ' 113' ' ' THR . 15.8 ptm180 -70.72 -43.21 69.4 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 115.196 -0.911 . . . . 70.2 111.451 -176.549 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -64.67 -47.74 77.32 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 121.062 0.458 . . . . 61.11 111.273 -176.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 119' ' ' HIS . . . . . 0.665 ' HA ' ' SG ' ' B' ' 122' ' ' CYS . 40.8 t60 -78.81 13.66 1.62 Allowed 'General case' 0 CA--C 1.533 0.324 0 CA-C-O 120.999 0.428 . . . . 74.31 110.884 -176.476 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 51.5 t-80 -97.68 -22.38 16.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.573 -0.285 . . . . 61.52 110.546 177.193 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 16.8 m -128.78 40.1 0.82 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.419 0 CA-C-N 116.22 -0.446 . . . . 63.42 110.977 -175.633 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 122' ' ' CYS . . . . . 0.833 ' HG ' ' HE2' ' B' ' 58' ' ' PHE . 35.5 m -65.23 152.86 90.82 Favored Pre-proline 0 CA--C 1.535 0.37 0 CA-C-N 115.601 -0.727 . . . . 74.53 111.369 -177.4 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 123' ' ' PRO . . . . . 0.405 ' HG2' ' HD2' ' B' ' 124' ' ' TYR . 17.1 Cg_endo -58.87 -42.71 49.92 Favored 'Trans proline' 0 C--N 1.355 0.88 0 C-N-CA 122.319 2.013 . . . . 65.25 110.379 171.547 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 124' ' ' TYR . . . . . 0.909 ' HE2' ' HG ' ' B' ' 57' ' ' CYS . 3.8 m-85 -75.86 111.33 11.11 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 106.714 -1.587 . . . . 65.35 106.714 169.564 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 125' ' ' SER . . . . . 0.447 ' HB3' ' OD1' ' A' ' 131' ' ' ASN . 26.1 t -49.52 166.93 0.05 OUTLIER 'General case' 0 CA--C 1.54 0.57 0 N-CA-C 114.787 1.403 . . . . 64.23 114.787 -160.84 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 126' ' ' ASN . . . . . 0.541 ' O ' ' HG2' ' B' ' 129' ' ' ARG . 25.3 t-20 -51.11 -31.71 20.2 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 114.066 -1.425 . . . . 74.24 112.366 -172.161 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 127' ' ' ALA . . . . . 0.609 ' O ' ' HB3' ' B' ' 131' ' ' ASN . . . -64.57 6.85 0.18 Allowed 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 122.906 0.483 . . . . 65.3 111.999 179.38 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 128' ' ' THR . . . . . 0.478 ' H ' ' C ' ' B' ' 126' ' ' ASN . 7.5 t -92.4 1.46 57.23 Favored 'General case' 0 N--CA 1.449 -0.482 0 N-CA-C 108.555 -0.905 . . . . 55.14 108.555 -173.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 129' ' ' ARG . . . . . 0.541 ' HG2' ' O ' ' B' ' 126' ' ' ASN . 15.8 ptm180 -130.76 -47.46 1.04 Allowed 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 115.306 -0.861 . . . . 75.21 112.054 -177.388 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 130' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -78.38 -50.15 12.26 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-O 121.117 0.484 . . . . 74.14 111.001 177.34 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 131' ' ' ASN . . . . . 0.609 ' HB3' ' O ' ' B' ' 127' ' ' ALA . 48.0 t-20 -69.44 -43.8 72.58 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 115.384 -0.825 . . . . 75.43 110.407 -176.451 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 132' ' ' VAL . . . . . . . . . . . . . 41.8 t -99.23 131.43 46.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.767 -0.652 . . . . 52.13 110.039 179.446 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 133' ' ' ALA . . . . . . . . . . . . . . . -65.62 97.57 0.32 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.286 0.565 . . . . 72.23 110.627 -179.802 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 134' ' ' VAL . . . . . 0.613 HG22 ' HB ' ' B' ' 97' ' ' VAL . 94.6 t -123.61 118.35 54.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.425 -0.807 . . . . 61.1 110.77 -179.089 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 135' ' ' ARG . . . . . 0.441 ' HB3' ' HG2' ' B' ' 98' ' ' GLU . 18.5 tpp180 -86.2 119.28 26.31 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.771 -0.65 . . . . 74.32 109.485 176.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 136' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' B' ' 136' ' ' LEU . 68.2 mt -91.0 108.22 19.72 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-O 121.238 0.542 . . . . 72.41 110.136 176.029 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 137' ' ' VAL . . . . . 0.568 ' O ' ' HA ' ' B' ' 100' ' ' ARG . 0.2 OUTLIER -118.11 116.58 51.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-N 115.12 -0.945 . . . . 72.22 110.624 -176.621 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 138' ' ' VAL . . . . . 0.584 HG12 HG21 ' B' ' 115' ' ' VAL . 3.1 m -96.66 138.67 21.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.406 -0.815 . . . . 70.52 110.015 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 139' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.234 0 CA-C-O 118.405 -0.807 . . . . 71.35 110.861 -177.379 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.414 ' HE1' ' HB3' ' B' ' 94' ' ' ALA . 12.9 ptt? . . . . . 0 N--CA 1.482 1.128 0 CA-C-O 120.763 0.316 . . . . 71.43 110.874 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 42.8 t30 -71.61 79.0 0.81 Allowed 'General case' 0 CA--C 1.531 0.219 0 CA-C-N 115.894 -0.594 . . . . 75.52 110.681 177.671 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.519 HG21 ' HB2' ' A' ' 6' ' ' LYS . 34.2 mm -75.55 137.57 22.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.732 -0.667 . . . . 51.02 111.478 175.739 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.678 ' HG ' ' HD3' ' B' ' 87' ' ' PRO . 76.3 mt -96.26 -45.72 6.72 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.591 -0.731 . . . . 74.21 110.238 174.786 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 16.6 t80 -131.95 125.37 31.44 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 116.25 -0.432 . . . . 54.43 109.893 -177.805 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.519 ' HB2' HG21 ' A' ' 3' ' ' ILE . 32.0 ttmt -137.28 133.36 34.92 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 121.005 0.431 . . . . 62.42 111.258 177.781 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 7.7 t -134.78 148.63 50.27 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-N 115.708 -0.678 . . . . 73.02 109.867 -179.44 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.525 ' HA ' ' HA ' ' B' ' 82' ' ' GLU . . . -114.02 150.53 33.77 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-O 121.096 0.475 . . . . 64.34 111.277 -177.189 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.414 ' HA ' ' HA ' ' A' ' 21' ' ' SER . . . -135.45 121.3 19.76 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.931 -0.577 . . . . 65.14 110.001 175.608 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 88.3 m -98.21 128.07 44.48 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.895 -0.593 . . . . 73.43 110.095 -176.543 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.583 ' HA ' ' O ' ' A' ' 18' ' ' ARG . 97.3 p -112.11 120.62 42.45 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.846 0.355 . . . . 71.32 110.93 178.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 6.1 m -99.55 162.67 12.89 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.417 -0.356 . . . . 72.12 110.398 179.68 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -83.73 74.39 2.52 Favored Glycine 0 CA--C 1.52 0.402 0 C-N-CA 121.067 -0.587 . . . . 62.44 112.637 176.721 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -72.75 -145.54 0.64 Allowed Glycine 0 CA--C 1.525 0.657 0 C-N-CA 121.19 -0.528 . . . . 62.02 112.859 173.387 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 13.8 tpt180 -48.48 -52.27 23.11 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-O 121.002 0.43 . . . . 73.04 110.131 178.004 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.597 ' HB3' ' HA ' ' A' ' 31' ' ' SER . 21.5 t70 -125.52 -42.46 1.95 Allowed 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.006 -1.109 . . . . 74.22 108.006 168.282 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -161.36 162.66 33.98 Favored Glycine 0 N--CA 1.441 -0.98 0 CA-C-N 114.815 -1.084 . . . . 73.12 111.071 171.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.613 ' HA ' ' HA ' ' A' ' 29' ' ' LYS . 4.3 ttm180 -133.56 124.4 26.84 Favored 'General case' 0 C--N 1.315 -0.894 0 N-CA-C 108.783 -0.821 . . . . 73.24 108.783 177.192 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -111.23 123.69 50.71 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.879 0.371 . . . . 71.12 110.146 -176.425 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 92.8 m -136.75 111.56 8.8 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.477 -0.329 . . . . 63.53 110.143 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.543 ' HB3' ' N ' ' A' ' 26' ' ' LEU . 29.8 t -67.03 109.14 2.88 Favored 'General case' 0 C--O 1.246 0.9 0 N-CA-C 107.229 -1.397 . . . . 62.3 107.229 176.186 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.413 ' C ' ' H ' ' A' ' 24' ' ' GLN . 11.1 t60 -56.88 -24.53 52.43 Favored 'General case' 0 CA--C 1.52 -0.201 0 O-C-N 126.065 2.103 . . . . 71.44 111.87 -164.78 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -80.49 23.13 0.52 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.215 -0.448 . . . . 73.43 110.188 179.482 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.413 ' H ' ' C ' ' A' ' 22' ' ' HIS . 30.8 mm-40 63.67 21.14 12.57 Favored 'General case' 0 C--N 1.341 0.222 0 C-N-CA 123.485 0.714 . . . . 72.53 110.404 178.631 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.717 ' HG3' HE22 ' B' ' 48' ' ' GLN . 73.1 mmtt -83.54 -30.14 27.32 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 115.325 -0.852 . . . . 73.44 110.163 -179.024 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.543 ' N ' ' HB3' ' A' ' 21' ' ' SER . 44.6 tp -151.71 148.93 28.49 Favored 'General case' 0 CA--C 1.508 -0.669 0 C-N-CA 120.378 -0.529 . . . . 74.42 111.447 -178.353 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -158.27 94.95 1.33 Allowed 'General case' 0 N--CA 1.444 -0.746 0 CA-C-N 115.489 -0.778 . . . . 74.13 110.475 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.404 ' O ' ' HG2' ' A' ' 18' ' ' ARG . 3.4 m -146.36 177.96 1.26 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.431 0 CA-C-N 115.567 -0.742 . . . . 62.12 111.253 177.616 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.613 ' HA ' ' HA ' ' A' ' 18' ' ' ARG . 0.7 OUTLIER -133.05 145.36 50.72 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.489 -0.778 . . . . 62.42 109.832 179.112 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.68 ' HB3' ' HB ' ' A' ' 44' ' ' THR . 0.0 OUTLIER -126.83 164.84 20.5 Favored 'General case' 0 C--O 1.249 1.058 0 CA-C-O 121.172 0.511 . . . . 64.12 111.118 -179.473 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.597 ' HA ' ' HB3' ' A' ' 16' ' ' ASP . 20.0 p -169.53 113.94 0.53 Allowed 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 115.063 -0.972 . . . . 75.34 110.746 -172.335 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -69.33 131.7 90.12 Favored Pre-proline 0 C--O 1.238 0.498 0 CA-C-N 115.777 -0.647 . . . . 52.21 110.196 178.093 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_exo -52.01 148.24 24.16 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 122.655 2.237 . . . . 73.33 112.178 177.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 9.5 mmt180 -66.66 -1.48 3.8 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 116.213 -0.449 . . . . 50.12 111.3 179.727 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 32.1 mm-40 -59.12 -32.32 69.74 Favored 'General case' 0 CA--C 1.529 0.153 0 O-C-N 123.23 0.331 . . . . 75.14 111.057 178.375 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.469 HD22 ' N ' ' A' ' 36' ' ' LEU . 2.1 mm? -100.39 4.2 43.71 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 121.073 0.463 . . . . 63.44 109.953 177.591 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 80.28 34.43 29.39 Favored Glycine 0 N--CA 1.45 -0.376 0 N-CA-C 111.565 -0.614 . . . . 72.22 111.565 -173.065 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -84.4 -113.13 0.64 Allowed Glycine 0 C--N 1.334 0.441 0 C-N-CA 121.253 -0.499 . . . . 73.44 112.787 -177.249 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -106.04 -48.69 3.55 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.958 0.409 . . . . 63.22 110.793 -178.113 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 101.77 80.41 1.48 Allowed Glycine 0 N--CA 1.452 -0.263 0 CA-C-N 115.857 -0.611 . . . . 45.53 111.884 -177.539 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -175.31 163.19 3.03 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 122.782 0.433 . . . . 44.21 109.859 -177.282 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.47 ' HG3' ' N ' ' A' ' 43' ' ' GLY . 17.3 pt-20 -68.99 -47.2 66.14 Favored 'General case' 0 CA--C 1.508 -0.642 0 CA-C-O 122.238 1.018 . . . . 71.23 109.831 177.174 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.47 ' N ' ' HG3' ' A' ' 42' ' ' GLU . . . 23.71 -142.24 0.01 OUTLIER Glycine 0 C--N 1.296 -1.668 0 CA-C-N 111.419 -2.628 . . . . 55.55 114.715 -178.535 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.68 ' HB ' ' HB3' ' A' ' 30' ' ' LEU . 87.6 m -128.81 150.93 50.1 Favored 'General case' 0 N--CA 1.446 -0.634 0 N-CA-C 108.744 -0.836 . . . . 74.01 108.744 171.294 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.425 ' HB2' ' HB3' ' A' ' 48' ' ' GLN . 6.2 m120 -95.14 131.14 30.65 Favored Pre-proline 0 CA--C 1.534 0.349 0 C-N-CA 122.26 0.224 . . . . 72.33 111.042 -177.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 45' ' ' ASN . 52.8 Cg_exo -57.64 -53.72 4.22 Favored 'Trans proline' 0 C--N 1.352 0.715 0 C-N-CA 123.093 2.529 . . . . 63.04 113.155 177.825 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.75 -44.2 97.01 Favored 'General case' 0 N--CA 1.469 0.524 0 N-CA-C 109.876 -0.416 . . . . 62.13 109.876 -179.455 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.607 ' OE1' ' HB2' ' B' ' 21' ' ' SER . 0.7 OUTLIER -53.12 -45.85 68.5 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.686 -0.688 . . . . 72.35 110.608 171.91 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.58 HD12 ' HA3' ' B' ' 53' ' ' GLY . 2.3 tm? -57.26 -50.11 73.93 Favored 'General case' 0 C--O 1.241 0.611 0 CA-C-N 115.643 -0.708 . . . . 71.11 109.36 -175.608 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 84.0 t80 -59.43 -50.7 72.91 Favored 'General case' 0 C--O 1.222 -0.372 0 CA-C-N 115.804 -0.635 . . . . 64.45 110.372 175.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.11 -45.56 75.52 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 116.442 -0.345 . . . . 52.03 111.734 -176.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -68.93 -49.3 59.24 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-O 121.035 0.445 . . . . 51.43 110.946 -177.716 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.62 ' HA3' HD12 ' B' ' 49' ' ' LEU . . . -64.08 -28.65 73.15 Favored Glycine 0 C--N 1.332 0.338 0 C-N-CA 120.538 -0.839 . . . . 45.35 111.808 178.504 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.777 ' HA ' ' SG ' ' A' ' 57' ' ' CYS . 1.4 t80 -74.85 -47.88 27.96 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 123.221 0.608 . . . . 71.4 110.444 179.589 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.586 ' HB3' ' HB2' ' A' ' 81' ' ' ALA . 45.7 p -62.06 -36.79 82.7 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.196 0.522 . . . . 50.31 109.82 178.407 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.563 ' HB1' HD21 ' B' ' 30' ' ' LEU . . . -69.83 -49.33 53.64 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-N 115.629 -0.714 . . . . 72.41 111.101 177.475 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.777 ' SG ' ' HA ' ' A' ' 54' ' ' TYR . 21.1 p -61.84 -35.96 79.8 Favored 'General case' 0 C--O 1.223 -0.32 0 N-CA-C 110.042 -0.355 . . . . 74.4 110.042 179.477 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 48.7 t80 -52.61 -44.29 65.92 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 115.823 -0.626 . . . . 64.12 109.621 177.308 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.537 HD21 HG23 ' A' ' 79' ' ' VAL . 94.2 mt -64.77 -46.74 80.85 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.394 -0.821 . . . . 74.12 110.524 176.548 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 35.0 t -55.17 -51.45 66.47 Favored 'General case' 0 C--O 1.238 0.495 0 CA-C-O 121.347 0.594 . . . . 74.4 110.437 179.244 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.424 ' O ' HG23 ' A' ' 65' ' ' VAL . . . -58.92 -39.61 82.07 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.722 -0.672 . . . . 64.15 110.1 177.461 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 2.9 tpt -60.51 -38.24 83.72 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-N 115.989 -0.55 . . . . 61.32 110.387 177.203 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.532 ' NZ ' ' HA ' ' B' ' 16' ' ' ASP . 2.4 mptm? -61.61 -51.91 66.54 Favored 'General case' 0 N--CA 1.468 0.434 0 N-CA-C 109.888 -0.412 . . . . 62.32 109.888 175.373 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 53.7 t80 -58.79 -44.86 90.82 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 115.905 -0.589 . . . . 70.35 110.738 -178.716 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.424 HG23 ' O ' ' A' ' 61' ' ' ALA . 54.9 t -56.83 -49.7 77.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.164 -0.471 . . . . 51.41 110.172 177.421 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -57.92 -32.65 67.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.073 0.463 . . . . 55.45 110.48 177.825 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -68.59 -32.22 74.55 Favored Glycine 0 N--CA 1.451 -0.332 0 CA-C-N 115.23 -0.896 . . . . 65.01 111.929 -177.326 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -97.96 -13.13 21.31 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.46 -0.57 . . . . 73.33 109.46 -179.386 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -95.4 -0.8 52.12 Favored 'General case' 0 CA--C 1.517 -0.306 0 CA-C-N 115.351 -0.841 . . . . 73.35 110.909 176.832 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 23.1 mmtm 61.3 24.54 14.63 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.455 -0.793 . . . . 70.5 111.118 171.722 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.603 HE22 HD21 ' A' ' 73' ' ' LEU . 1.1 pt20 -116.6 163.98 15.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.3 -0.409 . . . . 65.11 110.542 -176.628 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 29.8 p -110.84 134.31 52.64 Favored 'General case' 0 C--O 1.237 0.422 0 CA-C-O 121.159 0.504 . . . . 71.13 111.89 -174.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.603 HD21 HE22 ' A' ' 71' ' ' GLN . 71.0 mt -109.58 140.4 22.1 Favored Pre-proline 0 C--N 1.327 -0.383 0 CA-C-N 115.53 -0.759 . . . . 63.13 110.429 176.674 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.547 ' HD2' HD11 ' A' ' 103' ' ' LEU . 23.3 Cg_exo -66.3 132.65 30.15 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.365 2.044 . . . . 75.32 111.21 173.451 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -77.03 -8.44 57.43 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 112.246 0.461 . . . . 74.43 112.246 -175.796 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -90.56 11.98 20.23 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.25 0.548 . . . . 72.44 111.276 -177.429 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.515 ' HB ' HD12 ' A' ' 103' ' ' LEU . 8.3 t -73.58 160.62 31.37 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.011 -0.54 . . . . 73.42 111.514 -178.349 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.551 HG22 ' HA ' ' B' ' 12' ' ' THR . 1.3 p -151.75 150.17 29.88 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.626 -0.716 . . . . 65.01 111.245 -174.815 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.537 HG23 HD21 ' A' ' 59' ' ' LEU . 97.8 t -133.54 135.08 56.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.679 -0.691 . . . . 73.54 109.185 174.885 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 25.5 m -117.88 109.42 16.51 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.682 0.277 . . . . 61.0 110.472 179.58 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.586 ' HB2' ' HB3' ' A' ' 55' ' ' SER . . . -94.73 108.95 20.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 75.0 109.919 178.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.442 ' HA ' ' HA ' ' B' ' 8' ' ' ALA . 24.6 tt0 -105.9 107.67 18.79 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.134 -0.691 . . . . 74.0 109.134 178.712 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.68 HG23 HG22 ' A' ' 97' ' ' VAL . 6.0 p -107.51 137.46 38.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.971 -0.559 . . . . 74.25 111.165 -172.272 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.447 ' HA2' ' HA ' ' B' ' 6' ' ' LYS . . . -134.02 162.2 24.46 Favored Glycine 0 N--CA 1.445 -0.754 0 C-N-CA 121.174 -0.536 . . . . 64.22 112.465 178.353 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -133.44 134.13 57.17 Favored 'Isoleucine or valine' 0 C--O 1.24 0.601 0 N-CA-C 109.132 -0.692 . . . . 71.32 109.132 179.155 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -155.35 169.85 33.33 Favored Glycine 0 N--CA 1.452 -0.27 0 N-CA-C 111.119 -0.792 . . . . 64.2 111.119 178.654 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.478 ' HD3' ' HG ' ' B' ' 4' ' ' LEU . 51.8 Cg_endo -71.08 132.61 21.54 Favored 'Trans proline' 0 N--CA 1.459 -0.542 0 C-N-CA 122.034 1.822 . . . . 75.13 111.518 177.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . 0.454 ' HB2' ' HB2' ' A' ' 94' ' ' ALA . 51.9 t30 -78.82 158.74 28.1 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.452 -0.794 . . . . 63.43 109.618 -179.467 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -59.38 -25.25 64.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.038 0.447 . . . . 74.31 110.824 178.632 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -70.0 -22.36 63.13 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 115.821 -0.627 . . . . 62.35 111.003 177.052 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.54 3.43 43.64 Favored Glycine 0 CA--C 1.519 0.322 0 CA-C-N 115.898 -0.592 . . . . 52.42 112.489 -177.172 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -97.23 -148.96 24.81 Favored Glycine 0 C--N 1.332 0.359 0 N-CA-C 111.176 -0.77 . . . . 74.12 111.176 174.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 55.1 m-85 -111.19 160.48 16.9 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-N 117.07 0.435 . . . . 72.25 109.921 176.343 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.454 ' HB2' ' HB2' ' A' ' 88' ' ' ASN . . . -152.86 145.22 24.02 Favored 'General case' 0 C--O 1.238 0.448 0 CA-C-O 120.703 0.287 . . . . 73.43 110.881 -177.315 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -103.5 138.46 40.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.619 -0.719 . . . . 75.45 110.105 178.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.627 ' HB3' HD11 ' B' ' 3' ' ' ILE . 35.5 t70 -133.82 110.61 9.88 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.364 -0.835 . . . . 62.1 109.114 -177.236 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.68 HG22 HG23 ' A' ' 83' ' ' VAL . 22.7 t -122.27 110.81 28.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 N-CA-C 112.216 0.451 . . . . 41.42 112.216 -171.698 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -79.22 103.09 8.91 Favored 'General case' 0 C--O 1.236 0.346 0 N-CA-C 109.01 -0.737 . . . . 51.52 109.01 170.617 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 21.3 tp -94.08 107.0 18.96 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.243 -0.651 . . . . 73.33 109.243 -179.806 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.587 ' HA ' ' O ' ' A' ' 137' ' ' VAL . 58.6 mtt180 -99.59 118.99 37.35 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.834 -0.621 . . . . 73.43 110.354 -174.357 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 48.5 t -107.72 105.31 18.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 N-CA-C 110.258 -0.275 . . . . 72.23 110.258 -177.785 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -106.5 101.63 11.08 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.941 0.4 . . . . 73.1 110.889 -178.669 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.725 HD23 HD22 ' A' ' 106' ' ' LEU . 37.4 tp -109.74 123.18 37.06 Favored Pre-proline 0 C--N 1.327 -0.371 0 N-CA-C 108.943 -0.762 . . . . 73.31 108.943 177.654 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . 0.559 ' HD2' HD12 ' A' ' 103' ' ' LEU . 57.3 Cg_endo -71.19 146.84 52.47 Favored 'Trans proline' 0 N--CA 1.461 -0.441 0 C-N-CA 122.266 1.978 . . . . 73.52 112.209 -177.3 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 69.03 14.91 68.88 Favored Glycine 0 CA--C 1.519 0.31 0 CA-C-N 115.304 -0.862 . . . . 54.45 112.73 -178.019 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.725 HD22 HD23 ' A' ' 103' ' ' LEU . 33.3 tp -114.15 141.68 47.2 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-O 121.172 0.51 . . . . 65.03 111.24 -178.346 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 33.9 m-20 -84.27 146.44 27.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.517 -0.765 . . . . 72.42 110.486 172.678 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.446 ' O ' ' HG3' ' A' ' 112' ' ' LYS . . . -63.47 -35.16 79.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.982 0.42 . . . . 74.35 110.491 178.385 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -56.89 -49.78 74.5 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.865 -0.607 . . . . 64.13 110.826 179.257 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.514 ' O ' HG22 ' A' ' 113' ' ' THR . . . -73.45 -35.09 65.7 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-O 121.168 0.508 . . . . 73.25 110.162 177.798 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -55.08 -36.21 65.38 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.684 -0.689 . . . . 54.13 110.682 178.549 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.446 ' HG3' ' O ' ' A' ' 108' ' ' ALA . 98.7 mttt -53.71 -43.87 69.37 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 116.114 -0.494 . . . . 74.23 111.221 177.531 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . 0.514 HG22 ' O ' ' A' ' 110' ' ' ALA . 1.2 t -80.11 -35.3 37.02 Favored 'General case' 0 CA--C 1.529 0.141 0 CA-C-O 120.643 0.259 . . . . 74.22 110.309 -177.435 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 44.1 mt -64.48 -45.45 87.28 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-O 120.852 0.358 . . . . 61.01 110.353 -179.64 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.524 HG21 HG12 ' A' ' 138' ' ' VAL . 92.3 t -68.01 -32.7 57.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.99 -0.55 . . . . 72.22 110.054 176.79 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . 0.439 ' HA ' ' CE1' ' A' ' 119' ' ' HIS . 13.4 t70 -58.55 -61.49 2.55 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.449 -0.341 . . . . 63.5 110.514 177.548 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . 0.446 ' HG2' ' O ' ' A' ' 113' ' ' THR . 15.5 ptm180 -61.18 -41.38 96.69 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-N 115.524 -0.762 . . . . 65.24 110.759 -178.594 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -59.54 -41.78 90.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.998 -0.546 . . . . 63.41 111.1 179.013 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . 0.558 ' HB2' ' HB2' ' A' ' 125' ' ' SER . 3.0 p-80 -89.54 13.47 13.85 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-O 121.069 0.461 . . . . 74.13 110.861 178.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 54.8 t-80 -108.55 -34.8 6.63 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 116.007 -0.542 . . . . 75.14 110.57 174.314 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.426 HG23 ' SG ' ' A' ' 122' ' ' CYS . 35.3 m -77.36 -32.99 19.23 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.24 0 CA-C-N 116.119 -0.491 . . . . 74.54 112.094 -176.168 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' CYS . . . . . 0.546 ' HB2' ' OG ' ' A' ' 125' ' ' SER . 33.3 m -91.82 131.12 36.38 Favored Pre-proline 0 CA--C 1.535 0.378 0 CA-C-O 120.516 0.198 . . . . 72.12 110.846 -176.12 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -59.86 -37.82 83.64 Favored 'Trans proline' 0 C--N 1.352 0.72 0 C-N-CA 122.412 2.075 . . . . 74.45 111.744 179.536 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . 0.416 ' HE1' ' CG ' ' B' ' 50' ' ' PHE . 92.3 m-85 -61.34 -34.19 74.86 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 115.937 -0.574 . . . . 65.44 110.727 179.596 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . 0.558 ' HB2' ' HB2' ' A' ' 119' ' ' HIS . 29.4 p -89.0 -24.59 22.34 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.109 -0.496 . . . . 62.44 111.244 -176.01 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' ASN . . . . . 0.545 ' O ' ' HG2' ' A' ' 129' ' ' ARG . 80.4 m-20 -66.53 -31.63 72.48 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.734 0.778 . . . . 73.42 109.067 168.842 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . 0.691 ' HB2' ' HB2' ' B' ' 127' ' ' ALA . . . -71.32 -17.33 62.45 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.03 -0.986 . . . . 54.1 110.979 174.507 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . 0.604 ' OG1' HG21 ' A' ' 134' ' ' VAL . 0.5 OUTLIER -87.96 -5.88 58.31 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.643 0.735 . . . . 73.21 109.272 -170.088 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . 0.545 ' HG2' ' O ' ' A' ' 126' ' ' ASN . 13.5 ptm180 -119.72 -60.03 1.75 Allowed 'General case' 0 N--CA 1.444 -0.746 0 CA-C-N 115.13 -0.941 . . . . 72.04 110.288 -172.181 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 88.3 m-20 -79.28 -24.69 42.74 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.242 -0.436 . . . . 71.52 111.964 -176.324 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . 0.488 ' HB3' ' O ' ' A' ' 127' ' ' ALA . 0.2 OUTLIER -103.93 -42.08 5.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 72.12 110.934 -174.476 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 29.2 t -120.87 158.52 23.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.278 -0.419 . . . . 70.22 110.467 -169.665 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -93.52 97.54 10.59 Favored 'General case' 0 C--O 1.238 0.482 0 CA-C-O 121.692 0.758 . . . . 45.42 110.391 178.568 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . 0.623 HG22 ' HB ' ' A' ' 97' ' ' VAL . 84.9 t -125.62 116.38 46.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.307 -0.861 . . . . 75.02 110.543 -178.171 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . 0.416 HH11 ' HD3' ' A' ' 135' ' ' ARG . 6.6 tpt180 -76.76 105.0 7.57 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 115.726 -0.67 . . . . 72.41 109.697 178.395 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 43.5 mt -75.38 103.37 5.49 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.281 0.562 . . . . 50.04 110.51 177.765 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . 0.587 ' O ' ' HA ' ' A' ' 100' ' ' ARG . 0.2 OUTLIER -113.9 114.61 47.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 115.096 -0.956 . . . . 74.42 109.767 -178.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . 0.524 HG12 HG21 ' A' ' 115' ' ' VAL . 3.3 m -94.78 138.95 19.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 115.678 -0.692 . . . . 53.11 109.72 -177.378 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.315 -0.907 0 CA-C-N 115.805 -0.634 . . . . 73.13 110.755 -175.701 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.513 ' SD ' ' HB2' ' A' ' 96' ' ' ASP . 27.1 ptm . . . . . 0 C--O 1.234 0.28 0 CA-C-O 120.96 0.41 . . . . 72.42 110.714 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 19.0 t30 -99.38 85.47 3.18 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.612 -0.722 . . . . 61.35 109.732 -179.442 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . 0.627 HD11 ' HB3' ' A' ' 96' ' ' ASP . 31.6 mm -68.37 135.27 28.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 115.176 -0.92 . . . . 72.42 112.564 -177.769 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.478 ' HG ' ' HD3' ' A' ' 87' ' ' PRO . 92.1 mt -85.02 -45.06 12.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.599 -0.728 . . . . 75.25 110.128 174.546 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 5' ' ' TYR . . . . . . . . . . . . . 42.9 t80 -140.86 129.65 22.99 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 116.514 -0.312 . . . . 75.45 110.736 -178.073 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . 0.571 ' HB2' HG21 ' B' ' 3' ' ' ILE . 35.2 ttmt -137.28 136.87 38.42 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-O 120.971 0.415 . . . . 65.01 110.781 178.576 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 9.0 t -131.39 148.11 52.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.944 -0.571 . . . . 72.52 109.942 179.68 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . 0.442 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . . . -107.04 144.05 34.26 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-O 120.904 0.383 . . . . 64.22 111.107 -176.606 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . 0.478 ' HA ' ' HA ' ' B' ' 21' ' ' SER . . . -130.4 122.06 27.08 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.132 -0.485 . . . . 31.45 110.284 177.103 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 8.9 t -100.46 125.32 46.75 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.335 -0.393 . . . . 64.31 110.182 179.336 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 11' ' ' SER . . . . . 0.578 ' HA ' ' O ' ' B' ' 18' ' ' ARG . 13.5 p -124.36 119.51 29.45 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.823 0.344 . . . . 74.14 110.961 -179.877 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . 0.551 ' HA ' HG22 ' A' ' 78' ' ' THR . 4.0 m -86.92 165.74 15.67 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.928 -0.578 . . . . 53.42 109.76 175.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -78.47 -1.92 83.27 Favored Glycine 0 N--CA 1.449 -0.493 0 CA-C-O 119.114 -0.826 . . . . 71.12 113.866 -178.579 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 28.81 -140.84 0.01 OUTLIER Glycine 0 C--N 1.348 1.216 0 O-C-N 124.074 0.514 . . . . 73.4 113.244 -174.474 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 94.7 mtt180 -67.65 -47.73 68.69 Favored 'General case' 0 C--O 1.234 0.24 0 N-CA-C 107.025 -1.472 . . . . 65.14 107.025 159.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 16' ' ' ASP . . . . . 0.565 ' HB3' ' HA ' ' B' ' 31' ' ' SER . 25.5 t0 -125.75 -43.1 1.88 Allowed 'General case' 0 C--O 1.235 0.307 0 CA-C-N 114.684 -1.144 . . . . 65.33 111.068 177.624 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 17' ' ' GLY . . . . . 0.43 ' O ' ' HG3' ' B' ' 29' ' ' LYS . . . -167.4 159.92 33.4 Favored Glycine 0 C--N 1.341 0.834 0 C-N-CA 119.606 -1.283 . . . . 74.22 112.578 170.136 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 18' ' ' ARG . . . . . 0.659 ' HA ' ' HA ' ' B' ' 29' ' ' LYS . 5.2 tmm_? -145.67 100.87 3.49 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 108.702 -0.851 . . . . 74.4 108.702 179.116 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 19' ' ' ALA . . . . . 0.434 ' HB2' ' HB2' ' A' ' 56' ' ' ALA . . . -102.43 124.06 47.32 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.88 0.372 . . . . 64.21 111.093 -171.699 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 91.6 m -134.56 116.17 14.73 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.936 -0.574 . . . . 75.11 110.091 178.6 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 21' ' ' SER . . . . . 0.607 ' HB2' ' OE1' ' A' ' 48' ' ' GLN . 30.0 t -76.61 112.72 13.47 Favored 'General case' 0 C--O 1.246 0.903 0 N-CA-C 107.965 -1.124 . . . . 74.21 107.965 175.115 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 22' ' ' HIS . . . . . 0.442 ' C ' ' H ' ' B' ' 24' ' ' GLN . 49.1 t-80 -55.5 -27.71 50.2 Favored 'General case' 0 C--N 1.344 0.339 0 O-C-N 126.484 2.365 . . . . 73.12 112.307 -169.405 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 41.3 t0 -80.61 18.44 0.95 Allowed 'General case' 0 CA--C 1.536 0.412 0 CA-C-O 121.67 0.748 . . . . 63.54 109.419 178.837 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . 0.442 ' H ' ' C ' ' B' ' 22' ' ' HIS . 31.0 mm-40 66.45 22.86 10.64 Favored 'General case' 0 CA--C 1.52 -0.179 0 CA-C-N 114.608 -1.178 . . . . 71.43 110.295 176.689 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -80.55 -26.08 38.22 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.482 -0.781 . . . . 41.25 109.889 176.794 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . 0.542 ' N ' ' HB3' ' B' ' 21' ' ' SER . 55.7 tp -152.35 150.1 29.35 Favored 'General case' 0 C--N 1.344 0.33 0 C-N-CA 119.85 -0.74 . . . . 71.52 111.512 -177.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -162.33 91.01 0.76 Allowed 'General case' 0 N--CA 1.467 0.377 0 O-C-N 123.602 0.564 . . . . 53.33 110.675 175.422 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . 0.463 HG22 HD11 ' B' ' 26' ' ' LEU . 3.7 m -150.8 178.16 0.6 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.681 0 CA-C-O 121.22 0.533 . . . . 74.12 111.647 178.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.659 ' HA ' ' HA ' ' B' ' 18' ' ' ARG . 13.7 ttmt -128.34 145.61 51.02 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.381 -0.827 . . . . 64.31 109.801 177.316 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . 0.878 ' HA ' ' H ' ' B' ' 44' ' ' THR . 0.0 OUTLIER -128.79 157.86 40.29 Favored 'General case' 0 C--O 1.26 1.646 0 CA-C-O 121.567 0.699 . . . . 72.32 111.41 179.066 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . 0.565 ' HA ' ' HB3' ' B' ' 16' ' ' ASP . 48.1 m -156.08 124.55 5.86 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 114.098 -1.41 . . . . 62.35 110.498 -178.713 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.22 128.92 82.73 Favored Pre-proline 0 C--O 1.239 0.503 0 CA-C-N 115.707 -0.679 . . . . 75.13 110.548 179.588 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 33' ' ' PRO . . . . . 0.722 ' HG3' HD21 ' B' ' 45' ' ' ASN . 18.4 Cg_endo -55.35 131.25 45.15 Favored 'Trans proline' 0 C--N 1.351 0.672 0 C-N-CA 122.782 2.321 . . . . 71.3 111.092 -179.122 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 34' ' ' ARG . . . . . 0.757 ' HB2' ' HA3' ' B' ' 40' ' ' GLY . 9.4 ttt180 -74.15 -3.13 27.83 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.601 -0.272 . . . . 71.43 111.102 -173.28 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -57.01 -31.04 64.71 Favored 'General case' 0 CA--C 1.532 0.25 0 CA-C-N 115.932 -0.576 . . . . 72.42 110.625 179.671 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.499 ' HG ' HD12 ' B' ' 85' ' ' ILE . 1.4 mm? -98.18 7.88 45.62 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 115.705 -0.68 . . . . 63.52 110.619 -177.196 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 79.47 59.31 2.71 Favored Glycine 0 N--CA 1.452 -0.24 0 N-CA-C 110.901 -0.88 . . . . 51.22 110.901 -172.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . 0.481 ' H ' ' HA ' ' B' ' 34' ' ' ARG . . . -122.72 -129.41 3.53 Favored Glycine 0 C--N 1.331 0.28 0 C-N-CA 121.581 -0.342 . . . . 64.12 112.436 -174.67 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -94.47 -50.38 5.24 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.982 0.42 . . . . 71.25 110.123 -174.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 40' ' ' GLY . . . . . 0.757 ' HA3' ' HB2' ' B' ' 34' ' ' ARG . . . 62.34 85.02 0.05 OUTLIER Glycine 0 N--CA 1.447 -0.62 0 CA-C-N 115.526 -0.761 . . . . 53.13 112.39 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . 0.452 ' HB3' ' CB ' ' B' ' 31' ' ' SER . . . -144.62 -171.97 3.72 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.887 0.375 . . . . 45.11 111.216 -176.88 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -81.93 9.22 8.62 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-N 115.62 -0.718 . . . . 74.14 111.43 -179.384 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -83.78 -175.4 50.87 Favored Glycine 0 C--N 1.335 0.476 0 C-N-CA 121.349 -0.453 . . . . 72.12 112.493 179.27 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 44' ' ' THR . . . . . 0.878 ' H ' ' HA ' ' B' ' 30' ' ' LEU . 18.1 p -102.02 173.9 6.18 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 122.499 0.319 . . . . 35.03 111.626 -177.511 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 45' ' ' ASN . . . . . 0.722 HD21 ' HG3' ' B' ' 33' ' ' PRO . 3.0 m120 -86.59 122.18 71.88 Favored Pre-proline 0 CA--C 1.538 0.508 0 CA-C-N 116.062 -0.517 . . . . 71.14 110.761 -179.826 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 46' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -56.21 -54.13 4.4 Favored 'Trans proline' 0 CA--C 1.54 0.785 0 C-N-CA 123.036 2.491 . . . . 54.41 113.315 178.368 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.68 -37.79 87.83 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-O 120.811 0.338 . . . . 73.03 110.308 -179.728 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . 0.717 HE22 ' HG3' ' A' ' 25' ' ' LYS . 35.2 tt0 -58.15 -42.8 86.68 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.859 -0.61 . . . . 65.22 110.282 174.599 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 49' ' ' LEU . . . . . 0.62 HD12 ' HA3' ' A' ' 53' ' ' GLY . 3.3 tm? -60.62 -49.19 78.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.362 -0.835 . . . . 73.15 109.676 179.257 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 50' ' ' PHE . . . . . 0.416 ' CG ' ' HE1' ' A' ' 124' ' ' TYR . 66.3 t80 -58.24 -45.13 88.32 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-N 116.418 -0.355 . . . . 74.53 110.671 176.563 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . 0.449 ' HB2' ' CG1' ' B' ' 83' ' ' VAL . . . -54.66 -52.96 60.72 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.212 -0.449 . . . . 63.22 111.342 178.294 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -57.8 -46.97 83.89 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.951 -0.568 . . . . 74.31 111.167 179.566 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . 0.58 ' HA3' HD12 ' A' ' 49' ' ' LEU . . . -65.09 -38.35 95.24 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.98 -0.629 . . . . 73.22 112.212 179.69 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 54' ' ' TYR . . . . . 0.756 ' HA ' ' SG ' ' B' ' 57' ' ' CYS . 2.5 t80 -71.33 -41.49 69.75 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 122.418 0.287 . . . . 73.14 110.519 -177.768 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 55' ' ' SER . . . . . 0.461 ' HB3' ' HB2' ' B' ' 81' ' ' ALA . 21.1 p -65.08 -43.36 92.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.05 0.452 . . . . 71.55 110.124 177.785 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.05 -49.24 76.78 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.771 -0.649 . . . . 72.32 110.801 177.019 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 57' ' ' CYS . . . . . 0.756 ' SG ' ' HA ' ' B' ' 54' ' ' TYR . 21.9 p -65.81 -36.03 82.34 Favored 'General case' 0 C--O 1.225 -0.206 0 CA-C-N 116.282 -0.417 . . . . 72.4 110.5 -178.59 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 32.5 t80 -63.16 -41.1 99.19 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-O 121.197 0.522 . . . . 52.32 109.613 -179.499 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 6.5 tt -64.65 -45.83 85.1 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 115.635 -0.711 . . . . 64.41 109.252 176.65 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 60' ' ' SER . . . . . 0.528 ' HA ' ' HG2' ' B' ' 63' ' ' LYS . 21.3 t -61.09 -34.78 75.47 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-O 121.475 0.655 . . . . 73.23 110.048 177.14 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.03 -42.92 88.99 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.88 -0.6 . . . . 44.1 110.057 178.398 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 62' ' ' MET . . . . . . . . . . . . . 62.7 mmm -63.62 -42.65 98.18 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.373 -0.376 . . . . 71.0 111.688 179.08 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . 0.528 ' HG2' ' HA ' ' B' ' 60' ' ' SER . 21.3 ptmt -67.75 -37.55 82.28 Favored 'General case' 0 N--CA 1.465 0.29 0 C-N-CA 120.643 -0.423 . . . . 72.03 110.303 179.514 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 67.5 t80 -66.89 -46.02 76.23 Favored 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 110.056 -0.349 . . . . 73.11 110.056 177.268 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 25.4 t -55.46 -46.82 78.87 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.102 0 CA-C-N 116.106 -0.497 . . . . 75.05 110.123 175.585 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -57.54 -33.55 68.23 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.809 -0.632 . . . . 74.13 110.424 177.561 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -67.31 -32.0 78.55 Favored Glycine 0 N--CA 1.452 -0.262 0 CA-C-N 115.434 -0.803 . . . . 75.04 112.323 -178.299 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 68' ' ' GLN . . . . . 0.405 ' HG3' HD22 ' B' ' 69' ' ' ASN . 13.5 pt20 -97.4 -14.86 20.96 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 121.362 0.601 . . . . 64.5 109.522 -179.46 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 69' ' ' ASN . . . . . 0.405 HD22 ' HG3' ' B' ' 68' ' ' GLN . 1.1 m-80 -89.72 -3.47 58.18 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.278 -0.874 . . . . 65.21 110.145 175.521 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 62.01 35.37 16.09 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 115.662 -0.699 . . . . 73.12 110.991 176.54 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -128.9 166.25 19.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.19 -0.913 . . . . 74.24 109.815 177.209 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 64.0 p -123.31 144.05 49.68 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.014 0.435 . . . . 74.12 110.588 178.107 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 96.6 mt -109.56 144.44 29.86 Favored Pre-proline 0 C--N 1.324 -0.537 0 CA-C-N 115.66 -0.7 . . . . 75.15 110.358 178.122 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 74' ' ' PRO . . . . . 0.42 ' O ' HG22 ' B' ' 77' ' ' THR . 12.4 Cg_endo -57.06 138.23 85.39 Favored 'Trans proline' 0 C--N 1.348 0.551 0 C-N-CA 122.951 2.434 . . . . 62.01 112.525 178.166 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -71.82 -20.25 61.87 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 121.485 0.66 . . . . 71.53 111.458 -179.284 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -87.69 18.25 4.15 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.246 -0.888 . . . . 60.22 111.603 -171.295 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 77' ' ' THR . . . . . 0.597 ' HB ' HD13 ' B' ' 103' ' ' LEU . 3.5 t -84.67 167.47 16.16 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.017 0.436 . . . . 73.25 111.922 -177.585 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 78' ' ' THR . . . . . 0.425 ' HA ' ' O ' ' A' ' 11' ' ' SER . 1.1 p -151.7 149.29 28.92 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 115.533 -0.758 . . . . 71.23 110.439 177.793 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 73.7 t -131.98 118.22 36.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 N-CA-C 109.489 -0.56 . . . . 54.24 109.489 175.242 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 19.0 m -105.68 113.2 26.62 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-O 120.837 0.351 . . . . 72.42 110.89 -177.472 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 81' ' ' ALA . . . . . 0.461 ' HB2' ' HB3' ' B' ' 55' ' ' SER . . . -93.18 110.74 22.25 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.323 -0.621 . . . . 73.43 109.323 176.082 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 82' ' ' GLU . . . . . 0.525 ' HA ' ' HA ' ' A' ' 8' ' ' ALA . 28.6 tt0 -108.13 109.07 20.39 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.77 -0.455 . . . . 71.23 109.77 -178.758 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . 0.449 ' CG1' ' HB2' ' B' ' 51' ' ' ALA . 18.3 m -101.79 145.9 10.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.025 -0.534 . . . . 71.44 110.813 -177.079 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 84' ' ' GLY . . . . . 0.404 ' HA2' ' HA ' ' A' ' 6' ' ' LYS . . . -139.16 155.44 23.93 Favored Glycine 0 N--CA 1.442 -0.961 0 N-CA-C 111.252 -0.739 . . . . 52.45 111.252 178.037 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 85' ' ' ILE . . . . . 0.556 HD11 ' CD2' ' B' ' 93' ' ' PHE . 0.0 OUTLIER -132.86 130.72 59.03 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 N-CA-C 109.133 -0.692 . . . . 73.1 109.133 -178.674 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -134.81 169.85 23.04 Favored Glycine 0 N--CA 1.452 -0.249 0 CA-C-N 115.25 -0.886 . . . . 52.3 111.009 179.063 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 87' ' ' PRO . . . . . 0.678 ' HD3' ' HG ' ' A' ' 4' ' ' LEU . 79.4 Cg_endo -89.97 139.18 3.09 Favored 'Trans proline' 0 N--CA 1.452 -0.929 0 C-N-CA 122.577 2.185 . . . . 61.3 112.756 -175.282 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 88' ' ' ASN . . . . . . . . . . . . . 55.0 t-20 -102.42 133.22 47.71 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 108.445 -0.946 . . . . 72.3 108.445 174.728 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -58.67 -21.37 54.21 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.148 0.499 . . . . 65.22 110.879 -178.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -67.21 -20.03 65.64 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.554 -0.748 . . . . 74.05 110.789 179.634 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.67 35.33 3.3 Favored Glycine 0 N--CA 1.454 -0.107 0 CA-C-N 115.77 -0.65 . . . . 72.2 112.678 178.246 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . -143.63 175.78 23.4 Favored Glycine 0 N--CA 1.446 -0.678 0 N-CA-C 111.236 -0.746 . . . . 70.13 111.236 177.299 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 93' ' ' PHE . . . . . 0.556 ' CD2' HD11 ' B' ' 85' ' ' ILE . 34.7 m-85 -98.19 138.62 35.19 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.666 -0.494 . . . . 73.12 109.666 178.851 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 94' ' ' ALA . . . . . 0.414 ' HB3' ' HE1' ' A' ' 1' ' ' MET . . . -118.49 136.93 53.53 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.869 -0.605 . . . . 62.21 109.501 -176.16 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -103.48 144.18 31.75 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.371 0.605 . . . . 74.21 111.572 -174.131 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 96' ' ' ASP . . . . . 0.51 ' CB ' HD11 ' A' ' 3' ' ' ILE . 30.5 t70 -136.48 110.36 8.19 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 114.667 -1.151 . . . . 73.53 108.642 179.816 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 97' ' ' VAL . . . . . 0.516 HG13 HG22 ' B' ' 134' ' ' VAL . 2.4 p -125.05 123.67 65.97 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.007 0 CA-C-O 121.305 0.574 . . . . 65.34 111.175 -174.19 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 98' ' ' GLU . . . . . 0.419 ' CG ' ' HB3' ' B' ' 82' ' ' GLU . 9.2 pt-20 -108.64 124.78 51.04 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.715 -0.675 . . . . 74.42 109.919 178.318 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 99' ' ' LEU . . . . . 0.409 HD11 ' CE2' ' B' ' 54' ' ' TYR . 94.0 mt -94.98 107.58 19.62 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.626 -0.715 . . . . 61.12 109.493 178.591 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 100' ' ' ARG . . . . . 0.575 ' HA ' ' O ' ' B' ' 137' ' ' VAL . 80.0 ttt180 -99.53 111.51 23.85 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.072 -0.513 . . . . 64.11 110.036 -176.599 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 101' ' ' VAL . . . . . 0.439 HG21 HG22 ' B' ' 115' ' ' VAL . 96.7 t -103.62 109.44 27.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.045 -0.525 . . . . 60.12 110.902 -173.018 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 102' ' ' ALA . . . . . 0.587 ' HA ' ' HB3' ' B' ' 139' ' ' ALA . . . -107.32 101.14 10.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.037 0.446 . . . . 53.32 110.468 178.482 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 103' ' ' LEU . . . . . 0.597 HD13 ' HB ' ' B' ' 77' ' ' THR . 2.3 mm? -113.6 120.23 39.92 Favored Pre-proline 0 C--N 1.326 -0.452 0 CA-C-N 115.705 -0.679 . . . . 72.24 109.307 177.323 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 104' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -71.47 147.42 52.12 Favored 'Trans proline' 0 N--CA 1.457 -0.627 0 C-N-CA 122.093 1.862 . . . . 74.24 111.817 179.272 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 105' ' ' GLY . . . . . . . . . . . . . . . 67.59 15.22 66.0 Favored Glycine 0 CA--C 1.522 0.521 0 CA-C-N 115.44 -0.8 . . . . 72.34 113.243 -178.459 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 106' ' ' LEU . . . . . 0.451 HD23 ' HB2' ' B' ' 103' ' ' LEU . 28.7 tp -118.71 137.52 53.27 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-O 121.041 0.448 . . . . 60.53 111.037 -178.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -79.05 140.56 37.88 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.475 -0.784 . . . . 63.12 110.682 176.319 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 108' ' ' ALA . . . . . 0.437 ' O ' ' HG3' ' B' ' 112' ' ' LYS . . . -57.49 -37.44 72.95 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.476 -0.329 . . . . 34.32 111.144 178.37 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -57.54 -51.66 68.56 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.099 -0.501 . . . . 64.51 111.001 -179.71 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -69.22 -37.61 78.13 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.16 -0.473 . . . . 72.03 110.32 177.735 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 111' ' ' ALA . . . . . 0.491 ' O ' HG23 ' B' ' 115' ' ' VAL . . . -56.54 -38.95 72.59 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.477 -0.783 . . . . 64.14 110.945 -178.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 112' ' ' LYS . . . . . 0.453 ' HA ' HG11 ' B' ' 138' ' ' VAL . 57.0 mtpt -57.01 -43.35 81.71 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.382 0.61 . . . . 74.45 110.216 178.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 113' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -73.83 -35.15 64.8 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.259 -0.882 . . . . 72.03 110.791 -178.055 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 114' ' ' LEU . . . . . 0.424 HD12 HD21 ' B' ' 106' ' ' LEU . 82.7 mt -65.77 -45.71 81.47 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-O 120.932 0.396 . . . . 70.23 109.964 179.358 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 115' ' ' VAL . . . . . 0.513 HG21 HG12 ' B' ' 138' ' ' VAL . 62.1 t -67.06 -36.79 77.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.997 -0.547 . . . . 63.55 110.037 177.677 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -55.76 -57.69 10.95 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.032 -0.531 . . . . 75.43 110.412 178.255 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 117' ' ' ARG . . . . . . . . . . . . . 10.3 ptm180 -66.99 -39.07 87.05 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.929 -0.578 . . . . 70.2 110.827 -177.067 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 118' ' ' ALA . . . . . 0.436 ' O ' HG22 ' B' ' 121' ' ' VAL . . . -62.81 -31.81 72.88 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.159 0.504 . . . . 61.11 110.766 178.312 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 119' ' ' HIS . . . . . 0.453 ' NE2' HG23 ' B' ' 128' ' ' THR . 44.7 t60 -77.84 5.63 9.19 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 116.015 -0.539 . . . . 74.31 110.652 -179.874 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 62.8 m80 -102.58 -31.73 10.26 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 116.08 -0.509 . . . . 61.52 110.576 174.342 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 121' ' ' VAL . . . . . 0.436 HG22 ' O ' ' B' ' 118' ' ' ALA . 24.7 m -83.1 -10.7 11.94 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.288 0 CA-C-N 116.486 -0.325 . . . . 63.42 111.267 -176.25 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 122' ' ' CYS . . . . . 0.635 ' SG ' HG21 ' B' ' 128' ' ' THR . 18.3 p -65.42 118.68 52.89 Favored Pre-proline 0 CA--C 1.533 0.321 0 N-CA-C 109.875 -0.417 . . . . 74.53 109.875 176.556 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 123' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -53.6 -33.2 67.69 Favored 'Trans proline' 0 C--N 1.353 0.776 0 C-N-CA 123.116 2.544 . . . . 65.25 113.212 -174.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 124' ' ' TYR . . . . . 0.421 ' N ' ' CD2' ' B' ' 124' ' ' TYR . 4.3 m-30 -88.03 46.23 1.36 Allowed 'General case' 0 CA--C 1.536 0.432 0 CA-C-O 121.663 0.745 . . . . 65.35 109.089 -178.494 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 125' ' ' SER . . . . . 0.659 ' O ' HG22 ' B' ' 128' ' ' THR . 12.0 p -58.45 -56.17 25.53 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 114.59 -1.186 . . . . 64.23 113.396 -170.72 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 126' ' ' ASN . . . . . . . . . . . . . 73.3 m-20 -57.44 -42.99 83.54 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.469 0.652 . . . . 74.24 110.033 -175.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 127' ' ' ALA . . . . . 0.691 ' HB2' ' HB2' ' A' ' 127' ' ' ALA . . . -83.1 -0.12 47.63 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 114.909 -1.041 . . . . 65.3 112.086 -174.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 128' ' ' THR . . . . . 0.659 HG22 ' O ' ' B' ' 125' ' ' SER . 1.7 t -106.24 7.11 31.3 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.288 0.566 . . . . 55.14 109.503 -176.138 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 129' ' ' ARG . . . . . 0.442 ' HG2' ' O ' ' B' ' 125' ' ' SER . 14.7 ptm180 -150.16 -60.11 0.2 Allowed 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 115.862 -0.608 . . . . 75.21 112.367 178.38 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 130' ' ' ASN . . . . . . . . . . . . . 88.5 m-20 -78.88 -32.76 46.0 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 112.044 0.387 . . . . 74.14 112.044 -169.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 131' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -90.98 -36.8 13.87 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.458 -0.337 . . . . 75.43 110.469 -179.106 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 132' ' ' VAL . . . . . . . . . . . . . 55.1 t -121.02 131.71 72.32 Favored 'Isoleucine or valine' 0 C--O 1.233 0.21 0 N-CA-C 110.087 -0.338 . . . . 52.13 110.087 -174.022 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 133' ' ' ALA . . . . . . . . . . . . . . . -70.9 103.38 2.62 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 116.093 -0.503 . . . . 72.23 110.629 -178.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 134' ' ' VAL . . . . . 0.516 HG22 HG13 ' B' ' 97' ' ' VAL . 31.4 t -114.3 123.83 70.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.756 -0.656 . . . . 61.1 110.729 -179.522 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 12.2 tpt180 -98.84 124.75 43.95 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.638 -0.504 . . . . 74.32 109.638 175.669 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 71.4 mt -90.67 112.91 24.84 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.227 0.537 . . . . 72.41 110.64 178.123 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 137' ' ' VAL . . . . . 0.575 ' O ' ' HA ' ' B' ' 100' ' ' ARG . 0.3 OUTLIER -119.77 113.83 42.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.17 -0.923 . . . . 72.22 110.075 -178.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 138' ' ' VAL . . . . . 0.513 HG12 HG21 ' B' ' 115' ' ' VAL . 4.0 m -103.15 138.67 26.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.623 -0.717 . . . . 70.52 110.151 -177.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 139' ' ' ALA . . . . . 0.587 ' HB3' ' HA ' ' B' ' 102' ' ' ALA . . . . . . . . 0 C--O 1.251 1.134 0 CA-C-O 118.589 -0.72 . . . . 71.35 110.966 -175.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.445 ' SD ' ' HB2' ' B' ' 96' ' ' ASP . 28.7 ptm . . . . . 0 N--CA 1.483 1.187 0 CA-C-O 120.804 0.335 . . . . 71.43 110.408 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.483 ' O ' ' HD2' ' B' ' 87' ' ' PRO . 38.7 t30 -101.91 84.74 2.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.11 -0.495 . . . . 75.52 109.713 178.572 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.53 HG21 ' HB2' ' A' ' 6' ' ' LYS . 26.3 mm -69.01 127.27 30.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.801 -0.636 . . . . 51.02 111.24 178.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.579 ' HG ' ' HD3' ' B' ' 87' ' ' PRO . 85.8 mt -86.17 -41.67 14.49 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.628 -0.715 . . . . 74.21 110.068 175.677 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 41.1 t80 -139.4 131.08 27.34 Favored 'General case' 0 C--O 1.221 -0.442 0 CA-C-N 116.168 -0.469 . . . . 54.43 110.447 -178.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.53 ' HB2' HG21 ' A' ' 3' ' ' ILE . 31.4 ttmt -140.8 137.1 33.08 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.845 0.355 . . . . 62.42 110.676 176.071 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.468 HG23 ' NE2' ' B' ' 48' ' ' GLN . 15.0 t -141.6 143.49 33.71 Favored 'General case' 0 C--O 1.24 0.584 0 CA-C-N 115.868 -0.605 . . . . 73.02 110.383 179.363 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.538 ' HA ' ' HA ' ' B' ' 82' ' ' GLU . . . -110.19 140.51 44.23 Favored 'General case' 0 N--CA 1.466 0.356 0 N-CA-C 112.401 0.519 . . . . 64.34 112.401 -173.116 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.449 ' HA ' ' H ' ' A' ' 22' ' ' HIS . . . -122.1 125.43 46.18 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.624 -0.716 . . . . 65.14 110.458 178.33 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 69.2 m -98.13 123.39 42.16 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.258 -0.428 . . . . 73.43 110.467 178.591 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 10.7 p -121.33 130.91 53.89 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.129 0.49 . . . . 71.32 110.674 177.297 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.5 m -113.41 154.96 26.1 Favored 'General case' 0 C--O 1.242 0.674 0 CA-C-N 116.3 -0.409 . . . . 72.12 110.65 -179.773 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -85.77 74.6 2.4 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 121.149 -0.548 . . . . 62.44 111.779 177.719 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -63.23 -107.72 0.01 OUTLIER Glycine 0 C--N 1.334 0.46 0 C-N-CA 121.482 -0.39 . . . . 62.02 112.42 178.143 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 47.5 mtt180 -85.87 -55.66 3.85 Favored 'General case' 0 C--N 1.329 -0.284 0 O-C-N 122.238 -0.566 . . . . 73.04 109.678 172.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.578 ' HB3' ' HA ' ' A' ' 31' ' ' SER . 20.1 t70 -125.85 -42.76 1.88 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.118 -0.492 . . . . 74.22 110.289 175.801 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -164.49 143.99 9.01 Favored Glycine 0 C--N 1.345 1.03 0 C-N-CA 119.589 -1.291 . . . . 73.12 112.598 165.755 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 3.0 tmt_? -129.55 111.1 12.4 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.013 -0.736 . . . . 73.24 109.013 175.714 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.645 ' HB1' ' HB1' ' B' ' 52' ' ' ALA . . . -113.58 124.17 51.71 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.731 0.3 . . . . 71.12 111.118 -174.049 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.416 HG23 ' O ' ' A' ' 26' ' ' LEU . 63.4 m -134.55 117.72 16.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 63.53 110.967 -177.684 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.582 ' HB3' ' N ' ' A' ' 26' ' ' LEU . 25.4 t -68.51 106.96 2.74 Favored 'General case' 0 C--O 1.244 0.79 0 N-CA-C 106.509 -1.663 . . . . 62.3 106.509 172.247 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.449 ' H ' ' HA ' ' A' ' 9' ' ' ALA . 48.6 t60 -68.11 -11.8 59.74 Favored 'General case' 0 CA--C 1.519 -0.23 0 O-C-N 125.197 1.561 . . . . 71.44 111.159 -165.272 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.521 ' HB3' ' HE2' ' A' ' 25' ' ' LYS . 23.5 t70 -80.23 14.13 2.06 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.025 -0.731 . . . . 73.43 109.025 174.133 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.41 ' H ' ' C ' ' A' ' 22' ' ' HIS . 28.6 mm-40 69.92 25.31 4.95 Favored 'General case' 0 C--N 1.341 0.222 0 CA-C-N 114.853 -1.067 . . . . 72.53 110.787 175.716 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.521 ' HE2' ' HB3' ' A' ' 23' ' ' ASP . 53.9 mtmt -98.5 -19.25 17.75 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.697 -0.683 . . . . 73.44 111.917 -179.421 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.582 ' N ' ' HB3' ' A' ' 21' ' ' SER . 48.5 tp -151.22 145.59 25.49 Favored 'General case' 0 C--O 1.22 -0.468 0 C-N-CA 120.055 -0.658 . . . . 74.42 110.898 178.023 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -156.21 97.39 1.77 Allowed 'General case' 0 C--O 1.234 0.263 0 O-C-N 123.516 0.51 . . . . 74.13 109.917 175.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 3.7 m -144.33 178.11 1.8 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.375 0 CA-C-O 121.566 0.698 . . . . 62.12 112.057 179.581 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 20.1 ttmt -141.67 140.28 33.18 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 114.834 -1.076 . . . . 62.42 109.686 -178.762 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.788 ' HA ' ' H ' ' A' ' 44' ' ' THR . 0.0 OUTLIER -126.09 162.86 24.36 Favored 'General case' 0 C--O 1.257 1.494 0 CA-C-N 116.251 -0.431 . . . . 64.12 110.751 179.546 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.578 ' HA ' ' HB3' ' A' ' 16' ' ' ASP . 52.5 m -157.77 134.17 9.64 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 115.126 -0.943 . . . . 75.34 110.998 -176.488 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.91 125.72 87.23 Favored Pre-proline 0 C--O 1.239 0.526 0 CA-C-N 115.761 -0.654 . . . . 52.21 110.497 175.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.611 ' HG2' HD23 ' A' ' 36' ' ' LEU . 18.7 Cg_endo -59.43 143.27 99.75 Favored 'Trans proline' 0 C--N 1.35 0.617 0 C-N-CA 122.811 2.341 . . . . 73.33 111.761 -179.344 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.471 ' HG2' ' HA3' ' A' ' 40' ' ' GLY . 0.7 OUTLIER -74.92 -9.45 58.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.319 -0.401 . . . . 50.12 110.661 -176.876 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -60.52 -27.55 67.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.06 -0.518 . . . . 75.14 110.519 178.124 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.611 HD23 ' HG2' ' A' ' 33' ' ' PRO . 2.4 mm? -104.92 13.02 31.78 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 116.08 -0.509 . . . . 63.44 110.437 178.759 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 75.08 31.95 57.0 Favored Glycine 0 C--N 1.332 0.345 0 C-N-CA 121.09 -0.576 . . . . 72.22 111.719 -175.488 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -82.09 -130.5 1.32 Allowed Glycine 0 C--N 1.334 0.42 0 C-N-CA 121.486 -0.388 . . . . 73.44 112.878 -178.287 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -95.87 -39.87 9.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.099 0.476 . . . . 63.22 110.344 -174.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.471 ' HA3' ' HG2' ' A' ' 34' ' ' ARG . . . 70.72 90.24 0.09 OUTLIER Glycine 0 N--CA 1.447 -0.624 0 CA-C-N 115.564 -0.744 . . . . 45.53 112.465 -177.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -163.15 153.17 15.76 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.776 -0.454 . . . . 44.21 109.776 -178.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -73.73 76.04 1.56 Allowed 'General case' 0 CA--C 1.533 0.3 0 CA-C-O 121.75 0.786 . . . . 71.23 110.484 179.526 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -132.31 -152.92 7.19 Favored Glycine 0 N--CA 1.453 -0.208 0 CA-C-N 115.134 -0.939 . . . . 55.55 111.764 179.467 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.788 ' H ' ' HA ' ' A' ' 30' ' ' LEU . 83.3 m -117.24 156.83 27.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.627 0.214 . . . . 74.01 110.533 -177.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 46.2 m-80 -84.22 119.5 73.3 Favored Pre-proline 0 C--O 1.235 0.309 0 N-CA-C 109.739 -0.467 . . . . 72.33 109.739 173.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -53.58 -44.24 50.75 Favored 'Trans proline' 0 C--N 1.349 0.596 0 C-N-CA 122.82 2.346 . . . . 63.04 112.361 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -65.48 -34.44 78.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.839 -0.619 . . . . 62.13 110.277 -177.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.429 ' HA ' HG11 ' A' ' 83' ' ' VAL . 1.0 OUTLIER -67.49 -35.81 79.86 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.828 -0.624 . . . . 72.35 109.358 175.423 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.543 HD12 ' HA3' ' B' ' 53' ' ' GLY . 3.3 tm? -63.16 -46.55 86.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.42 -0.809 . . . . 71.11 109.722 179.724 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 74.3 t80 -63.51 -46.13 87.5 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 116.57 -0.286 . . . . 64.45 110.884 176.45 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.517 ' HB1' ' HB1' ' A' ' 81' ' ' ALA . . . -55.13 -53.21 58.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.349 -0.387 . . . . 52.03 111.103 -179.861 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.98 -35.87 81.77 Favored 'General case' 0 C--O 1.237 0.435 0 CA-C-N 116.004 -0.544 . . . . 51.43 110.643 -179.011 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -66.66 -40.46 94.0 Favored Glycine 0 N--CA 1.447 -0.586 0 CA-C-N 115.602 -0.726 . . . . 45.35 112.115 178.312 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -70.77 -40.96 72.31 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 110.072 -0.344 . . . . 71.4 110.072 -178.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 17.9 p -64.41 -47.62 78.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.924 0.392 . . . . 50.31 110.326 178.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.475 ' HB2' ' HB2' ' B' ' 19' ' ' ALA . . . -65.57 -39.48 91.71 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 116.118 -0.492 . . . . 72.41 110.846 178.378 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 54.0 t -66.89 -36.37 82.14 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.768 -0.651 . . . . 74.4 110.637 178.56 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 37.6 t80 -71.76 -33.87 69.0 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-O 121.024 0.44 . . . . 64.12 110.027 -178.213 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.42 HD21 HG23 ' A' ' 77' ' ' THR . 1.5 tm? -63.55 -51.81 63.78 Favored 'General case' 0 C--O 1.234 0.28 0 N-CA-C 109.127 -0.694 . . . . 74.12 109.127 177.4 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.431 ' HA ' ' HE3' ' A' ' 63' ' ' LYS . 7.8 p -65.5 -36.06 82.73 Favored 'General case' 0 C--O 1.237 0.424 0 CA-C-N 115.794 -0.639 . . . . 74.4 110.75 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -62.99 -51.51 66.56 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 115.998 -0.547 . . . . 64.15 110.699 177.341 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 52.9 mmm -59.17 -33.02 70.43 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 120.794 0.331 . . . . 61.32 110.823 177.631 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.556 ' HE2' ' HA ' ' B' ' 16' ' ' ASP . 22.1 ttpp -64.17 -43.4 95.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 62.32 110.18 175.397 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 90.8 t80 -63.84 -43.59 95.7 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-O 121.056 0.455 . . . . 70.35 109.978 176.147 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 53.9 t -56.82 -45.37 83.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.894 -0.594 . . . . 51.41 110.145 175.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.421 ' HA ' ' HG3' ' A' ' 71' ' ' GLN . . . -61.9 -29.05 69.95 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.774 -0.648 . . . . 55.45 109.875 177.543 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -72.55 -31.74 62.68 Favored Glycine 0 N--CA 1.452 -0.267 0 CA-C-N 115.326 -0.852 . . . . 65.01 112.268 -178.145 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -92.52 -19.56 21.84 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 121.59 0.709 . . . . 73.33 109.156 -179.062 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 17.7 m-80 -93.07 -1.79 56.18 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.054 -0.975 . . . . 73.35 110.449 175.395 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 21.4 mmtm 63.34 20.73 12.43 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 114.919 -1.037 . . . . 70.5 111.22 173.041 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.421 ' HG3' ' HA ' ' A' ' 66' ' ' ALA . 3.0 pt20 -107.25 169.01 8.83 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.67 -0.695 . . . . 65.11 110.013 -179.39 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 20.6 p -127.56 132.13 49.91 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.047 0.451 . . . . 71.13 110.594 178.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -109.33 139.26 20.89 Favored Pre-proline 0 C--N 1.324 -0.541 0 CA-C-N 115.787 -0.642 . . . . 63.13 109.469 175.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.532 ' O ' HG22 ' A' ' 77' ' ' THR . 52.1 Cg_exo -55.39 118.94 5.75 Favored 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 122.425 2.084 . . . . 75.32 112.213 -178.567 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -71.18 -0.16 9.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.419 0.628 . . . . 74.43 111.212 179.554 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -89.82 10.33 24.03 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.376 -0.829 . . . . 72.44 110.401 178.142 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.572 ' HB ' HD22 ' A' ' 103' ' ' LEU . 7.7 t -84.23 152.84 23.97 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 116.016 -0.538 . . . . 73.42 110.773 178.62 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.4 p -128.14 149.21 50.52 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-O 121.135 0.493 . . . . 65.01 110.908 174.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 72.6 t -124.64 110.5 25.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 115.365 -0.834 . . . . 73.54 108.83 173.795 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.554 ' HB ' ' HB2' ' A' ' 100' ' ' ARG . 6.9 m -98.06 113.82 25.8 Favored 'General case' 0 C--N 1.314 -0.967 0 CA-C-N 115.164 -0.925 . . . . 61.0 110.708 -173.083 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.517 ' HB1' ' HB1' ' A' ' 51' ' ' ALA . . . -100.21 105.32 16.89 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.172 -0.467 . . . . 75.0 109.932 -179.306 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.619 ' HG2' ' HD3' ' B' ' 6' ' ' LYS . 29.3 tt0 -107.74 107.58 18.42 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.044 -0.725 . . . . 74.0 109.044 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.429 HG11 ' HA ' ' A' ' 48' ' ' GLN . 7.3 p -111.95 137.2 45.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.11 -0.496 . . . . 74.25 111.391 -170.313 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.48 ' HA2' ' HA ' ' B' ' 6' ' ' LYS . . . -137.07 175.73 20.94 Favored Glycine 0 N--CA 1.446 -0.68 0 CA-C-N 116.034 -0.53 . . . . 64.22 112.421 179.164 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -143.77 136.14 23.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 N-CA-C 109.392 -0.595 . . . . 71.32 109.392 -179.709 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -149.07 169.95 29.45 Favored Glycine 0 CA--C 1.519 0.328 0 N-CA-C 111.137 -0.785 . . . . 64.2 111.137 177.481 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.605 ' HD3' ' HG ' ' B' ' 4' ' ' LEU . 71.6 Cg_endo -75.53 140.44 24.06 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.418 2.079 . . . . 75.13 112.013 -178.651 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . 0.493 ' HB2' ' HB2' ' A' ' 94' ' ' ALA . 51.2 t-20 -96.02 137.74 34.66 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.365 -0.605 . . . . 63.43 109.365 179.585 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -65.02 -10.97 33.95 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 121.003 0.43 . . . . 74.31 111.216 -179.047 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -67.4 -19.16 65.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.861 -0.608 . . . . 62.35 110.417 173.766 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.52 35.28 3.35 Favored Glycine 0 N--CA 1.453 -0.173 0 CA-C-N 115.748 -0.66 . . . . 52.42 112.471 -179.654 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -153.89 -141.58 3.28 Favored Glycine 0 N--CA 1.453 -0.233 0 N-CA-C 111.845 -0.502 . . . . 74.12 111.845 178.802 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 61.7 m-85 -107.94 166.96 10.32 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.829 0.347 . . . . 72.25 110.403 178.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.493 ' HB2' ' HB2' ' A' ' 88' ' ' ASN . . . -149.06 121.36 8.41 Favored 'General case' 0 C--O 1.238 0.49 0 N-CA-C 109.517 -0.549 . . . . 73.43 109.517 178.074 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -94.43 130.1 40.92 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.998 -0.546 . . . . 75.45 110.456 179.727 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -117.69 140.0 50.26 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 114.746 -1.116 . . . . 62.1 108.934 -179.417 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.597 HG13 HG13 ' A' ' 134' ' ' VAL . 3.2 p -140.85 110.72 3.24 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.813 0 CA-C-O 121.873 0.844 . . . . 41.42 110.455 173.033 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -91.6 107.2 19.04 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 114.721 -1.127 . . . . 51.52 109.112 -179.284 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 18.5 tp -99.63 111.64 23.96 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.868 -0.606 . . . . 73.33 110.25 -174.061 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.554 ' HB2' ' HB ' ' A' ' 80' ' ' THR . 70.7 mtt85 -98.97 132.11 44.53 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.746 -0.661 . . . . 73.43 109.966 -178.008 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 47.6 t -115.23 102.58 13.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.245 -0.434 . . . . 72.23 110.66 -178.143 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -99.4 100.9 12.02 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.884 -0.413 . . . . 73.1 109.884 177.081 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.647 HD12 ' HB2' ' A' ' 106' ' ' LEU . 2.5 tm? -111.67 115.42 51.38 Favored Pre-proline 0 C--O 1.235 0.333 0 N-CA-C 108.454 -0.943 . . . . 73.31 108.454 179.651 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . 0.528 ' HD2' HD22 ' A' ' 103' ' ' LEU . 37.0 Cg_endo -65.27 144.56 81.21 Favored 'Trans proline' 0 N--CA 1.464 -0.228 0 C-N-CA 122.829 2.353 . . . . 73.52 112.947 -176.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 69.48 14.41 69.38 Favored Glycine 0 CA--C 1.521 0.426 0 CA-C-N 115.319 -0.855 . . . . 54.45 112.911 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.647 ' HB2' HD12 ' A' ' 103' ' ' LEU . 33.1 tp -117.55 136.98 52.88 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-O 120.791 0.329 . . . . 65.03 111.254 -178.445 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -73.32 164.83 26.12 Favored 'General case' 0 CA--C 1.512 -0.489 0 CA-C-N 115.717 -0.674 . . . . 72.42 110.856 -178.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.546 ' O ' ' HG3' ' A' ' 112' ' ' LYS . . . -68.63 -45.81 70.87 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.44 -0.8 . . . . 74.35 109.674 170.541 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -61.58 -45.28 94.77 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 115.538 -0.755 . . . . 64.13 110.761 -176.175 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.475 ' O ' HG22 ' A' ' 113' ' ' THR . . . -71.43 -45.16 63.39 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.719 -0.673 . . . . 73.25 110.052 178.847 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -54.56 -40.91 69.19 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-N 116.078 -0.51 . . . . 54.13 111.686 -178.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.546 ' HG3' ' O ' ' A' ' 108' ' ' ALA . 97.3 mttt -56.73 -39.59 74.22 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 120.583 0.23 . . . . 74.23 111.486 -178.414 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . 0.475 HG22 ' O ' ' A' ' 110' ' ' ALA . 1.2 t -82.03 -35.86 28.37 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-O 120.709 0.29 . . . . 74.22 110.801 -178.471 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.451 ' HG ' ' O ' ' A' ' 110' ' ' ALA . 45.1 mt -66.38 -44.25 83.64 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-O 121.139 0.495 . . . . 61.01 110.083 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.583 HG21 HG12 ' A' ' 138' ' ' VAL . 55.9 t -61.59 -41.19 89.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.655 -0.702 . . . . 72.22 110.148 176.361 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -57.7 -61.46 2.5 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.802 -0.635 . . . . 63.5 110.585 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . 0.505 ' O ' HG22 ' A' ' 121' ' ' VAL . 12.2 ptm180 -61.27 -44.94 96.41 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.659 -0.701 . . . . 65.24 111.079 -175.882 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -58.1 -51.11 71.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.97 0.414 . . . . 63.41 111.076 -178.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . 0.445 ' CE1' HG13 ' A' ' 115' ' ' VAL . 72.4 m80 -75.28 -12.02 60.19 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 116.275 -0.42 . . . . 74.13 111.449 -176.759 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 12.4 t-160 -94.71 -35.87 11.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.231 -0.44 . . . . 75.14 110.913 -178.584 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.505 HG22 ' O ' ' A' ' 117' ' ' ARG . 21.6 m -91.88 -19.79 6.87 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.338 0 CA-C-N 116.691 -0.231 . . . . 74.54 111.588 -177.708 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 49.7 t -135.13 72.28 67.15 Favored Pre-proline 0 CA--C 1.535 0.373 0 CA-C-O 121.103 0.477 . . . . 72.12 111.237 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 92.4 Cg_endo -97.83 137.72 0.42 Allowed 'Trans proline' 0 N--CA 1.452 -0.941 0 C-N-CA 123.033 2.489 . . . . 74.45 111.679 171.548 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . 0.404 ' HE1' ' CG ' ' B' ' 50' ' ' PHE . 12.5 t80 -57.81 -25.13 60.18 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-O 121.65 0.738 . . . . 65.44 109.467 176.529 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . 0.582 ' O ' HG22 ' A' ' 128' ' ' THR . 47.4 t -162.84 140.39 7.99 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 107.653 -1.24 . . . . 62.44 107.653 173.105 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 64.2 t30 -72.21 -31.82 66.21 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.966 0.889 . . . . 73.42 108.959 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . 0.694 ' O ' ' HB3' ' A' ' 131' ' ' ASN . . . -76.84 6.95 5.28 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 114.563 -1.199 . . . . 54.1 111.568 178.408 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . 0.582 HG22 ' O ' ' A' ' 125' ' ' SER . 1.6 t -93.42 -10.16 36.11 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 108.656 -0.868 . . . . 73.21 108.656 -179.753 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . 0.458 HH12 HD11 ' A' ' 136' ' ' LEU . 6.3 ptp180 -127.25 -42.56 1.68 Allowed 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 115.315 -0.857 . . . . 72.04 111.343 -178.016 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 12.1 m120 -71.9 -25.48 61.94 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.334 -0.394 . . . . 71.52 110.471 176.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . 0.694 ' HB3' ' O ' ' A' ' 127' ' ' ALA . 7.5 t30 -103.79 -40.34 6.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.09 -0.505 . . . . 72.12 110.689 -179.712 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . 0.49 ' HB ' ' O ' ' A' ' 128' ' ' THR . 22.8 t -103.59 144.2 14.43 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.206 0 CA-C-N 116.05 -0.523 . . . . 70.22 110.112 -177.111 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -80.25 103.94 10.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.073 0.463 . . . . 45.42 111.48 -175.37 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . 0.597 HG13 HG13 ' A' ' 97' ' ' VAL . 11.0 t -115.08 113.83 44.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.828 -0.624 . . . . 75.02 110.172 174.694 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.48 97.4 10.46 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.402 -0.592 . . . . 72.41 109.402 -179.878 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.458 HD11 HH12 ' A' ' 129' ' ' ARG . 53.0 mt -75.13 122.27 23.34 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 121.13 0.491 . . . . 50.04 110.673 178.567 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . 0.467 ' O ' ' HA ' ' A' ' 100' ' ' ARG . 0.1 OUTLIER -133.73 133.73 56.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.448 -0.796 . . . . 74.42 110.052 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . 0.583 HG12 HG21 ' A' ' 115' ' ' VAL . 3.3 m -101.22 139.05 23.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.03 -0.532 . . . . 53.11 110.351 -177.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.314 -0.945 0 CA-C-N 115.744 -0.662 . . . . 73.13 110.898 -177.136 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 28.5 ptm . . . . . 0 C--O 1.235 0.317 0 CA-C-O 120.912 0.387 . . . . 72.42 110.734 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 2' ' ' ASN . . . . . 0.455 ' O ' ' HD2' ' A' ' 87' ' ' PRO . 43.2 t30 -100.36 86.71 3.24 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.791 -0.641 . . . . 61.35 109.579 178.674 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . 0.52 HG21 ' HB2' ' B' ' 6' ' ' LYS . 29.0 mm -65.41 123.84 19.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 115.705 -0.68 . . . . 72.42 111.267 178.688 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.605 ' HG ' ' HD3' ' A' ' 87' ' ' PRO . 91.8 mt -80.71 -43.71 19.86 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.616 -0.72 . . . . 75.25 110.168 176.872 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 5' ' ' TYR . . . . . . . . . . . . . 52.9 t80 -142.25 132.44 24.77 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 116.157 -0.474 . . . . 75.45 110.714 -178.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . 0.619 ' HD3' ' HG2' ' A' ' 82' ' ' GLU . 32.1 ttmt -138.62 145.84 41.0 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.941 0.401 . . . . 65.01 111.019 178.217 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 9.3 t -137.51 161.08 37.33 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.484 -0.78 . . . . 72.52 108.979 176.779 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . 0.462 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . . . -126.09 149.25 49.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.306 0.574 . . . . 64.22 112.031 -173.082 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . 0.579 ' HA ' ' H ' ' B' ' 22' ' ' HIS . . . -140.78 155.96 46.28 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.272 -0.876 . . . . 31.45 108.93 175.509 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . 0.544 ' HA ' ' HA ' ' A' ' 80' ' ' THR . 9.0 t -138.68 128.43 24.98 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 108.65 -0.871 . . . . 64.31 108.65 -178.029 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 50.6 m -119.09 113.72 21.37 Favored 'General case' 0 C--N 1.314 -0.967 0 CA-C-N 115.892 -0.595 . . . . 74.14 111.001 -173.634 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . 0.455 ' HB ' ' HE ' ' B' ' 18' ' ' ARG . 3.5 m -95.84 157.7 15.78 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 116.03 -0.532 . . . . 53.42 110.546 -179.495 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -92.24 74.15 1.44 Allowed Glycine 0 N--CA 1.448 -0.543 0 N-CA-C 111.425 -0.67 . . . . 71.12 111.425 174.152 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -58.02 -99.44 0.01 OUTLIER Glycine 0 C--N 1.339 0.745 0 C-N-CA 121.03 -0.605 . . . . 73.4 112.548 179.459 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 16.1 tpp180 -88.8 -55.1 3.84 Favored 'General case' 0 C--N 1.329 -0.313 0 O-C-N 122.49 -0.418 . . . . 65.14 109.941 174.207 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 16' ' ' ASP . . . . . 0.556 ' HA ' ' HE2' ' A' ' 63' ' ' LYS . 12.8 t70 -125.56 -42.8 1.92 Allowed 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.72 -0.474 . . . . 65.33 109.72 177.816 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -164.86 154.86 25.92 Favored Glycine 0 C--N 1.337 0.61 0 C-N-CA 120.294 -0.955 . . . . 74.22 111.952 164.401 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 18' ' ' ARG . . . . . 0.491 ' HA ' ' HA ' ' B' ' 29' ' ' LYS . 14.8 ttp180 -137.73 148.18 45.39 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.94 -0.393 . . . . 74.4 109.94 176.195 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 19' ' ' ALA . . . . . 0.475 ' HB2' ' HB2' ' A' ' 56' ' ' ALA . . . -137.7 123.93 20.5 Favored 'General case' 0 C--O 1.236 0.364 0 N-CA-C 109.968 -0.382 . . . . 64.21 109.968 178.789 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 23.3 m -131.3 114.66 15.3 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.461 -0.336 . . . . 75.11 110.927 -175.177 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 21' ' ' SER . . . . . 0.53 ' HB3' ' N ' ' B' ' 26' ' ' LEU . 36.7 t -68.92 110.72 4.55 Favored 'General case' 0 C--O 1.248 1.017 0 N-CA-C 107.537 -1.283 . . . . 74.21 107.537 175.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 22' ' ' HIS . . . . . 0.579 ' H ' ' HA ' ' B' ' 9' ' ' ALA . 37.9 t60 -51.09 -28.34 10.35 Favored 'General case' 0 N--CA 1.467 0.418 0 O-C-N 125.926 2.016 . . . . 73.12 112.453 -167.521 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -80.51 23.91 0.49 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.225 0.536 . . . . 63.54 110.089 -176.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . 0.439 ' H ' ' C ' ' B' ' 22' ' ' HIS . 27.8 mm-40 62.33 21.27 12.42 Favored 'General case' 0 C--N 1.341 0.237 0 CA-C-N 115.339 -0.846 . . . . 71.43 110.202 178.466 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.426 ' HA ' ' HD3' ' B' ' 25' ' ' LYS . 29.7 mmtp -93.52 -20.53 20.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.242 -0.89 . . . . 41.25 111.658 -177.415 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . 0.53 ' N ' ' HB3' ' B' ' 21' ' ' SER . 58.1 tp -148.38 145.11 27.92 Favored 'General case' 0 C--O 1.221 -0.401 0 C-N-CA 119.806 -0.758 . . . . 71.52 110.838 175.877 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -156.17 91.83 1.29 Allowed 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.076 -0.713 . . . . 53.33 109.076 174.638 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 4.9 m -132.88 175.43 11.42 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.315 0 CA-C-N 116.004 -0.543 . . . . 74.12 111.28 -178.127 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.491 ' HA ' ' HA ' ' B' ' 18' ' ' ARG . 15.1 tttm -143.25 138.91 29.96 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.754 -0.657 . . . . 64.31 110.782 -174.507 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . 0.714 ' HA ' ' H ' ' B' ' 44' ' ' THR . 0.0 OUTLIER -124.93 166.84 15.58 Favored 'General case' 0 C--O 1.254 1.313 0 CA-C-O 121.17 0.51 . . . . 72.32 110.988 179.478 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . 0.525 ' HA ' ' HB3' ' B' ' 16' ' ' ASP . 46.4 m -155.41 123.79 5.92 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 115.158 -0.928 . . . . 62.35 110.707 -175.263 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.44 118.28 35.64 Favored Pre-proline 0 C--O 1.239 0.547 0 CA-C-N 116.02 -0.537 . . . . 75.13 110.409 177.273 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 33' ' ' PRO . . . . . 0.403 ' HG2' HD21 ' B' ' 45' ' ' ASN . 82.1 Cg_exo -49.14 128.85 20.62 Favored 'Trans proline' 0 C--N 1.351 0.674 0 C-N-CA 122.784 2.322 . . . . 71.3 111.543 177.82 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 34' ' ' ARG . . . . . 0.466 ' HA ' ' H ' ' B' ' 38' ' ' GLY . 51.3 ttt180 -64.07 -12.45 39.08 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.369 -0.378 . . . . 71.43 111.207 -173.185 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 43.9 mm-40 -47.98 -39.8 20.57 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 121.443 0.64 . . . . 72.42 110.845 174.824 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 24.1 mt -97.98 11.04 38.82 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 114.977 -1.01 . . . . 63.52 111.108 -171.155 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 88.3 58.19 1.79 Allowed Glycine 0 N--CA 1.452 -0.277 0 CA-C-N 115.91 -0.587 . . . . 51.22 111.68 -177.077 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . 0.466 ' H ' ' HA ' ' B' ' 34' ' ' ARG . . . -130.68 -136.44 3.97 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 121.177 -0.535 . . . . 64.12 111.999 -177.872 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -111.65 -24.23 10.2 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.676 0.274 . . . . 71.25 111.475 -176.802 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 55.58 29.19 53.4 Favored Glycine 0 CA--C 1.522 0.515 0 C-N-CA 121.365 -0.445 . . . . 53.13 113.164 -175.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -74.44 171.85 13.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.856 0.36 . . . . 45.11 111.169 -178.776 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -72.49 82.29 1.08 Allowed 'General case' 0 C--O 1.235 0.309 0 CA-C-O 121.908 0.861 . . . . 74.14 110.272 177.386 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -145.4 -170.98 14.67 Favored Glycine 0 C--N 1.316 -0.546 0 CA-C-N 114.953 -1.021 . . . . 72.12 111.226 175.736 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 44' ' ' THR . . . . . 0.714 ' H ' ' HA ' ' B' ' 30' ' ' LEU . 15.3 t -114.29 -179.1 3.53 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.865 -0.42 . . . . 35.03 109.865 178.564 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 45' ' ' ASN . . . . . 0.486 ' HB3' ' OE1' ' B' ' 47' ' ' GLU . 5.0 m120 -94.96 135.94 23.2 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 71.14 110.99 -177.211 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 46' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_endo -68.6 -44.93 2.71 Favored 'Trans proline' 0 C--N 1.348 0.551 0 C-N-CA 122.627 2.218 . . . . 54.41 112.345 179.764 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 47' ' ' GLU . . . . . 0.486 ' OE1' ' HB3' ' B' ' 45' ' ' ASN . 0.5 OUTLIER -72.06 -30.22 64.93 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-O 121.058 0.456 . . . . 73.03 109.9 -178.352 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . 0.69 ' HA ' HE21 ' B' ' 48' ' ' GLN . 0.0 OUTLIER -66.37 -40.73 89.94 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 115.939 -0.573 . . . . 65.22 110.046 172.534 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -59.06 -47.92 83.48 Favored 'General case' 0 C--O 1.238 0.467 0 CA-C-N 115.592 -0.731 . . . . 73.15 109.206 177.726 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 50' ' ' PHE . . . . . 0.404 ' CG ' ' HE1' ' A' ' 124' ' ' TYR . 78.5 t80 -59.73 -45.32 92.54 Favored 'General case' 0 C--O 1.226 -0.141 0 CA-C-N 115.832 -0.622 . . . . 74.53 110.556 175.583 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -53.28 -52.87 57.68 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.171 -0.468 . . . . 63.22 111.003 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 52' ' ' ALA . . . . . 0.645 ' HB1' ' HB1' ' A' ' 19' ' ' ALA . . . -59.84 -50.37 74.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.716 -0.674 . . . . 74.31 111.088 179.688 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . 0.543 ' HA3' HD12 ' A' ' 49' ' ' LEU . . . -62.63 -39.44 97.9 Favored Glycine 0 C--N 1.332 0.326 0 C-N-CA 121.119 -0.562 . . . . 73.22 112.705 -178.449 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -70.25 -48.17 58.08 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 122.965 0.506 . . . . 73.14 110.562 -178.427 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 57.3 p -61.98 -41.02 97.56 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.794 0.331 . . . . 71.55 110.228 -179.381 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 56' ' ' ALA . . . . . 0.427 ' HB2' ' HB2' ' A' ' 19' ' ' ALA . . . -65.05 -45.12 86.67 Favored 'General case' 0 CA--C 1.528 0.1 0 CA-C-N 116.16 -0.473 . . . . 72.32 110.272 175.346 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 57' ' ' CYS . . . . . . . . . . . . . 53.7 t -57.97 -36.56 72.77 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.989 -0.551 . . . . 72.4 110.187 177.611 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 19.9 t80 -64.17 -32.8 74.51 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 116.135 -0.484 . . . . 52.32 109.821 -179.668 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . 0.423 HD21 HG23 ' B' ' 79' ' ' VAL . 95.2 mt -69.0 -45.92 69.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.736 -0.665 . . . . 64.41 109.997 175.749 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 16.2 m -60.56 -35.33 75.78 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 116.029 -0.532 . . . . 73.23 110.416 176.665 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.44 -45.91 81.98 Favored 'General case' 0 C--N 1.333 -0.114 0 CA-C-N 115.981 -0.554 . . . . 44.1 110.14 176.768 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 62' ' ' MET . . . . . 0.776 ' HG2' HD12 ' B' ' 73' ' ' LEU . 0.0 OUTLIER -53.15 -53.17 54.37 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 121.716 0.769 . . . . 71.0 110.188 174.212 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . 0.598 ' N ' ' SD ' ' B' ' 62' ' ' MET . 27.3 tptp -52.83 -51.91 59.07 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 114.315 -1.312 . . . . 72.03 111.452 178.79 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 73.0 t80 -62.65 -43.33 99.09 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-O 120.81 0.338 . . . . 73.11 110.126 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 2.6 t -50.73 -54.1 10.99 Favored 'Isoleucine or valine' 0 C--O 1.234 0.286 0 CA-C-N 115.73 -0.668 . . . . 75.05 110.464 175.812 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 66' ' ' ALA . . . . . 0.583 ' HA ' ' HG3' ' B' ' 71' ' ' GLN . . . -62.39 -32.71 73.57 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.595 -0.729 . . . . 74.13 109.772 -178.56 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -70.91 -27.84 71.59 Favored Glycine 0 N--CA 1.448 -0.52 0 CA-C-N 114.891 -1.05 . . . . 75.04 112.646 -178.2 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 68' ' ' GLN . . . . . 0.404 HE21 ' HB2' ' B' ' 68' ' ' GLN . 2.2 pt20 -96.26 -22.89 16.96 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-O 121.189 0.518 . . . . 64.5 109.812 -177.856 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 69' ' ' ASN . . . . . 0.449 ' CB ' ' HG2' ' B' ' 71' ' ' GLN . 25.5 m-80 -94.41 3.48 55.12 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.426 -0.806 . . . . 65.21 111.245 -179.374 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 8.1 mptt 59.78 29.0 18.56 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-O 121.284 0.564 . . . . 73.12 110.821 176.192 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . 0.583 ' HG3' ' HA ' ' B' ' 66' ' ' ALA . 2.6 pt20 -124.13 169.88 11.26 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.652 -0.703 . . . . 74.24 110.385 -174.851 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 14.6 p -128.25 128.22 44.27 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.382 -0.372 . . . . 74.12 110.854 176.095 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . 0.776 HD12 ' HG2' ' B' ' 62' ' ' MET . 35.8 mt -102.59 155.11 36.94 Favored Pre-proline 0 C--N 1.328 -0.364 0 N-CA-C 108.833 -0.803 . . . . 75.15 108.833 177.396 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 74' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_exo -55.66 105.74 0.17 Allowed 'Trans proline' 0 C--N 1.348 0.541 0 C-N-CA 122.391 2.061 . . . . 62.01 112.347 -177.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -77.01 -5.4 48.58 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.336 -0.393 . . . . 71.53 111.896 -177.148 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -87.52 14.54 8.04 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-O 121.752 0.787 . . . . 60.22 110.291 -178.308 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 77' ' ' THR . . . . . 0.453 ' HB ' HD12 ' B' ' 103' ' ' LEU . 4.2 t -78.71 169.56 18.04 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.29 -0.868 . . . . 73.25 112.027 -177.016 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 23.3 m -150.4 149.24 29.78 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-N 115.622 -0.717 . . . . 71.23 109.36 177.088 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 79' ' ' VAL . . . . . 0.423 HG23 HD21 ' B' ' 59' ' ' LEU . 93.6 t -124.83 147.26 29.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 N-CA-C 109.66 -0.496 . . . . 54.24 109.66 179.665 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 31.5 m -132.02 111.73 11.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.864 0.364 . . . . 72.42 110.3 173.624 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -95.21 104.61 16.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.899 -0.591 . . . . 73.43 110.262 179.486 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 82' ' ' GLU . . . . . 0.538 ' HA ' ' HA ' ' A' ' 8' ' ' ALA . 34.0 tt0 -103.52 109.59 21.3 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.862 -0.422 . . . . 71.23 109.862 -179.658 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . 0.431 HG12 ' HB ' ' B' ' 97' ' ' VAL . 18.6 m -104.55 143.19 16.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.866 0.365 . . . . 71.44 111.038 -175.684 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 84' ' ' GLY . . . . . 0.412 ' HA2' ' HA ' ' A' ' 6' ' ' LYS . . . -140.52 161.67 26.57 Favored Glycine 0 N--CA 1.441 -1.03 0 N-CA-C 111.524 -0.63 . . . . 52.45 111.524 178.07 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -140.64 132.01 29.81 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.84 0 N-CA-C 109.625 -0.509 . . . . 73.1 109.625 -177.663 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -144.03 169.84 26.08 Favored Glycine 0 CA--C 1.518 0.24 0 N-CA-C 110.948 -0.861 . . . . 52.3 110.948 178.723 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 87' ' ' PRO . . . . . 0.579 ' HD3' ' HG ' ' A' ' 4' ' ' LEU . 73.3 Cg_endo -75.11 138.87 23.33 Favored 'Trans proline' 0 C--O 1.234 0.3 0 C-N-CA 122.18 1.92 . . . . 61.3 112.211 -177.888 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 88' ' ' ASN . . . . . . . . . . . . . 53.7 t-20 -94.46 137.52 33.49 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.022 -0.732 . . . . 72.3 109.022 178.383 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -66.25 -12.59 57.21 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 121.149 0.499 . . . . 65.22 110.867 -177.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -67.44 -19.88 65.43 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-O 121.659 0.742 . . . . 74.05 110.235 173.129 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.43 35.12 3.42 Favored Glycine 0 N--CA 1.452 -0.24 0 CA-C-N 115.144 -0.934 . . . . 72.2 112.283 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . -145.93 -140.59 3.52 Favored Glycine 0 N--CA 1.451 -0.308 0 N-CA-C 111.091 -0.804 . . . . 70.13 111.091 177.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 93' ' ' PHE . . . . . . . . . . . . . 27.3 m-85 -117.17 166.89 11.71 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.933 -0.395 . . . . 73.12 109.933 175.417 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -145.72 130.8 18.34 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.639 -0.71 . . . . 62.21 109.503 -178.802 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -99.91 127.06 46.13 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-O 121.095 0.474 . . . . 74.21 111.066 -175.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 96' ' ' ASP . . . . . 0.445 ' HB2' ' SD ' ' A' ' 1' ' ' MET . 32.5 t70 -114.69 110.27 19.49 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.174 -0.921 . . . . 73.53 109.021 177.109 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 97' ' ' VAL . . . . . 0.627 HG13 HG22 ' B' ' 134' ' ' VAL . 0.2 OUTLIER -121.3 119.19 58.43 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.956 0 CA-C-O 121.407 0.622 . . . . 65.34 110.574 -176.681 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 98' ' ' GLU . . . . . 0.514 ' HG2' HG11 ' B' ' 137' ' ' VAL . 34.2 tt0 -107.15 118.76 37.57 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.192 -0.913 . . . . 74.42 109.818 -174.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 77.1 mt -103.88 112.1 24.92 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 120.647 0.261 . . . . 61.12 110.387 -177.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 100' ' ' ARG . . . . . 0.536 ' HA ' ' O ' ' B' ' 137' ' ' VAL . 70.3 mtt180 -99.54 120.48 39.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.135 -0.484 . . . . 64.11 110.717 -177.332 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 101' ' ' VAL . . . . . . . . . . . . . 94.8 t -109.72 103.37 15.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.955 -0.566 . . . . 60.12 110.922 -176.809 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 102' ' ' ALA . . . . . 0.542 ' HA ' ' HB3' ' B' ' 139' ' ' ALA . . . -92.51 101.17 13.61 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.735 -0.839 . . . . 53.32 108.735 172.867 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 103' ' ' LEU . . . . . 0.555 HD12 ' HD2' ' B' ' 104' ' ' PRO . 17.1 tp -120.19 107.86 38.95 Favored Pre-proline 0 C--N 1.33 -0.271 0 N-CA-C 109.182 -0.673 . . . . 72.24 109.182 -173.505 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 104' ' ' PRO . . . . . 0.555 ' HD2' HD12 ' B' ' 103' ' ' LEU . 80.9 Cg_endo -73.59 156.67 49.33 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 123.201 2.601 . . . . 74.24 113.109 -171.823 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 105' ' ' GLY . . . . . . . . . . . . . . . 71.74 15.67 75.87 Favored Glycine 0 C--N 1.334 0.434 0 CA-C-N 115.951 -0.568 . . . . 72.34 112.326 179.398 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 106' ' ' LEU . . . . . 0.508 ' CD2' HD23 ' B' ' 103' ' ' LEU . 23.9 tp -138.16 141.12 40.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.688 0.28 . . . . 60.53 111.195 -172.626 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -76.63 147.14 37.73 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 115.913 -0.585 . . . . 63.12 110.207 174.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -64.35 -36.3 83.69 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.824 0.345 . . . . 34.32 110.932 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -59.02 -51.64 69.18 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 116.132 -0.485 . . . . 64.51 110.779 179.799 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 110' ' ' ALA . . . . . 0.47 ' O ' HG22 ' B' ' 113' ' ' THR . . . -68.98 -37.5 78.8 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-O 121.12 0.486 . . . . 72.03 110.309 177.373 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 111' ' ' ALA . . . . . 0.503 ' HA ' HD21 ' B' ' 106' ' ' LEU . . . -55.53 -36.15 66.43 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.745 -0.661 . . . . 64.14 110.689 179.084 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 112' ' ' LYS . . . . . . . . . . . . . 50.6 mttm -54.45 -49.26 70.46 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.2 -0.454 . . . . 74.45 110.893 176.352 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 113' ' ' THR . . . . . 0.47 HG22 ' O ' ' B' ' 110' ' ' ALA . 1.1 t -74.87 -33.84 62.14 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 121.105 -0.238 . . . . 72.03 110.766 -175.614 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 46.0 mt -67.11 -48.74 67.21 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 116.581 -0.281 . . . . 70.23 110.368 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 115' ' ' VAL . . . . . 0.551 ' O ' ' HB2' ' B' ' 119' ' ' HIS . 86.4 t -65.26 -34.51 70.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.198 -0.455 . . . . 63.55 109.94 176.671 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -62.22 -53.63 52.41 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 116.385 -0.37 . . . . 75.43 111.269 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 117' ' ' ARG . . . . . 0.438 ' HG2' ' O ' ' B' ' 113' ' ' THR . 5.2 ptm180 -68.36 -38.2 81.18 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 116.13 -0.486 . . . . 70.2 110.267 -177.372 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -61.12 -39.66 90.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.338 0.589 . . . . 61.11 109.522 174.6 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 119' ' ' HIS . . . . . 0.551 ' HB2' ' O ' ' B' ' 115' ' ' VAL . 2.8 t-80 -78.69 10.88 2.89 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 115.241 -0.89 . . . . 74.31 110.574 178.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 15.8 m170 -108.56 -40.32 5.14 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-O 120.684 0.278 . . . . 61.52 110.433 173.243 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 35.0 m -84.54 -37.56 12.78 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.292 0 N-CA-C 112.023 0.379 . . . . 63.42 112.023 -175.193 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 122' ' ' CYS . . . . . . . . . . . . . 81.9 m -65.49 143.24 98.62 Favored Pre-proline 0 CA--C 1.534 0.361 0 CA-C-N 116.703 -0.226 . . . . 74.53 111.514 -174.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 123' ' ' PRO . . . . . 0.401 ' C ' ' H ' ' B' ' 125' ' ' SER . 38.6 Cg_endo -65.51 166.51 19.46 Favored 'Trans proline' 0 C--N 1.354 0.851 0 C-N-CA 122.671 2.247 . . . . 65.25 111.179 176.755 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 124' ' ' TYR . . . . . . . . . . . . . 85.3 m-85 72.25 -45.91 0.63 Allowed 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 123.163 0.585 . . . . 65.35 110.747 -175.487 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 125' ' ' SER . . . . . 0.609 ' HA ' HG22 ' B' ' 128' ' ' THR . 25.7 t -53.86 -43.49 69.57 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 115.727 -0.67 . . . . 64.23 112.394 -174.144 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 126' ' ' ASN . . . . . 0.489 HD21 ' ND2' ' A' ' 131' ' ' ASN . 24.8 p-10 -59.34 -40.22 85.66 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.258 0.552 . . . . 74.24 110.219 -179.064 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 127' ' ' ALA . . . . . 0.512 ' O ' ' HB3' ' B' ' 131' ' ' ASN . . . -83.13 -3.27 57.16 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.31 -0.859 . . . . 65.3 111.611 -177.369 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 128' ' ' THR . . . . . 0.609 HG22 ' HA ' ' B' ' 125' ' ' SER . 1.4 t -114.4 -17.49 11.76 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 120.883 -0.327 . . . . 55.14 110.37 -173.523 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 129' ' ' ARG . . . . . 0.422 ' HG2' ' O ' ' B' ' 125' ' ' SER . 15.6 ptm180 -109.85 -41.72 4.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.76 0.314 . . . . 75.21 110.329 -177.392 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 130' ' ' ASN . . . . . . . . . . . . . 43.5 m-80 -78.48 -46.79 18.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.186 0.517 . . . . 74.14 109.981 176.457 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 131' ' ' ASN . . . . . 0.512 ' HB3' ' O ' ' B' ' 127' ' ' ALA . 0.2 OUTLIER -82.83 -43.94 16.07 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 115.546 -0.752 . . . . 75.43 110.61 -176.656 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 132' ' ' VAL . . . . . 0.466 HG12 ' N ' ' B' ' 133' ' ' ALA . 21.3 t -112.08 167.93 5.27 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.459 0 CA-C-N 116.307 -0.406 . . . . 52.13 110.112 -174.186 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 133' ' ' ALA . . . . . 0.466 ' N ' HG12 ' B' ' 132' ' ' VAL . . . -98.44 88.98 4.27 Favored 'General case' 0 C--O 1.243 0.715 0 CA-C-O 121.533 0.682 . . . . 72.23 112.043 -176.805 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 134' ' ' VAL . . . . . 0.627 HG22 HG13 ' B' ' 97' ' ' VAL . 86.8 t -103.03 126.85 57.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.062 -0.972 . . . . 61.1 110.613 173.252 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 26.3 ttp-105 -101.39 110.75 22.81 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.804 -0.635 . . . . 74.32 109.561 176.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 136' ' ' LEU . . . . . 0.449 HD11 ' CG ' ' B' ' 119' ' ' HIS . 64.0 mt -80.47 117.36 21.13 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 121.291 0.567 . . . . 72.41 110.631 179.816 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 137' ' ' VAL . . . . . 0.536 ' O ' ' HA ' ' B' ' 100' ' ' ARG . 0.1 OUTLIER -121.88 115.52 46.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.296 -0.866 . . . . 72.22 109.592 179.863 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 138' ' ' VAL . . . . . . . . . . . . . 11.4 m -97.79 138.83 21.46 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-N 115.72 -0.673 . . . . 70.52 109.857 -178.054 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 139' ' ' ALA . . . . . 0.542 ' HB3' ' HA ' ' B' ' 102' ' ' ALA . . . . . . . . 0 C--N 1.309 -1.158 0 CA-C-O 118.325 -0.845 . . . . 71.35 110.256 -173.018 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.5 ptt? . . . . . 0 N--CA 1.484 1.246 0 CA-C-O 120.478 0.18 . . . . 71.43 110.681 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 50.9 t30 -77.68 71.39 4.16 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 121.249 0.547 . . . . 75.52 110.744 -179.014 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.534 HG21 ' HB2' ' A' ' 6' ' ' LYS . 34.2 mm -59.54 119.8 4.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 115.762 -0.654 . . . . 51.02 111.218 174.533 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.614 ' HG ' ' HD3' ' B' ' 87' ' ' PRO . 93.0 mt -78.79 -45.22 21.48 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.329 -0.851 . . . . 74.21 110.239 177.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 27.7 t80 -137.37 133.82 35.26 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.139 -0.482 . . . . 54.43 109.83 -179.561 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.534 ' HB2' HG21 ' A' ' 3' ' ' ILE . 36.4 ttmt -136.91 144.63 43.57 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.15 -0.477 . . . . 62.42 110.724 178.767 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 9.3 t -145.35 145.14 31.08 Favored 'General case' 0 C--O 1.237 0.422 0 N-CA-C 109.209 -0.663 . . . . 73.02 109.209 177.434 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -120.58 136.27 54.85 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-O 121.122 0.487 . . . . 64.34 111.178 -174.585 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -127.93 129.41 46.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.982 -0.554 . . . . 65.14 110.394 179.329 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 7.9 t -96.1 121.38 37.81 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.169 0.509 . . . . 73.43 109.643 179.36 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 33.0 p -112.3 115.2 28.38 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.02 -0.536 . . . . 71.32 110.728 -179.317 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.9 m -88.29 166.95 13.95 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.622 -0.511 . . . . 72.12 109.622 176.713 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -80.62 8.34 55.22 Favored Glycine 0 CA--C 1.522 0.522 0 C-N-CA 120.807 -0.711 . . . . 62.44 113.171 179.058 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 33.23 -133.32 0.27 Allowed Glycine 0 C--N 1.344 1.006 0 O-C-N 123.576 0.221 . . . . 62.02 112.717 -174.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 29.2 ttm180 -88.93 -34.49 16.9 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 108.098 -1.075 . . . . 73.04 108.098 162.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.465 ' HB3' ' HA ' ' A' ' 31' ' ' SER . 40.6 t0 -125.9 -42.44 1.9 Allowed 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 115.474 -0.784 . . . . 74.22 109.726 170.641 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -164.3 162.62 35.48 Favored Glycine 0 C--N 1.344 1.009 0 C-N-CA 120.129 -1.034 . . . . 73.12 112.338 169.012 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.693 ' HA ' ' HA ' ' A' ' 29' ' ' LYS . 57.5 ttp180 -149.38 144.51 26.44 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.482 -0.562 . . . . 73.24 109.482 175.771 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.696 ' HB1' ' HB1' ' B' ' 52' ' ' ALA . . . -134.66 123.57 23.95 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 110.167 -0.308 . . . . 71.12 110.167 179.337 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 47.1 m -135.93 112.46 9.99 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.177 -0.465 . . . . 63.53 110.163 -178.559 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.561 ' HB3' ' N ' ' A' ' 26' ' ' LEU . 23.3 t -70.44 107.24 3.73 Favored 'General case' 0 C--O 1.242 0.663 0 N-CA-C 106.793 -1.558 . . . . 62.3 106.793 176.008 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.407 ' C ' ' H ' ' A' ' 24' ' ' GLN . 80.0 t60 -55.95 -29.08 59.62 Favored 'General case' 0 N--CA 1.472 0.659 0 O-C-N 125.756 1.91 . . . . 71.44 112.772 -164.442 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -80.39 17.82 1.01 Allowed 'General case' 0 C--N 1.317 -0.837 0 CA-C-O 121.375 0.607 . . . . 73.43 110.221 178.889 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.407 ' H ' ' C ' ' A' ' 22' ' ' HIS . 25.0 mm-40 72.08 23.75 3.36 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 114.495 -1.229 . . . . 72.53 110.488 172.653 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.8 mtmp? -86.96 -16.59 35.38 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-N 115.662 -0.699 . . . . 73.44 111.499 175.512 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.561 ' N ' ' HB3' ' A' ' 21' ' ' SER . 42.8 tp -157.44 146.61 19.93 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 119.906 -0.718 . . . . 74.42 111.556 177.617 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -156.54 98.17 1.79 Allowed 'General case' 0 N--CA 1.465 0.298 0 O-C-N 123.61 0.569 . . . . 74.13 110.627 173.271 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.456 ' O ' ' HG3' ' A' ' 18' ' ' ARG . 2.7 m -147.52 174.6 1.78 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.265 0 CA-C-O 121.027 0.441 . . . . 62.12 110.801 174.684 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.693 ' HA ' ' HA ' ' A' ' 18' ' ' ARG . 0.6 OUTLIER -137.9 144.72 41.45 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.76 -0.655 . . . . 62.42 110.077 -179.39 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.566 ' N ' HD13 ' A' ' 30' ' ' LEU . 0.0 OUTLIER -131.4 173.7 10.82 Favored 'General case' 0 C--O 1.255 1.348 0 CA-C-O 121.646 0.736 . . . . 64.12 112.216 -175.755 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.465 ' HA ' ' HB3' ' A' ' 16' ' ' ASP . 35.7 t -162.96 138.14 6.69 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 114.296 -1.32 . . . . 75.34 109.706 -177.716 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.58 149.28 95.72 Favored Pre-proline 0 C--N 1.327 -0.41 0 CA-C-N 116.085 -0.507 . . . . 52.21 110.405 177.12 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.598 ' HD3' ' HB2' ' A' ' 45' ' ' ASN . 21.1 Cg_endo -60.89 116.3 3.27 Favored 'Trans proline' 0 C--N 1.348 0.547 0 C-N-CA 122.298 1.998 . . . . 73.33 111.61 -176.337 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.444 ' HG2' ' N ' ' A' ' 40' ' ' GLY . 0.0 OUTLIER -58.09 -20.65 41.39 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 116.43 -0.35 . . . . 50.12 110.333 -179.669 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 26.3 mm-40 -46.42 -47.68 18.95 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.651 -0.704 . . . . 75.14 110.847 174.728 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 7.7 mp -103.88 24.43 11.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.503 -0.771 . . . . 63.44 110.545 -177.063 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 79.18 32.0 40.62 Favored Glycine 0 C--N 1.333 0.382 0 CA-C-N 115.984 -0.553 . . . . 72.22 112.924 178.173 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -53.73 -70.59 0.89 Allowed Glycine 0 CA--C 1.523 0.554 0 C-N-CA 121.53 -0.366 . . . . 73.44 113.542 -179.612 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.52 ' HB2' ' HE3' ' B' ' 63' ' ' LYS . . . -167.69 -61.1 0.03 OUTLIER 'General case' 0 C--O 1.232 0.158 0 CA-C-O 120.876 0.369 . . . . 63.22 111.207 178.543 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.444 ' N ' ' HG2' ' A' ' 34' ' ' ARG . . . 126.32 57.69 0.15 Allowed Glycine 0 N--CA 1.458 0.11 0 C-N-CA 121.046 -0.597 . . . . 45.53 112.462 -175.097 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -149.75 140.37 22.56 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 110.107 -0.331 . . . . 44.21 110.107 177.375 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -73.23 88.18 1.49 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.761 0.791 . . . . 71.23 109.688 176.546 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -139.56 -167.81 11.09 Favored Glycine 0 C--N 1.315 -0.631 0 CA-C-N 115.5 -0.773 . . . . 55.55 111.928 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.558 ' O ' ' HB2' ' A' ' 30' ' ' LEU . 53.6 m -92.83 135.63 33.96 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.61 -0.515 . . . . 74.01 109.61 179.405 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.598 ' HB2' ' HD3' ' A' ' 33' ' ' PRO . 7.4 p-10 -79.02 129.25 73.68 Favored Pre-proline 0 C--O 1.237 0.419 0 N-CA-C 109.215 -0.661 . . . . 72.33 109.215 177.181 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 45' ' ' ASN . 77.2 Cg_exo -49.44 -36.58 39.51 Favored 'Trans proline' 0 C--N 1.349 0.591 0 C-N-CA 123.214 2.609 . . . . 63.04 112.913 -174.324 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.53 ' CD ' ' H ' ' A' ' 47' ' ' GLU . 4.6 mp0 -56.84 -48.62 77.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.735 -0.666 . . . . 62.13 109.919 -179.736 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.514 ' OE1' ' HB2' ' B' ' 21' ' ' SER . 1.0 OUTLIER -67.96 -41.46 82.41 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.858 -0.61 . . . . 72.35 110.194 -178.956 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -54.88 -48.85 72.44 Favored 'General case' 0 C--O 1.238 0.479 0 CA-C-N 115.973 -0.558 . . . . 71.11 109.533 -178.356 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.48 ' CG ' ' HE1' ' B' ' 124' ' ' TYR . 73.1 t80 -67.87 -43.54 79.18 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.638 -0.71 . . . . 64.45 111.022 179.31 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.418 ' O ' ' HB2' ' A' ' 55' ' ' SER . . . -51.17 -53.6 33.16 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.813 0.339 . . . . 52.03 111.023 176.108 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.518 ' HB1' ' HB1' ' B' ' 19' ' ' ALA . . . -61.66 -50.11 73.81 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-N 115.908 -0.587 . . . . 51.43 111.132 -178.712 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.485 ' O ' ' SG ' ' A' ' 57' ' ' CYS . . . -58.44 -56.19 26.61 Favored Glycine 0 C--O 1.226 -0.364 0 CA-C-N 115.656 -0.702 . . . . 45.35 111.973 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 7.0 t80 -60.91 -37.04 80.88 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 122.988 0.515 . . . . 71.4 110.898 -178.722 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.418 ' HB2' ' O ' ' A' ' 51' ' ' ALA . 8.6 t -60.74 -53.58 55.63 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.223 0.535 . . . . 50.31 109.726 179.081 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.543 ' HB1' HD21 ' B' ' 30' ' ' LEU . . . -67.35 -33.7 75.77 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.772 -0.649 . . . . 72.41 110.738 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.639 ' SG ' ' HB3' ' B' ' 46' ' ' PRO . 80.5 m -66.57 -36.42 82.61 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.998 -0.546 . . . . 74.4 110.024 177.713 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 36.1 t80 -69.7 -37.71 76.68 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.097 -0.705 . . . . 64.12 109.097 -179.589 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.468 ' O ' ' HG3' ' A' ' 63' ' ' LYS . 49.6 tp -65.31 -45.85 82.7 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 115.589 -0.732 . . . . 74.12 110.29 176.346 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 32.8 t -62.06 -48.6 79.53 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 116.045 -0.525 . . . . 74.4 110.234 178.779 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.452 ' O ' HG23 ' A' ' 65' ' ' VAL . . . -59.57 -40.62 87.93 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.047 -0.524 . . . . 64.15 110.229 177.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . 0.439 ' HG3' ' CD1' ' A' ' 73' ' ' LEU . 5.5 tpt -58.76 -35.61 73.05 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.962 -0.563 . . . . 61.32 110.182 177.658 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.529 ' NZ ' ' HA ' ' B' ' 16' ' ' ASP . 97.2 mttt -67.57 -51.95 44.47 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-O 120.903 0.382 . . . . 62.32 110.249 176.345 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.408 ' CZ ' ' HE1' ' B' ' 93' ' ' PHE . 58.9 t80 -59.87 -35.03 73.95 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 115.986 -0.552 . . . . 70.35 110.054 -178.6 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.452 HG23 ' O ' ' A' ' 61' ' ' ALA . 54.6 t -64.22 -44.13 97.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.947 -0.57 . . . . 51.41 109.767 173.46 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.59 -30.79 68.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.099 0.476 . . . . 55.45 110.087 175.159 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -70.12 -34.28 70.03 Favored Glycine 0 C--N 1.33 0.228 0 CA-C-N 115.292 -0.867 . . . . 65.01 112.108 -177.549 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -88.0 -20.35 25.94 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.642 0.734 . . . . 73.33 109.046 178.337 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.516 ' HB3' ' HG2' ' A' ' 71' ' ' GLN . 8.6 m-80 -86.95 -3.36 59.08 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 114.792 -1.095 . . . . 73.35 110.915 176.042 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 9.8 mptt 55.06 30.68 14.7 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-O 121.467 0.651 . . . . 70.5 110.903 177.711 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.59 HE22 HD21 ' A' ' 73' ' ' LEU . 2.0 pt20 -119.22 158.15 26.59 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 114.945 -1.025 . . . . 65.11 109.287 176.579 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 17.1 p -118.45 137.26 53.29 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.945 0.402 . . . . 71.13 111.297 -177.348 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.59 HD21 HE22 ' A' ' 71' ' ' GLN . 79.8 mt -109.39 138.05 20.43 Favored Pre-proline 0 CA--C 1.535 0.378 0 CA-C-N 115.939 -0.573 . . . . 63.13 109.946 179.687 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.51 ' HD2' HD11 ' A' ' 103' ' ' LEU . 35.4 Cg_exo -59.57 141.77 97.78 Favored 'Trans proline' 0 C--N 1.351 0.693 0 C-N-CA 123.164 2.576 . . . . 75.32 113.099 -179.331 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -77.25 -9.89 59.08 Favored 'General case' 0 N--CA 1.467 0.386 0 N-CA-C 112.166 0.432 . . . . 74.43 112.166 -179.3 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -89.93 17.47 6.74 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.653 0.74 . . . . 72.44 110.903 -177.625 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.516 ' HB ' HD12 ' A' ' 103' ' ' LEU . 10.0 t -86.33 168.48 13.83 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.552 -0.749 . . . . 73.42 111.372 -178.097 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.507 HG22 ' HA ' ' B' ' 12' ' ' THR . 1.0 OUTLIER -153.75 149.36 27.38 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 115.766 -0.652 . . . . 65.01 110.742 -179.164 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 74.2 t -131.92 121.99 48.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 N-CA-C 109.124 -0.695 . . . . 73.54 109.124 173.47 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.546 ' HA ' ' HA ' ' B' ' 10' ' ' THR . 16.5 m -106.18 112.54 25.62 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.602 -0.272 . . . . 61.0 110.756 -179.814 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -93.19 105.87 17.91 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.575 -0.528 . . . . 75.0 109.575 176.424 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.47 ' HA ' ' HA ' ' B' ' 8' ' ' ALA . 31.2 tt0 -104.67 107.58 18.6 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 108.677 -0.86 . . . . 74.0 108.677 -179.745 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 30.7 m -112.14 144.94 18.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 121.118 0.485 . . . . 74.25 111.811 -171.181 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.403 ' HA2' ' HA ' ' B' ' 6' ' ' LYS . . . -136.43 160.51 24.77 Favored Glycine 0 N--CA 1.438 -1.179 0 CA-C-N 115.392 -0.822 . . . . 64.22 111.712 177.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -129.81 132.55 65.77 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.777 0 N-CA-C 108.563 -0.903 . . . . 71.32 108.563 178.23 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . 0.432 ' HA2' ' HG ' ' B' ' 4' ' ' LEU . . . -149.75 169.81 29.9 Favored Glycine 0 C--N 1.329 0.15 0 O-C-N 123.689 0.618 . . . . 64.2 111.575 -176.182 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.678 ' HD3' ' HG ' ' B' ' 4' ' ' LEU . 90.9 Cg_endo -81.97 140.95 11.62 Favored 'Trans proline' 0 N--CA 1.458 -0.591 0 C-N-CA 122.297 1.998 . . . . 75.13 112.816 -177.266 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -79.07 159.39 27.56 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.422 -0.808 . . . . 63.43 109.279 175.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -57.24 -26.0 60.04 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-O 120.753 0.311 . . . . 74.31 111.486 -178.585 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -73.37 -24.41 60.32 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-O 121.186 0.517 . . . . 62.35 111.092 179.535 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.3 25.15 7.16 Favored Glycine 0 N--CA 1.453 -0.221 0 CA-C-N 115.813 -0.631 . . . . 52.42 112.029 -176.098 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . 0.472 ' O ' ' HA ' ' A' ' 87' ' ' PRO . . . -108.01 -160.65 20.67 Favored Glycine 0 C--N 1.332 0.322 0 N-CA-C 110.657 -0.977 . . . . 74.12 110.657 173.673 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 59.2 m-85 -108.83 152.28 25.1 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 117.413 0.606 . . . . 72.25 110.622 177.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -147.83 145.5 28.75 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 115.865 -0.607 . . . . 73.43 110.205 -177.792 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -104.91 149.28 25.84 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 121.175 0.512 . . . . 75.45 111.456 -176.333 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -135.26 125.58 26.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 114.961 -1.018 . . . . 62.1 109.31 -177.319 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.527 ' HB ' HG22 ' A' ' 134' ' ' VAL . 53.9 t -125.88 111.01 25.43 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.29 0 CA-C-O 120.742 0.306 . . . . 41.42 111.366 -177.258 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -93.54 108.64 20.32 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.676 -0.491 . . . . 51.52 109.676 176.471 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 71.3 mt -94.32 107.14 19.11 Favored 'General case' 0 C--O 1.237 0.423 0 CA-C-O 121.313 0.577 . . . . 73.33 110.396 179.71 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.515 ' HA ' HG13 ' A' ' 137' ' ' VAL . 34.9 ttm180 -99.64 118.44 36.18 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.021 -0.991 . . . . 73.43 110.231 -177.183 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 45.5 t -112.82 104.92 17.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 120.479 0.181 . . . . 72.23 111.233 -173.062 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -102.94 101.37 11.39 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.965 -0.383 . . . . 73.1 109.965 176.456 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.817 HD23 HD22 ' A' ' 106' ' ' LEU . 28.9 tp -114.18 120.97 37.43 Favored Pre-proline 0 C--N 1.33 -0.276 0 N-CA-C 109.302 -0.629 . . . . 73.31 109.302 179.274 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . 0.553 ' HD2' HD12 ' A' ' 103' ' ' LEU . 45.9 Cg_endo -72.23 148.99 50.72 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.522 2.148 . . . . 73.52 112.313 -177.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 74.88 15.28 80.99 Favored Glycine 0 C--N 1.332 0.327 0 CA-C-N 115.862 -0.608 . . . . 54.45 112.269 -178.695 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.817 HD22 HD23 ' A' ' 103' ' ' LEU . 44.4 tp -129.97 143.27 50.71 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 122.618 0.367 . . . . 65.03 111.356 -174.482 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -80.8 166.7 20.72 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 116.205 -0.452 . . . . 72.42 110.802 178.324 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -68.63 -44.11 74.89 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.606 -0.724 . . . . 74.35 110.37 171.182 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -64.42 -47.79 77.81 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 115.762 -0.654 . . . . 64.13 110.791 -176.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.574 ' O ' HG22 ' A' ' 113' ' ' THR . . . -69.15 -41.2 77.6 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.847 -0.615 . . . . 73.25 109.919 178.786 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . 0.523 ' HA ' HD21 ' A' ' 106' ' ' LEU . . . -54.53 -43.84 72.27 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.134 -0.484 . . . . 54.13 111.226 177.77 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.458 ' HA ' HG11 ' A' ' 138' ' ' VAL . 44.8 mttp -53.7 -43.52 69.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.456 -0.338 . . . . 74.23 111.334 177.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . 0.574 HG22 ' O ' ' A' ' 110' ' ' ALA . 1.0 OUTLIER -74.54 -35.24 63.12 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 120.809 -0.356 . . . . 74.22 110.634 -177.231 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.413 ' HG ' ' O ' ' A' ' 110' ' ' ALA . 53.4 mt -69.35 -47.01 65.62 Favored 'General case' 0 C--O 1.231 0.119 0 CA-C-O 120.776 0.322 . . . . 61.01 110.554 -178.625 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 66.4 t -65.4 -35.25 74.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.112 -0.494 . . . . 72.22 110.016 177.706 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -59.32 -57.29 13.67 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 115.623 -0.717 . . . . 63.5 110.531 178.511 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 11.3 ptm180 -66.03 -39.47 90.2 Favored 'General case' 0 CA--C 1.528 0.115 0 CA-C-N 115.987 -0.551 . . . . 65.24 110.909 -177.263 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -60.17 -49.79 76.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.239 0.542 . . . . 63.41 110.554 178.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 83.1 t60 -71.68 -9.73 58.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.584 -0.735 . . . . 74.13 110.659 -179.738 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 4.9 t-80 -91.45 -39.67 11.84 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 115.686 -0.688 . . . . 75.14 111.04 177.436 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 31.1 m -79.4 -44.04 23.74 Favored 'Isoleucine or valine' 0 C--O 1.237 0.396 0 N-CA-C 111.974 0.361 . . . . 74.54 111.974 -173.512 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 44.9 t -150.15 84.94 5.61 Favored Pre-proline 0 CA--C 1.533 0.326 0 CA-C-O 120.826 0.346 . . . . 72.12 111.879 -175.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 95.6 Cg_endo -87.91 -178.74 2.31 Favored 'Trans proline' 0 CA--C 1.535 0.57 0 C-N-CA 122.818 2.346 . . . . 74.45 110.883 169.006 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -76.92 -8.71 57.87 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-O 121.179 0.514 . . . . 65.44 110.231 -179.697 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . 0.635 ' HB3' ' HB ' ' A' ' 128' ' ' THR . 29.2 t 179.44 153.91 0.46 Allowed 'General case' 0 C--O 1.234 0.253 0 N-CA-C 108.495 -0.928 . . . . 62.44 108.495 179.466 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' ASN . . . . . 0.407 ' OD1' ' N ' ' A' ' 127' ' ' ALA . 36.6 p30 -69.22 -31.83 70.69 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.602 0.715 . . . . 73.42 109.214 177.04 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . 0.727 ' HB3' ' HB2' ' B' ' 127' ' ' ALA . . . -88.07 4.77 44.05 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.173 -0.922 . . . . 54.1 112.069 -178.461 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . 0.635 ' HB ' ' HB3' ' A' ' 125' ' ' SER . 2.8 t -87.19 -3.75 59.07 Favored 'General case' 0 CA--C 1.513 -0.446 0 N-CA-C 107.752 -1.203 . . . . 73.21 107.752 -176.308 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 21.0 ptt180 -127.3 -42.99 1.65 Allowed 'General case' 0 N--CA 1.438 -1.036 0 CA-C-N 113.952 -1.476 . . . . 72.04 110.087 178.77 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 82.3 m-20 -78.6 -29.31 45.99 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 115.504 -0.771 . . . . 71.52 111.897 -178.062 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . 0.489 ' HB3' ' O ' ' A' ' 127' ' ' ALA . 2.5 t-20 -101.32 -40.47 7.1 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 121.266 0.555 . . . . 72.12 109.871 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 39.4 t -97.26 125.85 50.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.3 -0.864 . . . . 70.22 109.833 -178.444 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -69.16 104.01 2.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.049 0.452 . . . . 45.42 110.748 -178.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . 0.527 HG22 ' HB ' ' A' ' 97' ' ' VAL . 74.2 t -114.16 125.16 71.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.813 -0.631 . . . . 75.02 110.858 -179.616 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 12.9 mmt180 -92.54 117.89 30.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.668 -0.696 . . . . 72.41 109.201 178.741 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 45.8 mt -88.31 113.0 23.47 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.204 0.526 . . . . 50.04 110.279 176.662 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . 0.515 HG13 ' HA ' ' A' ' 100' ' ' ARG . 0.2 OUTLIER -126.66 113.53 33.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 115.33 -0.85 . . . . 74.42 109.978 -179.227 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . 0.458 HG11 ' HA ' ' A' ' 112' ' ' LYS . 4.4 m -98.38 138.87 21.75 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-N 115.756 -0.656 . . . . 53.11 110.337 -178.3 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.313 -0.994 0 CA-C-N 115.118 -0.946 . . . . 73.13 110.83 -175.633 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.434 ' HE3' HD13 ' B' ' 3' ' ' ILE . 17.2 ptt? . . . . . 0 C--O 1.234 0.25 0 CA-C-O 120.858 0.361 . . . . 72.42 110.9 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 2' ' ' ASN . . . . . 0.584 ' O ' ' HD2' ' A' ' 87' ' ' PRO . 38.9 t30 -75.29 80.03 2.39 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-O 121.12 0.486 . . . . 61.35 110.667 176.557 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . 0.541 HG21 ' HB2' ' B' ' 6' ' ' LYS . 29.2 mm -73.95 136.55 25.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 115.981 -0.554 . . . . 72.42 111.26 174.872 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.678 ' HG ' ' HD3' ' A' ' 87' ' ' PRO . 92.4 mt -88.76 -46.13 9.23 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.762 -0.654 . . . . 75.25 110.1 174.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 5' ' ' TYR . . . . . . . . . . . . . 38.2 t80 -136.42 126.41 26.0 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 116.116 -0.493 . . . . 75.45 110.546 -177.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . 0.541 ' HB2' HG21 ' B' ' 3' ' ' ILE . 30.5 ttmt -136.19 141.37 44.01 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 121.13 0.49 . . . . 65.01 111.211 178.309 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 6.2 t -138.9 156.71 47.06 Favored 'General case' 0 C--O 1.238 0.448 0 CA-C-N 115.421 -0.809 . . . . 72.52 109.45 178.41 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . 0.47 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . . . -118.29 134.7 54.81 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-O 121.06 0.457 . . . . 64.22 111.371 -177.329 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . 0.458 ' HA ' ' HA ' ' B' ' 21' ' ' SER . . . -129.14 121.29 27.44 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.924 -0.58 . . . . 31.45 109.805 176.597 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . 0.546 ' HA ' ' HA ' ' A' ' 80' ' ' THR . 12.6 t -99.98 146.4 26.75 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.854 0.359 . . . . 64.31 110.032 -178.195 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 11' ' ' SER . . . . . 0.615 ' HA ' ' O ' ' B' ' 18' ' ' ARG . 77.2 p -128.71 114.36 16.52 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.203 -0.453 . . . . 74.14 110.188 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . 0.507 ' HA ' HG22 ' A' ' 78' ' ' THR . 5.3 m -91.86 157.95 16.58 Favored 'General case' 0 C--O 1.238 0.49 0 CA-C-N 115.938 -0.574 . . . . 53.42 110.49 -179.43 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -82.07 73.55 2.62 Favored Glycine 0 N--CA 1.443 -0.891 0 C-N-CA 120.79 -0.719 . . . . 71.12 112.653 177.105 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -67.61 -134.28 0.04 OUTLIER Glycine 0 C--N 1.334 0.449 0 N-CA-C 110.992 -0.843 . . . . 73.4 110.992 173.093 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . 0.401 ' HD2' ' HA ' ' B' ' 15' ' ' ARG . 12.3 mmm180 -60.36 -55.37 34.44 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 117.963 0.882 . . . . 65.14 109.245 173.787 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 16' ' ' ASP . . . . . 0.541 ' HB3' ' HA ' ' B' ' 31' ' ' SER . 37.6 t0 -126.63 -43.69 1.72 Allowed 'General case' 0 CA--C 1.518 -0.26 0 C-N-CA 120.77 -0.372 . . . . 65.33 111.176 167.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -151.79 140.81 8.04 Favored Glycine 0 N--CA 1.446 -0.651 0 C-N-CA 119.473 -1.346 . . . . 74.22 112.95 176.083 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 18' ' ' ARG . . . . . 0.615 ' O ' ' HA ' ' B' ' 11' ' ' SER . 11.7 tpt180 -123.46 105.21 9.6 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 108.605 -0.887 . . . . 74.4 108.605 174.677 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 19' ' ' ALA . . . . . 0.518 ' HB1' ' HB1' ' A' ' 52' ' ' ALA . . . -98.46 123.87 42.84 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 110.158 -0.312 . . . . 64.21 110.158 -175.262 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 32.0 m -141.13 115.29 9.28 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.322 -0.399 . . . . 75.11 110.669 -175.378 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 21' ' ' SER . . . . . 0.588 ' HB3' ' N ' ' B' ' 26' ' ' LEU . 31.4 t -71.32 110.69 6.1 Favored 'General case' 0 C--O 1.249 1.068 0 N-CA-C 108.063 -1.088 . . . . 74.21 108.063 176.78 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 22' ' ' HIS . . . . . 0.442 ' C ' ' H ' ' B' ' 24' ' ' GLN . 45.2 t60 -54.17 -20.74 7.29 Favored 'General case' 0 C--N 1.35 0.625 0 O-C-N 126.646 2.466 . . . . 73.12 112.247 -172.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -80.13 17.64 0.98 Allowed 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.509 -0.552 . . . . 63.54 109.509 176.731 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . 0.442 ' H ' ' C ' ' B' ' 22' ' ' HIS . 28.4 mm-40 63.13 21.92 13.12 Favored 'General case' 0 CA--C 1.519 -0.227 0 CA-C-N 115.291 -0.868 . . . . 71.43 109.935 178.87 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 32.5 mmtp -90.11 -26.8 20.03 Favored 'General case' 0 N--CA 1.45 -0.475 0 CA-C-N 115.061 -0.972 . . . . 41.25 111.074 -178.265 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . 0.588 ' N ' ' HB3' ' B' ' 21' ' ' SER . 55.2 tp -142.09 145.02 33.83 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 119.403 -0.919 . . . . 71.52 111.918 -176.318 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -156.48 100.32 1.95 Allowed 'General case' 0 CA--C 1.535 0.39 0 O-C-N 124.279 0.987 . . . . 53.33 110.098 177.481 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 3.2 m -148.66 178.16 0.81 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.503 0 CA-C-N 115.478 -0.783 . . . . 74.12 111.23 177.071 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 18.0 ttpt -139.03 141.48 38.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.552 -0.749 . . . . 64.31 110.126 -179.114 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . 0.562 ' N ' HD13 ' B' ' 30' ' ' LEU . 0.0 OUTLIER -132.67 173.82 10.95 Favored 'General case' 0 C--O 1.251 1.144 0 CA-C-O 120.65 0.262 . . . . 72.32 111.125 177.519 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . 0.541 ' HA ' ' HB3' ' B' ' 16' ' ' ASP . 56.7 p -167.77 135.33 2.29 Favored 'General case' 0 N--CA 1.456 -0.17 0 CA-C-N 115.77 -0.65 . . . . 62.35 111.959 -178.886 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -75.21 131.35 78.41 Favored Pre-proline 0 C--O 1.241 0.641 0 CA-C-N 115.95 -0.568 . . . . 75.13 110.324 174.333 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 33' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -54.66 134.93 64.97 Favored 'Trans proline' 0 C--N 1.349 0.59 0 C-N-CA 123.015 2.477 . . . . 71.3 112.761 -179.127 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.99 -15.96 58.04 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 116.092 -0.504 . . . . 71.43 111.001 178.017 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -49.82 -33.33 16.41 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 115.895 -0.593 . . . . 72.42 111.504 179.428 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 16.9 mt -106.45 11.67 30.52 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.6 -0.727 . . . . 63.52 110.913 -173.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 85.05 31.65 22.64 Favored Glycine 0 C--N 1.331 0.301 0 CA-C-N 115.828 -0.624 . . . . 51.22 111.762 -175.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -87.91 -133.06 4.06 Favored Glycine 0 C--N 1.334 0.471 0 C-N-CA 121.327 -0.463 . . . . 64.12 112.134 -177.454 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -102.61 -42.45 5.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.741 0.305 . . . . 71.25 111.111 -176.549 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 78.24 95.09 0.25 Allowed Glycine 0 N--CA 1.446 -0.683 0 C-N-CA 120.73 -0.748 . . . . 53.13 111.493 -179.278 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . 0.424 ' HB3' ' CB ' ' B' ' 31' ' ' SER . . . -159.17 -170.35 2.96 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.893 0.378 . . . . 45.11 111.943 -177.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -91.75 5.97 47.79 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 115.295 -0.866 . . . . 74.14 111.761 -174.272 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -80.92 -168.46 39.59 Favored Glycine 0 CA--C 1.517 0.203 0 C-N-CA 120.894 -0.669 . . . . 72.12 113.057 -173.069 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 44' ' ' THR . . . . . 0.551 ' H ' ' HA ' ' B' ' 30' ' ' LEU . 6.7 t -108.28 166.88 10.42 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.331 -0.618 . . . . 35.03 109.331 178.725 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 45' ' ' ASN . . . . . 0.699 ' HB2' ' HB3' ' B' ' 48' ' ' GLN . 2.7 m-20 -78.08 138.84 60.74 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 120.446 0.165 . . . . 71.14 111.219 -175.295 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 46' ' ' PRO . . . . . 0.639 ' HB3' ' SG ' ' A' ' 57' ' ' CYS . 26.0 Cg_exo -63.67 -52.31 1.92 Allowed 'Trans proline' 0 C--O 1.241 0.629 0 C-N-CA 123.079 2.519 . . . . 54.41 112.613 179.146 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 47' ' ' GLU . . . . . 0.427 ' OE2' ' HB3' ' B' ' 45' ' ' ASN . 3.3 pm0 -66.8 -33.46 75.67 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 121.085 0.469 . . . . 73.03 109.869 -178.054 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . 0.699 ' HB3' ' HB2' ' B' ' 45' ' ' ASN . 0.7 OUTLIER -64.78 -35.83 82.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.61 -0.723 . . . . 65.22 110.315 173.555 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -65.08 -51.09 63.43 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-N 116.034 -0.53 . . . . 73.15 109.664 179.278 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 75.1 t80 -59.92 -46.72 88.47 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 116.51 -0.313 . . . . 74.53 110.333 177.234 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . 0.544 ' HB1' ' HB1' ' B' ' 81' ' ' ALA . . . -56.45 -53.45 57.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.232 -0.44 . . . . 63.22 111.393 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 52' ' ' ALA . . . . . 0.696 ' HB1' ' HB1' ' A' ' 19' ' ' ALA . . . -61.65 -48.46 80.74 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 116.313 -0.403 . . . . 74.31 110.737 -177.893 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -61.42 -44.1 98.47 Favored Glycine 0 C--N 1.331 0.273 0 CA-C-N 115.877 -0.601 . . . . 73.22 112.198 -179.638 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -68.59 -36.2 78.39 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 122.496 0.318 . . . . 73.14 110.741 -179.335 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 55' ' ' SER . . . . . 0.541 ' OG ' ' HB2' ' B' ' 81' ' ' ALA . 66.3 m -66.93 -44.47 80.6 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.757 0.313 . . . . 71.55 110.626 179.768 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 56' ' ' ALA . . . . . 0.473 ' HB1' HD21 ' A' ' 30' ' ' LEU . . . -67.59 -41.77 83.55 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.164 0.507 . . . . 72.32 109.914 175.618 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 57' ' ' CYS . . . . . . . . . . . . . 41.2 t -59.64 -36.17 75.84 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.418 -0.81 . . . . 72.4 110.504 177.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 28.1 t80 -57.03 -34.7 68.47 Favored 'General case' 0 CA--C 1.529 0.148 0 CA-C-N 116.004 -0.544 . . . . 52.32 110.204 -177.654 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -68.06 -47.87 67.16 Favored 'General case' 0 CA--C 1.53 0.176 0 N-CA-C 109.319 -0.623 . . . . 64.41 109.319 177.63 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 15.1 m -56.31 -51.28 68.79 Favored 'General case' 0 C--O 1.243 0.763 0 CA-C-N 116.107 -0.497 . . . . 73.23 110.694 178.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . 0.536 ' HB1' ' SG ' ' B' ' 122' ' ' CYS . . . -58.84 -50.59 73.43 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.441 -0.799 . . . . 44.1 110.39 179.435 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 62' ' ' MET . . . . . 0.412 ' SD ' ' HB1' ' B' ' 118' ' ' ALA . 10.4 mtp -66.67 -23.11 66.1 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.458 -0.337 . . . . 71.0 111.318 179.477 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . 0.529 ' HZ3' ' HB3' ' B' ' 63' ' ' LYS . 6.3 ttpm? -67.57 -47.68 69.08 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 108.878 -0.786 . . . . 72.03 108.878 175.883 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 77.9 t80 -60.51 -48.46 81.65 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 115.454 -0.794 . . . . 73.11 110.101 175.191 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 44.0 t -57.35 -47.9 83.66 Favored 'Isoleucine or valine' 0 C--O 1.233 0.192 0 CA-C-N 115.629 -0.714 . . . . 75.05 111.304 179.461 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -58.15 -33.17 68.9 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.125 -0.489 . . . . 74.13 110.531 179.719 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -70.1 -28.71 71.26 Favored Glycine 0 N--CA 1.449 -0.439 0 CA-C-N 115.506 -0.77 . . . . 75.04 112.157 -176.483 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -98.9 -14.49 19.55 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.068 0.461 . . . . 64.5 110.313 179.203 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 7.4 m-80 -92.08 2.42 56.59 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 115.833 -0.621 . . . . 65.21 111.002 177.324 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 2.5 mptp? 64.15 25.3 13.66 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 115.788 -0.642 . . . . 73.12 111.518 175.753 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -119.87 165.67 14.3 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.743 -0.662 . . . . 74.24 110.273 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 19.4 p -125.24 139.54 53.64 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.385 -0.371 . . . . 74.12 110.582 179.389 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . 0.485 ' HA ' ' HD3' ' B' ' 74' ' ' PRO . 96.6 mt -109.46 139.34 21.03 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.271 -0.422 . . . . 75.15 110.493 179.202 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 74' ' ' PRO . . . . . 0.485 ' HD3' ' HA ' ' B' ' 73' ' ' LEU . 19.5 Cg_exo -67.42 129.67 20.72 Favored 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 122.941 2.427 . . . . 62.01 112.045 179.702 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -77.08 -12.24 59.91 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-O 121.014 0.435 . . . . 71.53 111.061 178.595 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -81.4 2.64 27.61 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-O 121.539 0.685 . . . . 60.22 111.093 -179.75 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 77' ' ' THR . . . . . 0.449 ' HA ' ' HD3' ' B' ' 104' ' ' PRO . 9.7 t -70.86 164.93 24.31 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.777 -0.647 . . . . 73.25 112.054 -175.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 28.2 m -145.65 149.38 34.38 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.49 -0.777 . . . . 71.23 109.746 176.646 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 57.4 t -128.42 151.95 35.9 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 N-CA-C 108.305 -0.998 . . . . 54.24 108.305 177.248 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 26.3 m -136.27 112.03 9.45 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.795 0.331 . . . . 72.42 110.619 176.596 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 81' ' ' ALA . . . . . 0.544 ' HB1' ' HB1' ' B' ' 51' ' ' ALA . . . -93.44 104.79 16.91 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.061 -0.518 . . . . 73.43 110.027 177.334 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -101.66 107.55 18.82 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.248 -0.649 . . . . 71.23 109.248 178.663 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . 0.464 HG12 ' HB ' ' B' ' 97' ' ' VAL . 18.3 m -102.85 136.78 33.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 120.979 0.419 . . . . 71.44 111.039 -176.729 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 84' ' ' GLY . . . . . . . . . . . . . . . -134.52 151.52 20.37 Favored Glycine 0 N--CA 1.44 -1.053 0 N-CA-C 110.894 -0.882 . . . . 52.45 110.894 175.603 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -131.9 129.66 60.92 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.815 0 N-CA-C 108.996 -0.742 . . . . 73.1 108.996 -179.439 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 86' ' ' GLY . . . . . 0.425 ' HA2' ' HG ' ' A' ' 4' ' ' LEU . . . -150.54 169.71 30.43 Favored Glycine 0 C--N 1.329 0.147 0 O-C-N 124.239 0.962 . . . . 52.3 111.152 -178.485 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 87' ' ' PRO . . . . . 0.614 ' HD3' ' HG ' ' A' ' 4' ' ' LEU . 92.5 Cg_endo -81.61 141.74 12.52 Favored 'Trans proline' 0 N--CA 1.458 -0.583 0 C-N-CA 122.388 2.059 . . . . 61.3 112.095 -177.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 88' ' ' ASN . . . . . . . . . . . . . 32.9 p30 -95.24 168.19 10.89 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.883 -0.598 . . . . 72.3 109.889 177.411 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -63.86 -17.43 63.15 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.426 -0.352 . . . . 65.22 111.653 -178.114 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -75.4 -24.48 57.18 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 121.14 0.495 . . . . 74.05 110.485 177.44 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.41 8.3 38.32 Favored Glycine 0 C--O 1.237 0.297 0 CA-C-N 115.935 -0.575 . . . . 72.2 112.506 178.79 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . -105.09 -166.95 24.03 Favored Glycine 0 N--CA 1.451 -0.337 0 N-CA-C 110.904 -0.879 . . . . 70.13 110.904 176.437 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 93' ' ' PHE . . . . . 0.408 ' HE1' ' CZ ' ' A' ' 64' ' ' PHE . 40.9 m-85 -98.04 149.61 22.29 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.027 0.441 . . . . 73.12 110.555 179.31 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -135.84 132.66 36.92 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.538 -0.755 . . . . 62.21 109.651 -178.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -101.9 118.37 36.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.986 -0.552 . . . . 74.21 110.649 -178.517 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 96' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -110.21 110.27 21.05 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.395 -0.82 . . . . 73.53 109.123 176.477 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 97' ' ' VAL . . . . . 0.493 HG13 ' HA ' ' B' ' 134' ' ' VAL . 1.5 p -112.34 110.82 33.62 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-O 121.572 0.701 . . . . 65.34 110.178 179.23 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -93.53 108.0 19.76 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.261 -0.881 . . . . 74.42 109.112 -178.743 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 22.4 tp -98.22 112.46 24.43 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.793 -0.639 . . . . 61.12 110.338 -173.132 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 100' ' ' ARG . . . . . 0.532 ' HA ' HG13 ' B' ' 137' ' ' VAL . 65.7 ttt180 -99.24 121.71 41.42 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.184 -0.462 . . . . 64.11 110.513 -176.741 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 101' ' ' VAL . . . . . . . . . . . . . 91.3 t -105.1 101.74 12.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.824 -0.626 . . . . 60.12 110.715 -177.409 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 102' ' ' ALA . . . . . 0.494 ' HA ' ' HB3' ' B' ' 139' ' ' ALA . . . -96.32 101.16 12.76 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.909 0.385 . . . . 53.32 110.017 177.371 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 103' ' ' LEU . . . . . 0.446 ' HB2' HD23 ' B' ' 106' ' ' LEU . 19.5 mt -111.02 118.75 47.44 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 115.92 -0.582 . . . . 72.24 109.715 179.764 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 104' ' ' PRO . . . . . 0.449 ' HD3' ' HA ' ' B' ' 77' ' ' THR . 57.7 Cg_endo -71.21 146.16 50.68 Favored 'Trans proline' 0 N--CA 1.461 -0.397 0 C-N-CA 122.497 2.132 . . . . 74.24 112.449 -177.496 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 105' ' ' GLY . . . . . . . . . . . . . . . 69.66 15.0 70.58 Favored Glycine 0 CA--C 1.521 0.429 0 CA-C-N 115.045 -0.979 . . . . 72.34 112.667 -179.019 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 106' ' ' LEU . . . . . 0.446 HD23 ' HB2' ' B' ' 103' ' ' LEU . 31.9 tp -123.36 135.82 54.35 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.264 0.554 . . . . 60.53 111.353 -177.599 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -76.44 148.54 37.2 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.092 -0.958 . . . . 63.12 110.643 177.801 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 108' ' ' ALA . . . . . 0.461 ' O ' ' HG3' ' B' ' 112' ' ' LYS . . . -64.46 -40.73 96.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.487 -0.324 . . . . 34.32 110.573 178.524 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -55.64 -50.52 69.97 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 115.933 -0.576 . . . . 64.51 110.808 179.647 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 110' ' ' ALA . . . . . 0.498 ' O ' HG22 ' B' ' 113' ' ' THR . . . -68.81 -41.99 77.89 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-O 121.127 0.489 . . . . 72.03 110.367 178.524 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 111' ' ' ALA . . . . . 0.403 ' O ' HG23 ' B' ' 115' ' ' VAL . . . -55.62 -35.86 66.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.741 -0.663 . . . . 64.14 111.173 -178.612 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 112' ' ' LYS . . . . . 0.461 ' HG3' ' O ' ' B' ' 108' ' ' ALA . 55.9 mtpt -54.07 -43.53 70.37 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 116.331 -0.395 . . . . 74.45 111.438 178.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 113' ' ' THR . . . . . 0.498 HG22 ' O ' ' B' ' 110' ' ' ALA . 1.5 t -81.64 -34.71 30.67 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.872 0.367 . . . . 72.03 110.251 -178.883 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 114' ' ' LEU . . . . . 0.466 ' HG ' ' O ' ' B' ' 110' ' ' ALA . 39.4 mt -63.27 -42.53 99.14 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-N 116.207 -0.451 . . . . 70.23 110.931 -179.57 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 115' ' ' VAL . . . . . 0.495 HG21 HG12 ' B' ' 138' ' ' VAL . 85.4 t -70.08 -32.68 52.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.378 -0.374 . . . . 63.55 110.332 178.445 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -61.06 -61.08 2.83 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 121.144 0.497 . . . . 75.43 110.013 177.417 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 117' ' ' ARG . . . . . 0.463 ' HG2' ' O ' ' B' ' 113' ' ' THR . 7.8 ptm180 -59.41 -43.66 92.96 Favored 'General case' 0 C--O 1.224 -0.253 0 CA-C-N 115.456 -0.793 . . . . 70.2 110.8 -178.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 118' ' ' ALA . . . . . 0.412 ' HB1' ' SD ' ' B' ' 62' ' ' MET . . . -58.8 -54.0 52.04 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-O 120.948 0.404 . . . . 61.11 111.24 -179.87 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 119' ' ' HIS . . . . . 0.518 ' NE2' HG23 ' B' ' 128' ' ' THR . 33.4 t60 -71.46 -0.85 11.37 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 116.016 -0.538 . . . . 74.31 110.895 -177.181 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 24.9 t60 -108.4 -40.01 5.27 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 116.209 -0.45 . . . . 61.52 111.71 178.235 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 35.0 m -80.03 -36.31 16.72 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.313 0 N-CA-C 111.394 0.146 . . . . 63.42 111.394 -174.381 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 122' ' ' CYS . . . . . 0.536 ' SG ' ' HB1' ' B' ' 61' ' ' ALA . 52.4 t -140.51 67.5 30.63 Favored Pre-proline 0 C--O 1.234 0.288 0 CA-C-O 121.003 0.43 . . . . 74.53 111.474 -178.42 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 123' ' ' PRO . . . . . . . . . . . . . 68.7 Cg_endo -91.45 155.24 3.64 Favored 'Trans proline' 0 N--CA 1.452 -0.942 0 C-N-CA 122.786 2.324 . . . . 65.25 110.792 171.246 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 124' ' ' TYR . . . . . 0.48 ' HE1' ' CG ' ' A' ' 50' ' ' PHE . 5.0 t80 -61.47 -29.73 70.15 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-O 121.357 0.598 . . . . 65.35 109.548 178.504 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 125' ' ' SER . . . . . 0.455 ' O ' HG22 ' B' ' 128' ' ' THR . 51.1 m -156.67 140.9 16.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.226 -0.897 . . . . 64.23 108.797 174.445 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 126' ' ' ASN . . . . . 0.488 ' O ' ' HG2' ' B' ' 129' ' ' ARG . 51.4 m-80 -56.51 -31.35 64.0 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-O 121.618 0.723 . . . . 74.24 110.517 177.397 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 127' ' ' ALA . . . . . 0.727 ' HB2' ' HB3' ' A' ' 127' ' ' ALA . . . -64.19 -1.67 1.71 Allowed 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.264 -0.88 . . . . 65.3 112.369 179.712 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 128' ' ' THR . . . . . 0.518 HG23 ' NE2' ' B' ' 119' ' ' HIS . 6.2 t -88.88 4.08 49.07 Favored 'General case' 0 CA--C 1.508 -0.639 0 N-CA-C 108.189 -1.041 . . . . 55.14 108.189 -168.552 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 129' ' ' ARG . . . . . 0.488 ' HG2' ' O ' ' B' ' 126' ' ' ASN . 13.2 ptt180 -128.61 -58.15 1.18 Allowed 'General case' 0 N--CA 1.435 -1.199 0 CA-C-N 115.127 -0.942 . . . . 75.21 111.961 178.109 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 130' ' ' ASN . . . . . 0.752 HD22 ' N ' ' B' ' 131' ' ' ASN . 0.2 OUTLIER -78.75 -33.15 46.75 Favored 'General case' 0 CA--C 1.512 -0.505 0 CA-C-O 122.176 0.989 . . . . 74.14 112.347 -176.342 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 131' ' ' ASN . . . . . 0.752 ' N ' HD22 ' B' ' 130' ' ' ASN . 3.7 t-20 -90.41 -44.16 9.82 Favored 'General case' 0 C--N 1.302 -1.47 0 CA-C-N 113.981 -1.463 . . . . 75.43 111.292 -176.628 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 132' ' ' VAL . . . . . 0.451 HG23 ' O ' ' B' ' 127' ' ' ALA . 48.0 t -108.07 121.08 60.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.886 -0.597 . . . . 52.13 109.494 -174.565 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 133' ' ' ALA . . . . . 0.403 ' HB1' ' NH2' ' B' ' 135' ' ' ARG . . . -69.4 88.71 0.48 Allowed 'General case' 0 C--O 1.237 0.404 0 CA-C-O 121.503 0.668 . . . . 72.23 111.691 -174.501 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 134' ' ' VAL . . . . . 0.493 ' HA ' HG13 ' B' ' 97' ' ' VAL . 21.9 t -104.8 104.07 16.3 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.668 0 CA-C-N 115.028 -0.987 . . . . 61.1 109.82 174.467 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 135' ' ' ARG . . . . . 0.403 ' NH2' ' HB1' ' B' ' 133' ' ' ALA . 6.3 tpp180 -74.17 101.31 3.92 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.702 -0.681 . . . . 74.32 109.248 -178.836 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 72.6 mt -76.62 121.62 23.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.017 0.437 . . . . 72.41 111.23 -177.323 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 137' ' ' VAL . . . . . 0.532 HG13 ' HA ' ' B' ' 100' ' ' ARG . 0.2 OUTLIER -130.94 129.63 63.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.441 -0.799 . . . . 72.22 109.598 179.369 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 138' ' ' VAL . . . . . 0.495 HG12 HG21 ' B' ' 115' ' ' VAL . 4.1 m -103.77 138.39 28.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 121.455 0.645 . . . . 70.52 110.529 -177.088 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 139' ' ' ALA . . . . . 0.494 ' HB3' ' HA ' ' B' ' 102' ' ' ALA . . . . . . . . 0 C--O 1.247 0.946 0 CA-C-N 115.192 -0.913 . . . . 71.35 110.294 -176.107 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.446 ' HE3' HD13 ' A' ' 3' ' ' ILE . 14.6 ptt? . . . . . 0 N--CA 1.484 1.234 0 CA-C-O 120.732 0.301 . . . . 71.43 110.703 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 46.5 t30 -73.5 76.96 1.44 Allowed 'General case' 0 CA--C 1.53 0.201 0 CA-C-O 121.351 0.596 . . . . 75.52 110.694 178.111 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.543 HG21 ' HB2' ' A' ' 6' ' ' LYS . 40.5 mm -73.95 130.61 35.82 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-N 115.769 -0.65 . . . . 51.02 112.154 177.139 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.633 ' HG ' ' HD3' ' B' ' 87' ' ' PRO . 90.5 mt -82.53 -50.14 9.13 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.252 -0.885 . . . . 74.21 109.962 174.357 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 27.4 t80 -136.49 132.02 34.75 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.016 -0.538 . . . . 54.43 109.645 -178.817 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.543 ' HB2' HG21 ' A' ' 3' ' ' ILE . 32.3 ttmt -131.92 146.54 52.17 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.999 0.428 . . . . 62.42 111.081 178.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.465 HG21 ' HB2' ' B' ' 48' ' ' GLN . 10.3 t -147.01 -179.51 6.86 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.363 -0.835 . . . . 73.02 108.91 172.077 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.406 ' O ' ' ND1' ' A' ' 22' ' ' HIS . . . -151.62 161.73 42.18 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.927 0.394 . . . . 64.34 110.661 -176.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -141.52 153.98 45.22 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.001 -0.545 . . . . 65.14 109.716 176.067 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 87.0 m -122.43 109.94 15.01 Favored 'General case' 0 N--CA 1.437 -1.098 0 N-CA-C 109.007 -0.738 . . . . 73.43 109.007 -172.457 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.537 ' HA ' ' O ' ' A' ' 18' ' ' ARG . 70.0 m -109.39 113.15 25.72 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 115.504 -0.771 . . . . 71.32 110.216 -179.209 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 4.0 m -95.47 157.27 15.97 Favored 'General case' 0 C--O 1.239 0.507 0 CA-C-N 115.692 -0.685 . . . . 72.12 110.829 -177.633 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -86.23 75.79 2.21 Favored Glycine 0 N--CA 1.447 -0.572 0 CA-C-N 115.815 -0.63 . . . . 62.44 111.586 175.38 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -65.88 -107.48 0.01 OUTLIER Glycine 0 C--N 1.332 0.356 0 C-N-CA 121.269 -0.491 . . . . 62.02 112.054 177.26 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.436 ' HD3' ' HA ' ' A' ' 15' ' ' ARG . 33.4 mmt180 -88.79 -51.73 5.49 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.86 -0.422 . . . . 73.04 109.86 174.251 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.553 ' HB3' ' HA ' ' A' ' 31' ' ' SER . 20.8 t70 -125.89 -42.48 1.9 Allowed 'General case' 0 N--CA 1.464 0.234 0 N-CA-C 109.831 -0.433 . . . . 74.22 109.831 171.754 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.415 ' O ' ' HG3' ' A' ' 29' ' ' LYS . . . -164.95 153.6 23.89 Favored Glycine 0 C--N 1.338 0.684 0 C-N-CA 120.284 -0.96 . . . . 73.12 111.961 165.846 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.546 ' HA ' ' HA ' ' A' ' 29' ' ' LYS . 0.8 OUTLIER -139.16 110.1 6.78 Favored 'General case' 0 C--O 1.221 -0.414 0 N-CA-C 109.48 -0.563 . . . . 73.24 109.48 178.848 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -109.61 124.13 50.63 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 120.708 0.29 . . . . 71.12 111.14 -174.458 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.487 HG23 ' O ' ' A' ' 26' ' ' LEU . 88.9 m -131.69 116.81 17.8 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.22 -0.446 . . . . 63.53 110.658 -179.118 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.533 ' CB ' ' HB3' ' A' ' 26' ' ' LEU . 28.3 t -69.35 115.06 8.19 Favored 'General case' 0 C--O 1.251 1.157 0 N-CA-C 107.707 -1.22 . . . . 62.3 107.707 176.247 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.413 ' C ' ' H ' ' A' ' 24' ' ' GLN . 3.4 p-80 -55.29 -27.19 45.05 Favored 'General case' 0 N--CA 1.472 0.673 0 O-C-N 126.459 2.349 . . . . 71.44 112.94 -162.083 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -80.45 14.97 1.79 Allowed 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.456 0.646 . . . . 73.43 109.676 -179.05 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.413 ' H ' ' C ' ' A' ' 22' ' ' HIS . 33.4 mm-40 71.41 17.27 5.84 Favored 'General case' 0 CA--C 1.514 -0.436 0 CA-C-N 114.397 -1.274 . . . . 72.53 110.347 173.342 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.446 ' NZ ' ' OD1' ' B' ' 45' ' ' ASN . 47.2 mtmt -89.0 -16.18 32.33 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 115.63 -0.714 . . . . 73.44 110.967 179.369 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.533 ' HB3' ' CB ' ' A' ' 21' ' ' SER . 62.2 tp -143.15 142.37 31.45 Favored 'General case' 0 C--O 1.218 -0.6 0 C-N-CA 119.232 -0.987 . . . . 74.42 110.578 174.047 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -155.65 97.43 1.85 Allowed 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.22 -0.659 . . . . 74.13 109.22 175.183 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 3.6 m -141.49 177.91 3.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 121.376 0.607 . . . . 62.12 111.482 179.367 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.546 ' HA ' ' HA ' ' A' ' 18' ' ' ARG . 17.2 ttmt -138.02 139.5 39.65 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 114.895 -1.048 . . . . 62.42 109.602 179.811 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.566 ' N ' HD13 ' A' ' 30' ' ' LEU . 0.0 OUTLIER -123.44 161.24 25.19 Favored 'General case' 0 C--O 1.251 1.182 0 CA-C-O 121.397 0.618 . . . . 64.12 110.812 179.196 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.553 ' HA ' ' HB3' ' A' ' 16' ' ' ASP . 56.1 m -157.88 119.13 3.54 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 114.518 -1.219 . . . . 75.34 109.414 -176.194 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.27 135.62 96.32 Favored Pre-proline 0 C--N 1.323 -0.548 0 CA-C-N 116.06 -0.518 . . . . 52.21 110.242 -179.547 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_exo -51.55 128.98 27.82 Favored 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 122.244 1.962 . . . . 73.33 111.206 176.546 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.415 ' HB2' ' N ' ' A' ' 40' ' ' GLY . 25.0 tpt180 -66.06 -12.94 58.82 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.941 -0.392 . . . . 50.12 109.941 -177.718 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.421 ' HB3' HD22 ' A' ' 36' ' ' LEU . 11.4 tp10 -51.55 -39.86 58.59 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-N 115.718 -0.674 . . . . 75.14 110.38 173.487 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.461 HD22 ' N ' ' A' ' 36' ' ' LEU . 1.6 mm? -97.57 12.51 33.25 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 116.129 -0.487 . . . . 63.44 110.416 -179.239 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.52 23.81 38.46 Favored Glycine 0 CA--C 1.518 0.235 0 C-N-CA 121.222 -0.513 . . . . 72.22 112.329 -177.479 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -79.52 -126.86 0.57 Allowed Glycine 0 C--N 1.334 0.431 0 C-N-CA 121.32 -0.467 . . . . 73.44 112.067 179.521 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -121.3 -13.74 8.42 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.796 0.298 . . . . 63.22 111.768 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.415 ' N ' ' HB2' ' A' ' 34' ' ' ARG . . . 50.5 35.06 28.4 Favored Glycine 0 CA--C 1.524 0.615 0 C-N-CA 121.468 -0.396 . . . . 45.53 113.449 -176.809 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -99.45 -170.48 1.91 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.907 0.384 . . . . 44.21 111.248 -177.435 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -91.8 83.36 5.25 Favored 'General case' 0 CA--C 1.51 -0.581 0 CA-C-O 122.101 0.953 . . . . 71.23 110.648 -178.059 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -155.88 -162.81 11.64 Favored Glycine 0 C--N 1.306 -1.1 0 CA-C-N 113.709 -1.587 . . . . 55.55 111.516 174.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.457 HG22 ' HB3' ' A' ' 30' ' ' LEU . 9.0 t -113.44 179.05 4.07 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.81 -0.441 . . . . 74.01 109.81 175.839 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -104.56 129.1 25.59 Favored Pre-proline 0 C--N 1.33 -0.261 0 N-CA-C 109.475 -0.565 . . . . 72.33 109.475 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.47 ' HB3' ' HB2' ' B' ' 57' ' ' CYS . 88.5 Cg_exo -48.01 -45.49 24.94 Favored 'Trans proline' 0 CA--C 1.535 0.555 0 C-N-CA 123.134 2.556 . . . . 63.04 113.593 -174.724 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.9 mp0 -66.02 -35.83 81.61 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 121.024 0.44 . . . . 62.13 110.343 -177.134 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 13.2 tt0 -67.08 -40.83 87.07 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.809 -0.632 . . . . 72.35 109.535 176.841 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -58.52 -50.48 73.6 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 115.467 -0.788 . . . . 71.11 109.844 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.455 ' CZ ' ' HE1' ' B' ' 124' ' ' TYR . 58.9 t80 -59.72 -52.34 65.9 Favored 'General case' 0 N--CA 1.462 0.142 0 CA-C-N 116.333 -0.394 . . . . 64.45 110.63 177.821 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.639 ' HB1' ' HB1' ' A' ' 81' ' ' ALA . . . -51.7 -50.86 59.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.893 -0.594 . . . . 52.03 111.596 -179.627 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.76 -47.39 86.55 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-O 120.946 0.403 . . . . 51.43 110.685 -179.609 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -62.61 -44.0 98.18 Favored Glycine 0 N--CA 1.451 -0.357 0 CA-C-N 115.714 -0.675 . . . . 45.35 112.594 -178.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -71.14 -36.26 72.02 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 122.172 0.189 . . . . 71.4 110.544 -178.272 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.537 ' OG ' ' HB2' ' A' ' 81' ' ' ALA . 67.7 m -65.95 -45.31 82.25 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.607 0.241 . . . . 50.31 110.42 178.688 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.407 ' HB2' ' HB2' ' B' ' 11' ' ' SER . . . -64.34 -43.66 93.9 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-O 121.372 0.606 . . . . 72.41 109.895 175.324 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 51.5 t -57.62 -36.28 71.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.196 -0.911 . . . . 74.4 110.644 176.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 12.0 t80 -55.18 -37.98 67.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.015 -0.539 . . . . 64.12 110.524 -177.778 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -73.37 -32.6 64.59 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.246 -0.434 . . . . 74.12 110.626 178.27 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.47 ' O ' ' HB3' ' A' ' 63' ' ' LYS . 29.9 t -67.6 -43.58 80.13 Favored 'General case' 0 C--O 1.236 0.369 0 N-CA-C 109.503 -0.554 . . . . 74.4 109.503 177.071 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.412 ' HB1' ' SG ' ' A' ' 122' ' ' CYS . . . -60.4 -47.88 84.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.717 -0.674 . . . . 64.15 110.089 175.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 83.5 mmm -64.88 -26.68 68.43 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 115.963 -0.562 . . . . 61.32 110.919 177.299 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.516 ' HE3' ' HA ' ' B' ' 16' ' ' ASP . 19.0 ttmm -64.54 -49.36 71.55 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.156 -0.683 . . . . 62.32 109.156 175.654 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 76.3 t80 -65.3 -43.53 90.84 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 115.257 -0.883 . . . . 70.35 110.51 178.271 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 42.0 t -57.9 -49.59 80.61 Favored 'Isoleucine or valine' 0 C--O 1.233 0.192 0 CA-C-N 116.074 -0.512 . . . . 51.41 110.566 177.818 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -57.44 -33.82 68.33 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.132 -0.485 . . . . 55.45 110.244 178.738 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -66.53 -33.2 83.9 Favored Glycine 0 CA--C 1.518 0.238 0 CA-C-N 115.36 -0.837 . . . . 65.01 112.327 -178.171 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 8.0 pt20 -94.56 -16.18 23.48 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 121.256 0.55 . . . . 73.33 109.806 -179.73 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 11.1 m-80 -93.18 4.68 53.59 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.393 -0.821 . . . . 73.35 110.817 178.113 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.7 mptp? 57.19 34.54 24.96 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-O 121.36 0.6 . . . . 70.5 111.213 174.115 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -130.77 164.14 25.79 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.323 -0.853 . . . . 65.11 110.161 -179.755 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 24.8 p -127.9 136.97 52.11 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.261 -0.427 . . . . 71.13 110.11 177.166 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -109.42 142.98 26.83 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.403 -0.362 . . . . 63.13 110.5 -179.769 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.499 ' O ' HG22 ' A' ' 77' ' ' THR . 76.9 Cg_exo -53.51 132.91 51.17 Favored 'Trans proline' 0 C--N 1.349 0.598 0 C-N-CA 123.122 2.548 . . . . 75.32 112.778 179.024 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -76.99 1.83 16.63 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 121.311 0.577 . . . . 74.43 111.195 177.83 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -90.5 0.73 57.21 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.528 -0.76 . . . . 72.44 111.09 -178.833 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.545 ' OG1' HD22 ' A' ' 103' ' ' LEU . 4.3 t -72.96 152.42 41.39 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.451 -0.795 . . . . 73.42 110.799 -179.067 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 33.7 m -150.25 149.32 30.0 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.916 -0.584 . . . . 65.01 110.074 179.356 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.493 HG22 ' HA ' ' A' ' 101' ' ' VAL . 87.1 t -130.65 123.79 55.54 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 115.902 -0.59 . . . . 73.54 109.492 176.685 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 87.9 m -104.43 115.21 29.97 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.289 -0.414 . . . . 61.0 110.32 -179.466 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.639 ' HB1' ' HB1' ' A' ' 51' ' ' ALA . . . -93.45 113.97 26.25 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.843 -0.617 . . . . 75.0 110.074 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.435 ' HG2' ' HD3' ' B' ' 6' ' ' LYS . 23.0 tt0 -114.86 107.74 15.81 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.241 -0.651 . . . . 74.0 109.241 -176.409 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 54.9 t -100.17 126.63 53.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.502 -0.772 . . . . 74.25 111.443 -171.799 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.456 ' HA2' ' HA ' ' B' ' 6' ' ' LYS . . . -123.9 157.72 18.35 Favored Glycine 0 N--CA 1.442 -0.906 0 N-CA-C 111.723 -0.551 . . . . 64.22 111.723 177.43 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.514 HD11 ' CD2' ' A' ' 93' ' ' PHE . 0.0 OUTLIER -142.59 130.63 20.27 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.787 0 N-CA-C 109.238 -0.653 . . . . 71.32 109.238 179.519 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . 0.555 ' HA2' ' HG ' ' B' ' 4' ' ' LEU . . . -139.96 169.91 24.5 Favored Glycine 0 CA--C 1.518 0.271 0 O-C-N 124.229 0.955 . . . . 64.2 111.336 179.679 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.744 ' HD3' ' HG ' ' B' ' 4' ' ' LEU . 85.2 Cg_endo -87.62 141.75 5.66 Favored 'Trans proline' 0 N--CA 1.456 -0.681 0 C-N-CA 122.527 2.152 . . . . 75.13 112.39 -175.76 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 22.2 t-20 -103.35 146.27 28.72 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.732 -0.667 . . . . 63.43 109.39 177.465 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -60.79 -16.01 35.98 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 116.414 -0.357 . . . . 74.31 111.867 -177.06 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -67.57 -24.37 65.51 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 121.069 0.461 . . . . 62.35 110.716 178.133 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.16 34.93 3.54 Favored Glycine 0 N--CA 1.453 -0.198 0 CA-C-N 116.006 -0.543 . . . . 52.42 111.89 -178.034 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -146.8 -171.95 16.59 Favored Glycine 0 N--CA 1.449 -0.45 0 N-CA-C 110.93 -0.868 . . . . 74.12 110.93 178.317 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.514 ' CD2' HD11 ' A' ' 85' ' ' ILE . 47.0 m-85 -97.93 151.73 19.97 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.033 0.444 . . . . 72.25 110.451 179.715 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -132.84 127.83 35.35 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.429 -0.805 . . . . 73.43 109.085 -178.253 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -98.24 139.96 33.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.165 0.507 . . . . 75.45 111.43 -174.191 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -125.42 110.26 13.72 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 114.712 -1.131 . . . . 62.1 108.392 175.744 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 60.6 t -111.81 110.42 32.12 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.057 0 C-N-CA 120.904 -0.318 . . . . 41.42 110.81 -176.096 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.63 ' HG2' ' HD3' ' A' ' 135' ' ' ARG . 45.0 mt-10 -90.38 123.69 34.32 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.21 -0.45 . . . . 51.52 110.307 -178.867 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 75.0 mt -107.93 107.16 17.75 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 108.976 -0.75 . . . . 73.33 108.976 173.553 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.484 ' O ' ' HA ' ' A' ' 79' ' ' VAL . 90.3 mtt-85 -99.05 105.55 17.69 Favored 'General case' 0 CA--C 1.513 -0.478 0 N-CA-C 109.506 -0.553 . . . . 73.43 109.506 -175.877 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.493 ' HA ' HG22 ' A' ' 79' ' ' VAL . 47.1 t -100.2 106.37 19.11 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 CA-C-N 115.34 -0.845 . . . . 72.23 111.122 -171.235 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.525 ' HA ' ' HB3' ' A' ' 139' ' ' ALA . . . -103.16 101.33 11.28 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.934 0.397 . . . . 73.1 109.949 175.666 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.545 HD22 ' OG1' ' A' ' 77' ' ' THR . 0.5 OUTLIER -109.07 114.13 58.43 Favored Pre-proline 0 C--N 1.328 -0.349 0 N-CA-C 108.804 -0.813 . . . . 73.31 108.804 175.909 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . 0.492 ' HG2' ' HB2' ' A' ' 74' ' ' PRO . 45.1 Cg_endo -70.63 144.53 49.66 Favored 'Trans proline' 0 N--CA 1.456 -0.727 0 C-N-CA 121.952 1.768 . . . . 73.52 111.899 -177.107 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 70.42 15.13 72.57 Favored Glycine 0 CA--C 1.521 0.42 0 CA-C-N 115.337 -0.847 . . . . 54.45 112.977 -177.662 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 24.8 tp -117.36 137.67 52.3 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-O 121.014 0.435 . . . . 65.03 111.365 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -71.33 144.19 50.0 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-N 115.404 -0.816 . . . . 72.42 110.323 176.036 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -62.79 -43.9 97.59 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.85 0.357 . . . . 74.35 110.596 175.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 0.447 ' HA ' ' HE2' ' A' ' 112' ' ' LYS . . . -55.6 -46.47 77.29 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 115.823 -0.626 . . . . 64.13 110.787 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.429 ' O ' ' HG ' ' A' ' 114' ' ' LEU . . . -72.57 -39.88 67.06 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.959 -0.564 . . . . 73.25 110.25 179.296 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -55.37 -39.5 70.19 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.631 -0.713 . . . . 54.13 111.049 -178.591 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.447 ' HE2' ' HA ' ' A' ' 109' ' ' ALA . 50.8 mtmt -51.29 -49.67 60.82 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.151 -0.477 . . . . 74.23 110.845 178.203 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -75.86 -39.62 56.24 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 116.132 -0.485 . . . . 74.22 110.65 -176.593 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.443 ' HA ' ' HD2' ' A' ' 117' ' ' ARG . 50.8 mt -60.48 -48.85 79.97 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 120.751 0.31 . . . . 61.01 110.538 -177.238 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 98.0 t -64.43 -32.64 58.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.846 -0.615 . . . . 72.22 110.187 177.579 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . 0.411 ' O ' ' HD2' ' A' ' 120' ' ' HIS . 26.5 t70 -65.56 -61.33 2.16 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 116.398 -0.364 . . . . 63.5 110.687 179.51 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . 0.453 HH11 ' HD3' ' A' ' 117' ' ' ARG . 2.0 ptp180 -58.59 -38.16 77.36 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-O 120.657 0.265 . . . . 65.24 110.88 -178.603 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -58.39 -44.51 88.96 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.238 0.542 . . . . 63.41 109.904 172.526 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 52.3 t60 -79.1 12.94 2.0 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-N 115.964 -0.562 . . . . 74.13 110.584 177.299 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . 0.411 ' HB2' ' O ' ' A' ' 117' ' ' ARG . 8.3 m-70 -108.12 -49.15 3.24 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 123.326 0.651 . . . . 75.14 109.43 169.89 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 32.0 m -92.38 -2.91 10.68 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.303 0 CA-C-N 115.762 -0.654 . . . . 74.54 111.739 -173.757 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' CYS . . . . . 0.521 ' N ' ' HD3' ' A' ' 123' ' ' PRO . 65.2 m -137.65 58.15 15.76 Favored Pre-proline 0 CA--C 1.536 0.433 0 CA-C-O 121.003 0.43 . . . . 72.12 110.921 176.536 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . 0.521 ' HD3' ' N ' ' A' ' 122' ' ' CYS . 43.0 Cg_endo -99.62 159.84 0.57 Allowed 'Trans proline' 0 N--CA 1.453 -0.896 0 C-N-CA 123.232 2.621 . . . . 74.45 112.398 176.736 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -90.13 -11.61 40.72 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.651 -0.5 . . . . 65.44 109.651 171.393 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 44.9 p 178.16 163.28 0.67 Allowed 'General case' 0 C--O 1.232 0.169 0 CA-C-N 115.308 -0.86 . . . . 62.44 109.34 177.363 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -55.68 -31.23 62.24 Favored 'General case' 0 C--O 1.239 0.539 0 CA-C-O 121.972 0.891 . . . . 73.42 109.057 171.601 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . 0.924 ' HB2' ' HB3' ' B' ' 127' ' ' ALA . . . -67.72 6.49 0.65 Allowed 'General case' 0 C--O 1.221 -0.441 0 CA-C-N 114.253 -1.339 . . . . 54.1 112.472 -178.409 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 6.0 t -88.86 -7.74 55.57 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 108.099 -1.075 . . . . 73.21 108.099 -172.411 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 4.2 ptp180 -146.06 -46.64 0.2 Allowed 'General case' 0 N--CA 1.441 -0.924 0 CA-C-N 114.562 -1.199 . . . . 72.04 111.856 -179.215 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 53.0 m-80 -72.19 -51.3 21.8 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.121 -0.491 . . . . 71.52 110.654 -175.024 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -84.92 -39.79 17.77 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.769 -0.651 . . . . 72.12 111.899 -173.738 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 61.9 t -110.52 137.15 44.13 Favored 'Isoleucine or valine' 0 C--O 1.235 0.341 0 CA-C-O 120.839 0.352 . . . . 70.22 110.665 -170.807 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -74.1 89.81 1.99 Allowed 'General case' 0 C--O 1.238 0.475 0 CA-C-O 121.657 0.741 . . . . 45.42 111.591 -177.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 40.2 t -105.71 102.48 13.92 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.766 0 CA-C-N 115.089 -0.959 . . . . 75.02 109.649 172.648 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . 0.63 ' HD3' ' HG2' ' A' ' 98' ' ' GLU . 75.9 ttt180 -71.77 97.12 1.72 Allowed 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 114.495 -1.23 . . . . 72.41 110.228 -177.865 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 59.3 mt -74.09 116.01 14.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.761 -0.654 . . . . 50.04 110.553 177.725 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . 0.454 ' O ' ' HA ' ' A' ' 100' ' ' ARG . 0.1 OUTLIER -126.41 114.82 39.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 115.534 -0.757 . . . . 74.42 109.859 -178.914 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 10.5 m -102.21 138.68 25.58 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.552 0 CA-C-O 121.506 0.67 . . . . 53.11 111.32 -177.688 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . 0.525 ' HB3' ' HA ' ' A' ' 102' ' ' ALA . . . . . . . . 0 C--N 1.313 -1.016 0 CA-C-N 114.346 -1.297 . . . . 73.13 110.697 -177.562 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 28.7 ptm . . . . . 0 C--O 1.234 0.28 0 CA-C-O 120.956 0.407 . . . . 72.42 110.843 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 53.8 t30 -96.06 85.19 3.97 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.781 -0.645 . . . . 61.35 109.839 -179.645 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . 0.475 HG21 ' HB2' ' B' ' 6' ' ' LYS . 30.4 mm -69.01 124.23 24.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-N 115.829 -0.623 . . . . 72.42 111.893 -179.143 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.744 ' HG ' ' HD3' ' A' ' 87' ' ' PRO . 87.2 mt -77.37 -40.78 42.69 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.072 -0.967 . . . . 75.25 109.97 174.263 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 5' ' ' TYR . . . . . . . . . . . . . 47.3 t80 -152.2 138.08 18.05 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 115.952 -0.567 . . . . 75.45 110.973 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . 0.475 ' HB2' HG21 ' B' ' 3' ' ' ILE . 31.0 ttmt -137.78 129.36 28.19 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.992 0.425 . . . . 65.01 110.755 176.317 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 9.9 t -118.34 164.07 15.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.42 -0.809 . . . . 72.52 109.194 178.528 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -133.21 150.11 51.99 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-O 121.3 0.571 . . . . 64.22 111.885 -175.078 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . 0.405 ' HA ' ' H ' ' B' ' 22' ' ' HIS . . . -145.03 116.99 8.28 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.691 -0.686 . . . . 31.45 109.898 177.128 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 9.3 t -92.66 118.07 30.65 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.102 0.477 . . . . 64.31 109.889 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 11' ' ' SER . . . . . 0.407 ' HB2' ' HB2' ' A' ' 56' ' ' ALA . 21.4 p -114.76 117.92 32.13 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.346 -0.388 . . . . 74.14 110.601 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 4.8 m -93.7 156.05 16.91 Favored 'General case' 0 C--O 1.24 0.599 0 CA-C-N 116.279 -0.419 . . . . 53.42 110.923 -178.378 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -83.13 72.29 2.87 Favored Glycine 0 N--CA 1.444 -0.789 0 N-CA-C 111.371 -0.692 . . . . 71.12 111.371 176.13 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -66.44 -154.89 0.31 Allowed Glycine 0 C--N 1.335 0.498 0 C-N-CA 121.042 -0.599 . . . . 73.4 112.408 177.403 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 39.7 ttm180 -53.85 -46.39 71.22 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 120.79 0.329 . . . . 65.14 110.145 -178.049 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 16' ' ' ASP . . . . . 0.516 ' HA ' ' HE3' ' A' ' 63' ' ' LYS . 11.0 t70 -125.75 -43.34 1.86 Allowed 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 109.914 -0.402 . . . . 65.33 109.914 171.671 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 17' ' ' GLY . . . . . 0.507 ' O ' ' HG3' ' B' ' 29' ' ' LYS . . . -171.04 156.49 26.61 Favored Glycine 0 C--N 1.345 1.05 0 C-N-CA 120.465 -0.874 . . . . 74.22 111.446 164.25 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 18' ' ' ARG . . . . . 0.625 ' HA ' ' HA ' ' B' ' 29' ' ' LYS . 0.0 OUTLIER -139.78 134.66 32.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 117.339 0.57 . . . . 74.4 109.797 178.816 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -133.8 128.0 33.84 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 120.74 0.305 . . . . 64.21 111.44 -175.784 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 20' ' ' THR . . . . . 0.432 HG23 ' O ' ' B' ' 26' ' ' LEU . 89.2 m -133.69 117.19 16.69 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.265 -0.425 . . . . 75.11 110.267 177.263 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 21' ' ' SER . . . . . 0.571 ' HB3' ' N ' ' B' ' 26' ' ' LEU . 14.9 t -73.77 113.58 11.08 Favored 'General case' 0 C--O 1.247 0.945 0 N-CA-C 108.467 -0.938 . . . . 74.21 108.467 175.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 22' ' ' HIS . . . . . 0.456 ' C ' ' H ' ' B' ' 24' ' ' GLN . 11.4 t-80 -49.98 -32.7 15.72 Favored 'General case' 0 N--CA 1.469 0.481 0 O-C-N 126.302 2.252 . . . . 73.12 112.984 -170.728 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -80.11 19.46 0.73 Allowed 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.194 0.521 . . . . 63.54 109.765 -175.404 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . 0.456 ' H ' ' C ' ' B' ' 22' ' ' HIS . 27.8 mm-40 65.77 21.91 11.51 Favored 'General case' 0 CA--C 1.519 -0.242 0 CA-C-N 115.029 -0.987 . . . . 71.43 109.43 178.832 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.516 ' HB2' ' OG ' ' B' ' 21' ' ' SER . 9.7 mmpt? -80.66 -30.87 36.51 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 114.794 -1.094 . . . . 41.25 109.89 178.439 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . 0.571 ' N ' ' HB3' ' B' ' 21' ' ' SER . 56.9 tp -149.59 148.61 29.55 Favored 'General case' 0 C--N 1.345 0.412 0 C-N-CA 119.92 -0.712 . . . . 71.52 111.191 -177.094 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -158.26 90.86 1.06 Allowed 'General case' 0 N--CA 1.465 0.288 0 O-C-N 123.61 0.569 . . . . 53.33 109.754 174.175 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . 0.45 HG22 HD11 ' B' ' 26' ' ' LEU . 5.9 m -146.53 178.1 1.19 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.436 0 CA-C-O 121.473 0.654 . . . . 74.12 111.783 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.625 ' HA ' ' HA ' ' B' ' 18' ' ' ARG . 21.5 tttm -126.29 140.93 52.14 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 114.72 -1.127 . . . . 64.31 109.513 176.863 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . 0.549 ' HA ' ' H ' ' B' ' 44' ' ' THR . 0.0 OUTLIER -121.74 165.16 16.24 Favored 'General case' 0 C--O 1.257 1.472 0 CA-C-O 121.089 0.471 . . . . 72.32 110.201 178.129 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . 0.473 ' HA ' ' HB3' ' B' ' 16' ' ' ASP . 50.1 m -162.18 129.33 3.81 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 115.389 -0.823 . . . . 62.35 111.479 -171.412 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -66.18 145.66 99.0 Favored Pre-proline 0 N--CA 1.453 -0.305 0 CA-C-N 116.011 -0.54 . . . . 75.13 109.815 172.739 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 33' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -68.26 4.83 1.4 Allowed 'Trans proline' 0 C--N 1.348 0.543 0 C-N-CA 122.833 2.356 . . . . 71.3 113.001 -175.279 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 34' ' ' ARG . . . . . 0.536 ' HB2' ' CA ' ' B' ' 40' ' ' GLY . 0.0 OUTLIER 76.23 -42.35 0.44 Allowed 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 123.667 0.787 . . . . 71.43 111.255 177.541 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 16.3 tp10 -43.73 -31.45 0.8 Allowed 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 123.611 0.765 . . . . 72.42 112.969 -173.211 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.539 ' HG ' HD12 ' B' ' 85' ' ' ILE . 1.6 mm? -95.88 -37.41 10.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.888 0.375 . . . . 63.52 110.31 -177.743 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 153.39 54.67 0.01 OUTLIER Glycine 0 C--N 1.331 0.275 0 CA-C-N 115.929 -0.578 . . . . 51.22 112.632 179.629 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . 0.454 ' H ' ' HA ' ' B' ' 34' ' ' ARG . . . -122.68 -139.01 5.44 Favored Glycine 0 N--CA 1.449 -0.477 0 N-CA-C 111.148 -0.781 . . . . 64.12 111.148 176.386 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -118.54 -11.34 9.93 Favored 'General case' 0 C--N 1.322 -0.629 0 C-N-CA 122.242 0.217 . . . . 71.25 111.557 -178.236 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 40' ' ' GLY . . . . . 0.536 ' CA ' ' HB2' ' B' ' 34' ' ' ARG . . . 54.3 64.08 4.61 Favored Glycine 0 C--N 1.334 0.42 0 CA-C-N 116.324 -0.398 . . . . 53.13 112.933 -178.281 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . 0.414 ' HB3' ' OG ' ' B' ' 31' ' ' SER . . . -114.75 172.15 7.21 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.019 0.437 . . . . 45.11 111.635 -177.056 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -66.55 77.29 0.11 Allowed 'General case' 0 CA--C 1.538 0.495 0 CA-C-N 115.441 -0.799 . . . . 74.14 111.226 177.541 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -159.57 -178.51 33.64 Favored Glycine 0 N--CA 1.453 -0.183 0 C-N-CA 120.533 -0.841 . . . . 72.12 113.107 177.701 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 44' ' ' THR . . . . . 0.549 ' H ' ' HA ' ' B' ' 30' ' ' LEU . 30.3 m -90.6 140.57 29.63 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 110.171 -0.307 . . . . 35.03 110.171 -178.763 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 45' ' ' ASN . . . . . 0.766 ' HB2' ' HB3' ' B' ' 48' ' ' GLN . 1.3 m-20 -61.07 138.66 94.3 Favored Pre-proline 0 C--N 1.328 -0.339 0 N-CA-C 109.63 -0.507 . . . . 71.14 109.63 178.325 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 46' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -58.03 -50.24 10.64 Favored 'Trans proline' 0 C--N 1.348 0.551 0 C-N-CA 122.655 2.237 . . . . 54.41 112.528 -179.541 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 47' ' ' GLU . . . . . 0.43 ' OE1' ' HB3' ' B' ' 45' ' ' ASN . 0.0 OUTLIER -64.05 -43.06 96.67 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-O 120.811 0.338 . . . . 73.03 110.148 179.693 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . 0.766 ' HB3' ' HB2' ' B' ' 45' ' ' ASN . 33.2 tt0 -59.1 -43.34 91.85 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.697 -0.683 . . . . 65.22 111.511 176.891 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -61.92 -48.25 81.3 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.43 -0.582 . . . . 73.15 109.43 179.709 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 20.1 t80 -60.8 -44.39 96.9 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.432 -0.804 . . . . 74.53 111.118 177.298 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . 0.452 ' HB2' HG11 ' B' ' 83' ' ' VAL . . . -53.58 -50.8 64.82 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.206 -0.452 . . . . 63.22 110.662 177.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -58.94 -45.99 89.08 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 115.693 -0.685 . . . . 74.31 110.684 178.354 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -64.63 -37.6 94.6 Favored Glycine 0 CA--C 1.52 0.393 0 CA-C-N 115.83 -0.623 . . . . 73.22 112.657 -179.549 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -72.1 -40.79 67.93 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 122.507 0.323 . . . . 73.14 110.168 -177.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 55' ' ' SER . . . . . 0.587 ' HB3' ' HB2' ' B' ' 81' ' ' ALA . 17.6 p -64.79 -46.19 83.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.879 0.371 . . . . 71.55 110.189 178.149 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 56' ' ' ALA . . . . . 0.491 ' HB1' HD21 ' A' ' 30' ' ' LEU . . . -62.77 -44.66 95.61 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 116.025 -0.534 . . . . 72.32 110.556 176.81 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 57' ' ' CYS . . . . . 0.47 ' HB2' ' HB3' ' A' ' 46' ' ' PRO . 39.1 t -61.15 -40.95 95.77 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.671 -0.695 . . . . 72.4 110.478 178.594 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 31.8 t80 -64.79 -36.49 84.47 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 116.044 -0.525 . . . . 52.32 109.924 -177.024 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 6.1 tt -69.72 -49.54 52.29 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 115.922 -0.581 . . . . 64.41 110.18 -179.139 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 60' ' ' SER . . . . . 0.552 ' O ' ' HB3' ' B' ' 63' ' ' LYS . 25.6 t -64.87 -41.59 95.53 Favored 'General case' 0 C--O 1.237 0.446 0 CA-C-O 121.228 0.537 . . . . 73.23 110.384 -179.433 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -64.66 -44.28 90.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 44.1 110.244 177.526 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 62' ' ' MET . . . . . 0.612 ' SD ' ' HB1' ' B' ' 118' ' ' ALA . 3.2 tpt -59.69 -37.18 78.11 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-O 121.3 0.572 . . . . 71.0 109.706 176.852 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . 0.552 ' HB3' ' O ' ' B' ' 60' ' ' SER . 80.6 tttt -58.9 -50.62 73.34 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 115.105 -0.952 . . . . 72.03 110.303 175.635 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 81.6 t80 -63.85 -44.54 92.86 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 116.313 -0.403 . . . . 73.11 110.931 178.448 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 44.1 t -56.28 -41.77 71.74 Favored 'Isoleucine or valine' 0 C--O 1.235 0.301 0 CA-C-N 116.086 -0.506 . . . . 75.05 110.976 -179.64 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -54.19 -32.95 56.99 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.013 0.435 . . . . 74.13 110.552 177.711 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -72.07 -26.2 72.94 Favored Glycine 0 N--CA 1.451 -0.308 0 CA-C-N 115.577 -0.738 . . . . 75.04 112.679 -177.128 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 68' ' ' GLN . . . . . 0.407 ' HG3' HD22 ' B' ' 69' ' ' ASN . 13.0 pt20 -99.1 -14.71 19.28 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 121.277 0.561 . . . . 64.5 109.509 179.16 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 69' ' ' ASN . . . . . 0.407 HD22 ' HG3' ' B' ' 68' ' ' GLN . 0.9 OUTLIER -94.54 -5.34 46.19 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.363 -0.835 . . . . 65.21 110.514 176.831 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 70' ' ' LYS . . . . . 0.49 ' HD3' ' N ' ' B' ' 70' ' ' LYS . 11.7 mmtp 67.07 24.23 9.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.229 -0.896 . . . . 73.12 110.859 173.5 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -112.48 168.04 9.97 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.568 -0.742 . . . . 74.24 110.11 178.789 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 1.2 p -127.15 134.68 50.15 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.923 -0.581 . . . . 74.12 110.207 -179.576 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . 0.514 HD11 ' HG3' ' B' ' 62' ' ' MET . 87.9 mt -109.3 144.76 30.42 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 116.371 -0.377 . . . . 75.15 110.996 -176.632 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 74' ' ' PRO . . . . . 0.645 ' HD2' HD11 ' B' ' 103' ' ' LEU . 24.6 Cg_exo -64.3 120.55 7.91 Favored 'Trans proline' 0 C--N 1.349 0.571 0 C-N-CA 122.596 2.197 . . . . 62.01 111.37 174.049 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -76.92 -3.6 39.59 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.907 0.384 . . . . 71.53 111.264 -177.158 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -91.77 10.23 29.33 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-O 121.382 0.61 . . . . 60.22 110.736 -179.393 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 77' ' ' THR . . . . . 0.492 ' HB ' HD12 ' B' ' 103' ' ' LEU . 9.1 t -80.79 172.75 13.36 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.933 -0.576 . . . . 73.25 112.204 -176.33 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 22.2 m -152.0 149.25 28.68 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 115.887 -0.597 . . . . 71.23 110.4 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 96.6 t -127.0 125.13 65.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 N-CA-C 109.867 -0.42 . . . . 54.24 109.867 176.72 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 80' ' ' THR . . . . . 0.495 ' HB ' ' HB2' ' B' ' 100' ' ' ARG . 24.2 m -110.7 113.57 26.27 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.118 -0.492 . . . . 72.42 110.253 -179.764 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 81' ' ' ALA . . . . . 0.587 ' HB2' ' HB3' ' B' ' 55' ' ' SER . . . -93.25 107.87 19.61 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.439 -0.346 . . . . 73.43 110.367 -178.748 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -102.25 115.47 30.62 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.519 -0.549 . . . . 71.23 109.519 178.232 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . 0.452 HG11 ' HB2' ' B' ' 51' ' ' ALA . 16.7 m -117.35 140.68 39.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 121.004 0.431 . . . . 71.44 111.1 -177.491 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 84' ' ' GLY . . . . . . . . . . . . . . . -132.01 149.09 19.31 Favored Glycine 0 N--CA 1.442 -0.904 0 N-CA-C 111.263 -0.735 . . . . 52.45 111.263 175.048 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 85' ' ' ILE . . . . . 0.539 HD12 ' HG ' ' B' ' 36' ' ' LEU . 0.0 OUTLIER -123.28 130.91 74.01 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 N-CA-C 109.258 -0.645 . . . . 73.1 109.258 -179.876 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 86' ' ' GLY . . . . . 0.556 ' HA2' ' HG ' ' A' ' 4' ' ' LEU . . . -141.63 170.29 24.84 Favored Glycine 0 C--N 1.332 0.315 0 O-C-N 124.033 0.833 . . . . 52.3 111.151 -176.08 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 87' ' ' PRO . . . . . 0.633 ' HD3' ' HG ' ' A' ' 4' ' ' LEU . 7.3 Cg_endo -81.24 126.18 5.47 Favored 'Trans proline' 0 N--CA 1.455 -0.751 0 C-N-CA 122.528 2.152 . . . . 61.3 112.05 -175.041 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 88' ' ' ASN . . . . . . . . . . . . . 54.0 t-20 -76.22 130.91 38.9 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 108.872 -0.788 . . . . 72.3 108.872 176.531 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -61.24 -15.21 32.27 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.953 0.406 . . . . 65.22 110.979 -177.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -67.18 -17.49 64.86 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 115.836 -0.62 . . . . 74.05 110.895 177.023 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.61 35.34 3.31 Favored Glycine 0 N--CA 1.454 -0.115 0 CA-C-N 115.972 -0.558 . . . . 72.2 111.767 -176.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . -150.05 -149.51 5.03 Favored Glycine 0 C--N 1.33 0.228 0 N-CA-C 111.325 -0.71 . . . . 70.13 111.325 178.184 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 93' ' ' PHE . . . . . . . . . . . . . 68.0 m-85 -111.48 162.88 14.63 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 117.054 0.427 . . . . 73.12 110.456 177.798 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -149.21 142.36 24.98 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.832 -0.622 . . . . 62.21 110.154 -179.172 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -102.6 149.19 24.67 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-O 121.052 0.453 . . . . 74.21 110.687 178.764 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 96' ' ' ASP . . . . . 0.458 ' HB3' HD11 ' A' ' 3' ' ' ILE . 48.5 t0 -137.04 110.18 7.77 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 108.093 -1.077 . . . . 73.53 108.093 175.636 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 97' ' ' VAL . . . . . 0.432 HG13 HG13 ' B' ' 134' ' ' VAL . 2.6 p -113.98 116.52 52.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 121.706 0.765 . . . . 65.34 111.514 -173.155 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 98' ' ' GLU . . . . . 0.566 ' HG2' ' HB2' ' B' ' 135' ' ' ARG . 49.6 mt-10 -104.41 113.55 27.18 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 114.839 -1.073 . . . . 74.42 109.433 178.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 90.5 mt -94.58 116.97 29.4 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.037 -0.528 . . . . 61.12 110.125 -177.617 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 100' ' ' ARG . . . . . 0.567 ' HA ' ' O ' ' B' ' 137' ' ' VAL . 98.5 mtt180 -99.03 120.13 38.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.093 -0.503 . . . . 64.11 110.112 -177.646 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 101' ' ' VAL . . . . . . . . . . . . . 83.9 t -105.33 112.3 38.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 115.537 -0.756 . . . . 60.12 110.646 -177.564 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -107.23 100.96 10.38 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.624 -0.509 . . . . 53.32 109.624 174.512 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 103' ' ' LEU . . . . . 0.845 HD23 HD22 ' B' ' 106' ' ' LEU . 23.7 tp -114.02 116.61 44.73 Favored Pre-proline 0 C--N 1.327 -0.383 0 N-CA-C 108.334 -0.987 . . . . 72.24 108.334 -179.433 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 104' ' ' PRO . . . . . 0.519 ' HD2' HD12 ' B' ' 103' ' ' LEU . 61.6 Cg_endo -71.19 145.72 49.71 Favored 'Trans proline' 0 N--CA 1.462 -0.324 0 C-N-CA 122.472 2.114 . . . . 74.24 113.664 -169.054 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 105' ' ' GLY . . . . . . . . . . . . . . . 70.57 14.86 72.71 Favored Glycine 0 CA--C 1.519 0.313 0 CA-C-N 114.693 -1.139 . . . . 72.34 112.76 -179.8 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 106' ' ' LEU . . . . . 0.845 HD22 HD23 ' B' ' 103' ' ' LEU . 30.9 tp -115.09 140.28 49.19 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-O 121.183 0.516 . . . . 60.53 111.927 -175.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -76.01 144.57 40.8 Favored 'General case' 0 N--CA 1.462 0.134 0 CA-C-N 115.529 -0.76 . . . . 63.12 110.242 174.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -64.03 -36.86 85.37 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.921 0.391 . . . . 34.32 110.824 -179.771 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -60.52 -51.39 69.66 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.089 -0.505 . . . . 64.51 110.462 179.288 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 110' ' ' ALA . . . . . 0.493 ' O ' HG22 ' B' ' 113' ' ' THR . . . -66.69 -37.76 85.39 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-O 121.21 0.528 . . . . 72.03 110.22 178.409 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 111' ' ' ALA . . . . . 0.444 ' HA ' HD21 ' B' ' 106' ' ' LEU . . . -57.01 -41.2 78.1 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.667 -0.697 . . . . 64.14 110.978 179.758 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 112' ' ' LYS . . . . . . . . . . . . . 59.5 mttp -54.94 -35.48 64.26 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 116.247 -0.433 . . . . 74.45 111.356 178.142 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 113' ' ' THR . . . . . 0.493 HG22 ' O ' ' B' ' 110' ' ' ALA . 0.6 OUTLIER -82.25 -35.78 27.78 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-O 120.727 0.299 . . . . 72.03 110.608 179.326 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 58.8 mt -66.8 -45.26 78.95 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-O 120.852 0.358 . . . . 70.23 110.799 -178.526 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 115' ' ' VAL . . . . . 0.522 HG21 HG12 ' B' ' 138' ' ' VAL . 57.8 t -65.72 -32.4 58.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 121.087 0.47 . . . . 63.55 110.128 177.283 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -60.32 -61.18 2.79 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.768 -0.651 . . . . 75.43 110.585 177.509 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 117' ' ' ARG . . . . . 0.412 ' HG2' ' O ' ' B' ' 113' ' ' THR . 7.0 ptm180 -61.52 -36.39 80.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.663 -0.699 . . . . 70.2 110.787 -178.292 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 118' ' ' ALA . . . . . 0.612 ' HB1' ' SD ' ' B' ' 62' ' ' MET . . . -65.04 -47.34 77.72 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.493 -0.776 . . . . 61.11 111.241 178.639 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -74.77 -0.32 17.85 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-O 120.794 0.33 . . . . 74.31 111.024 -174.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 15.0 t60 -65.93 -44.17 85.89 Favored 'General case' 0 C--N 1.332 -0.196 0 N-CA-C 108.824 -0.806 . . . . 61.52 108.824 173.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 23.5 m -89.89 59.58 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.34 -0.846 . . . . 63.42 109.468 175.664 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 122' ' ' CYS . . . . . 0.425 ' HA ' ' HD3' ' B' ' 123' ' ' PRO . 41.8 t -65.13 114.99 17.33 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 115.119 -0.946 . . . . 74.53 109.982 -177.76 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 123' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' B' ' 122' ' ' CYS . 53.1 Cg_exo -55.07 -50.71 12.23 Favored 'Trans proline' 0 C--N 1.352 0.713 0 C-N-CA 123.248 2.632 . . . . 65.25 113.125 -173.168 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 124' ' ' TYR . . . . . 0.716 ' HB3' HG21 ' B' ' 128' ' ' THR . 23.3 t80 -62.78 -54.85 32.67 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 116.475 -0.329 . . . . 65.35 110.69 -176.316 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 125' ' ' SER . . . . . 0.655 ' O ' HG22 ' B' ' 128' ' ' THR . 29.8 t 173.53 164.2 0.16 Allowed 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 121.161 0.505 . . . . 64.23 111.514 -177.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 126' ' ' ASN . . . . . 0.422 ' OD1' ' N ' ' B' ' 127' ' ' ALA . 29.9 p30 -72.43 -35.26 68.28 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 115.727 -0.67 . . . . 74.24 110.032 171.232 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 127' ' ' ALA . . . . . 0.924 ' HB3' ' HB2' ' A' ' 127' ' ' ALA . . . -78.38 6.03 9.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.783 -0.644 . . . . 65.3 111.366 -177.092 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 128' ' ' THR . . . . . 0.716 HG21 ' HB3' ' B' ' 124' ' ' TYR . 1.4 t -107.51 -2.78 20.06 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.494 -0.558 . . . . 55.14 109.494 178.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 129' ' ' ARG . . . . . 0.432 ' HG3' ' N ' ' B' ' 130' ' ' ASN . 13.3 ptm180 -121.95 -43.89 2.33 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-N 115.597 -0.728 . . . . 75.21 110.38 178.447 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 130' ' ' ASN . . . . . 0.432 ' N ' ' HG3' ' B' ' 129' ' ' ARG . 13.7 m120 -78.48 -51.99 9.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.078 -0.51 . . . . 74.14 110.323 178.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 131' ' ' ASN . . . . . 0.548 ' HB3' ' O ' ' B' ' 127' ' ' ALA . 9.7 t30 -73.56 -43.98 58.53 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.937 -0.574 . . . . 75.43 110.519 -178.609 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 132' ' ' VAL . . . . . . . . . . . . . 55.9 t -86.18 144.93 8.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.939 -0.573 . . . . 52.13 109.839 178.77 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 133' ' ' ALA . . . . . 0.654 ' HB1' ' NH1' ' B' ' 135' ' ' ARG . . . -78.97 101.38 7.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.97 0.414 . . . . 72.23 111.334 -176.767 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 134' ' ' VAL . . . . . 0.432 HG13 HG13 ' B' ' 97' ' ' VAL . 6.8 t -120.88 134.77 63.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 115.751 -0.659 . . . . 61.1 110.611 178.748 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 135' ' ' ARG . . . . . 0.654 ' NH1' ' HB1' ' B' ' 133' ' ' ALA . 1.7 mpt_? -114.38 120.49 40.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.119 -0.492 . . . . 74.32 110.017 175.64 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 136' ' ' LEU . . . . . 0.422 HD13 HG12 ' B' ' 115' ' ' VAL . 72.8 mt -87.16 107.08 18.3 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.336 0.589 . . . . 72.41 110.879 178.494 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 137' ' ' VAL . . . . . 0.567 ' O ' ' HA ' ' B' ' 100' ' ' ARG . 0.2 OUTLIER -112.14 115.18 49.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.256 -0.884 . . . . 72.22 110.105 -179.035 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 138' ' ' VAL . . . . . 0.522 HG12 HG21 ' B' ' 115' ' ' VAL . 2.8 m -98.56 138.48 23.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.846 -0.616 . . . . 70.52 110.12 -177.663 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 139' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.292 0 CA-C-N 115.722 -0.672 . . . . 71.35 110.903 -176.038 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.402 ' HE1' ' HB3' ' B' ' 94' ' ' ALA . 16.9 ptt? . . . . . 0 N--CA 1.484 1.227 0 N-CA-C 110.027 -0.36 . . . . 71.43 110.027 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 53.5 t30 -70.62 71.78 0.5 Allowed 'General case' 0 CA--C 1.534 0.327 0 CA-C-O 121.364 0.602 . . . . 75.52 110.496 175.62 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.525 HG21 ' HB2' ' A' ' 6' ' ' LYS . 24.8 mm -75.9 134.03 29.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.803 -0.635 . . . . 51.02 111.497 177.594 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.718 ' HG ' ' HA2' ' B' ' 86' ' ' GLY . 60.8 mt -88.62 -46.83 8.74 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.215 -0.902 . . . . 74.21 109.092 171.014 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 42.3 t80 -139.7 132.61 29.3 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 115.872 -0.604 . . . . 54.43 110.255 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.525 ' HB2' HG21 ' A' ' 3' ' ' ILE . 30.0 ttmt -139.48 134.41 32.24 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.74 0.305 . . . . 62.42 110.391 175.614 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 15.2 t -143.13 170.58 15.45 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.615 -0.513 . . . . 73.02 109.615 177.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.484 ' HA ' ' HA ' ' B' ' 82' ' ' GLU . . . -133.83 156.47 47.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.287 0.565 . . . . 64.34 112.33 -173.866 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -132.6 121.39 23.14 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.348 -0.842 . . . . 65.14 108.879 171.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.472 ' HA ' ' HA ' ' B' ' 80' ' ' THR . 8.1 t -100.27 120.63 40.21 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.715 -0.476 . . . . 73.43 109.715 -176.042 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 97.7 p -103.57 120.5 41.01 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.032 -0.531 . . . . 71.32 110.178 -179.636 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.64 ' HA ' HG22 ' B' ' 78' ' ' THR . 3.3 m -96.71 156.79 16.19 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.432 -0.349 . . . . 72.12 110.165 179.146 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -75.1 66.15 2.22 Favored Glycine 0 N--CA 1.443 -0.867 0 C-N-CA 120.91 -0.662 . . . . 62.44 112.626 176.285 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -63.17 -165.24 0.6 Allowed Glycine 0 C--N 1.34 0.766 0 C-N-CA 120.808 -0.711 . . . . 62.02 111.994 171.574 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 96.0 mtt180 -47.38 -48.18 25.95 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 116.941 0.371 . . . . 73.04 111.1 -176.608 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.552 ' HB3' ' HA ' ' A' ' 31' ' ' SER . 23.4 t0 -125.79 -43.0 1.88 Allowed 'General case' 0 CA--C 1.515 -0.401 0 N-CA-C 109.37 -0.604 . . . . 74.22 109.37 166.843 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -158.85 147.95 16.27 Favored Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 119.504 -1.332 . . . . 73.12 112.475 169.209 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 45.5 ttp180 -123.28 144.38 49.45 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.459 -0.941 . . . . 73.24 108.459 172.019 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -136.42 123.78 21.98 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.818 -0.438 . . . . 71.12 109.818 -177.596 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.401 ' HA ' ' O ' ' A' ' 26' ' ' LEU . 11.2 m -130.76 114.3 15.18 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.261 -0.427 . . . . 63.53 110.497 -176.317 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.613 ' CB ' ' HB3' ' A' ' 26' ' ' LEU . 35.9 t -66.6 108.03 2.3 Favored 'General case' 0 C--O 1.254 1.33 0 N-CA-C 107.418 -1.327 . . . . 62.3 107.418 175.679 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 30.8 t-80 -62.99 -9.07 8.62 Favored 'General case' 0 C--N 1.349 0.576 0 O-C-N 126.703 2.502 . . . . 71.44 111.603 -171.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.445 ' OD1' ' HE3' ' A' ' 25' ' ' LYS . 27.7 t70 -79.72 8.43 6.67 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 108.204 -1.035 . . . . 73.43 108.204 173.723 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 29.9 mm-40 70.95 28.92 3.12 Favored 'General case' 0 CA--C 1.516 -0.331 0 CA-C-N 114.3 -1.318 . . . . 72.53 110.597 172.455 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.445 ' HE3' ' OD1' ' A' ' 23' ' ' ASP . 18.6 ptpt -117.47 -10.12 10.73 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.839 -0.618 . . . . 73.44 112.348 -179.363 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.613 ' HB3' ' CB ' ' A' ' 21' ' ' SER . 59.9 tp -140.78 139.94 34.68 Favored 'General case' 0 C--O 1.219 -0.515 0 C-N-CA 118.246 -1.381 . . . . 74.42 111.766 177.405 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -152.65 98.46 2.35 Favored 'General case' 0 C--O 1.235 0.299 0 N-CA-C 109.01 -0.737 . . . . 74.13 109.01 173.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 2.9 m -135.65 177.97 5.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.611 -0.722 . . . . 62.12 111.344 -177.538 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 11.6 ttpp -138.28 137.7 37.72 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.533 -0.758 . . . . 62.42 110.357 -179.115 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.628 ' HA ' ' H ' ' A' ' 44' ' ' THR . 0.0 OUTLIER -125.87 164.47 20.67 Favored 'General case' 0 C--O 1.255 1.357 0 CA-C-N 115.892 -0.595 . . . . 64.12 110.382 178.229 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.552 ' HA ' ' HB3' ' A' ' 16' ' ' ASP . 29.7 m -161.64 137.22 7.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.18 -0.918 . . . . 75.34 110.355 -174.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -80.93 117.19 66.97 Favored Pre-proline 0 C--O 1.241 0.629 0 CA-C-N 116.126 -0.488 . . . . 52.21 109.962 174.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 81.3 Cg_exo -47.5 139.52 17.4 Favored 'Trans proline' 0 C--N 1.35 0.649 0 C-N-CA 122.762 2.308 . . . . 73.33 111.451 176.616 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.507 ' HB2' ' CA ' ' A' ' 40' ' ' GLY . 12.0 ttt180 -78.67 9.66 3.92 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.783 0.325 . . . . 50.12 111.607 -170.241 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -51.57 -43.92 62.58 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.825 -0.625 . . . . 75.14 111.173 -178.855 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 55.7 mt -108.91 29.69 7.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.762 -0.654 . . . . 63.44 110.988 -174.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 79.65 49.17 6.26 Favored Glycine 0 C--N 1.331 0.285 0 C-N-CA 120.824 -0.703 . . . . 72.22 112.01 -178.169 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.498 ' H ' ' HA ' ' A' ' 34' ' ' ARG . . . -103.24 -133.66 8.04 Favored Glycine 0 N--CA 1.453 -0.207 0 N-CA-C 112.114 -0.394 . . . . 73.44 112.114 -178.162 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -102.09 -42.02 6.22 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.977 0.418 . . . . 63.22 110.844 -177.814 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.507 ' CA ' ' HB2' ' A' ' 34' ' ' ARG . . . 75.21 92.67 0.17 Allowed Glycine 0 N--CA 1.449 -0.463 0 CA-C-N 115.855 -0.611 . . . . 45.53 112.31 -175.82 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.442 ' HB3' ' CB ' ' A' ' 31' ' ' SER . . . -161.87 176.5 10.77 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.024 0.44 . . . . 44.21 111.124 178.818 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -77.5 2.43 16.31 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 115.247 -0.888 . . . . 71.23 111.206 -178.033 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -68.08 175.46 28.0 Favored Glycine 0 C--O 1.237 0.327 0 CA-C-N 115.781 -0.645 . . . . 55.55 113.495 -172.805 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.628 ' H ' ' HA ' ' A' ' 30' ' ' LEU . 9.5 m -95.02 158.22 15.56 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.785 -0.45 . . . . 74.01 109.785 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.42 ' HB2' ' HB3' ' A' ' 48' ' ' GLN . 9.7 m120 -79.52 124.08 84.01 Favored Pre-proline 0 CA--C 1.534 0.328 0 N-CA-C 110.194 -0.298 . . . . 72.33 110.194 179.05 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -56.05 -51.39 9.64 Favored 'Trans proline' 0 CA--C 1.537 0.632 0 C-N-CA 122.872 2.381 . . . . 63.04 112.85 178.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -56.98 -38.35 72.91 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-O 121.257 0.551 . . . . 62.13 110.068 179.682 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.437 ' OE1' ' HB2' ' B' ' 21' ' ' SER . 0.9 OUTLIER -62.29 -40.54 96.61 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 115.56 -0.745 . . . . 72.35 109.898 176.358 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.482 HD12 ' HA3' ' B' ' 53' ' ' GLY . 2.6 tm? -62.14 -44.23 97.09 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.485 -0.561 . . . . 71.11 109.485 -178.521 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 54.6 t80 -63.61 -47.83 79.81 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.487 -0.324 . . . . 64.45 110.771 176.533 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.511 ' HB1' ' HB1' ' A' ' 81' ' ' ALA . . . -57.41 -52.72 64.21 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 116.21 -0.45 . . . . 52.03 110.988 -179.345 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.64 -35.3 79.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.893 -0.594 . . . . 51.43 110.513 179.467 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -63.57 -41.78 99.06 Favored Glycine 0 N--CA 1.449 -0.447 0 N-CA-C 111.624 -0.59 . . . . 45.35 111.624 175.793 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -60.46 -54.56 44.02 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.529 -0.545 . . . . 71.4 109.529 178.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 27.4 p -63.42 -37.83 88.79 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.251 -0.431 . . . . 50.31 111.038 -177.516 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.27 -42.45 88.44 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-O 121.01 0.433 . . . . 72.41 110.666 177.616 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 74.0 m -66.07 -36.44 83.21 Favored 'General case' 0 C--N 1.332 -0.163 0 N-CA-C 109.46 -0.571 . . . . 74.4 109.46 177.251 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 44.5 t80 -60.33 -33.29 72.19 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.208 -0.905 . . . . 64.12 110.462 -178.814 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -63.83 -56.5 14.94 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 115.895 -0.593 . . . . 74.12 109.586 179.351 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.522 ' O ' ' HB3' ' A' ' 63' ' ' LYS . 4.1 t -66.85 -28.19 68.15 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-N 116.127 -0.488 . . . . 74.4 109.963 -178.863 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.34 -45.9 82.36 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-N 116.172 -0.467 . . . . 64.15 109.982 176.196 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 75.0 mmm -61.8 -31.2 71.41 Favored 'General case' 0 N--CA 1.461 0.109 0 CA-C-N 115.868 -0.605 . . . . 61.32 110.316 176.488 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.522 ' HB3' ' O ' ' A' ' 60' ' ' SER . 23.4 ttmt -61.65 -51.97 66.29 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.622 -0.51 . . . . 62.32 109.622 174.017 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 45.2 t80 -57.71 -42.84 84.58 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 115.872 -0.604 . . . . 70.35 110.493 178.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 72.4 t -61.8 -50.42 80.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.109 -0.496 . . . . 51.41 110.717 178.155 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.531 ' HA ' ' HG3' ' A' ' 71' ' ' GLN . . . -60.34 -31.01 69.9 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.998 -0.546 . . . . 55.45 110.269 179.741 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -74.5 -27.0 66.34 Favored Glycine 0 N--CA 1.451 -0.326 0 CA-C-N 115.152 -0.931 . . . . 65.01 112.216 -176.533 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -95.24 -21.95 18.12 Favored 'General case' 0 CA--C 1.521 -0.141 0 N-CA-C 109.233 -0.654 . . . . 73.33 109.233 -179.259 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 24.2 m-80 -95.65 4.15 53.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.28 -0.873 . . . . 73.35 111.431 -179.366 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.424 ' N ' ' HD3' ' A' ' 70' ' ' LYS . 21.2 mmtm 58.86 30.64 20.37 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.678 -0.692 . . . . 70.5 110.598 173.302 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.531 ' HG3' ' HA ' ' A' ' 66' ' ' ALA . 2.9 pt20 -116.9 167.65 10.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.665 -0.698 . . . . 65.11 110.005 179.608 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 12.8 p -132.2 126.13 32.81 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.125 -0.489 . . . . 71.13 110.861 -177.116 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.411 ' HA ' ' HD3' ' A' ' 74' ' ' PRO . 0.2 OUTLIER -109.5 140.17 21.85 Favored Pre-proline 0 CA--C 1.535 0.377 0 CA-C-N 115.993 -0.549 . . . . 63.13 110.498 -179.696 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.506 ' HB2' ' HG2' ' A' ' 104' ' ' PRO . 52.6 Cg_exo -58.24 135.72 70.03 Favored 'Trans proline' 0 C--N 1.348 0.519 0 C-N-CA 123.161 2.574 . . . . 75.32 113.125 -178.503 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -77.18 1.29 18.81 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 120.962 0.411 . . . . 74.43 111.77 179.146 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -91.0 7.61 39.47 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.433 0.635 . . . . 72.44 110.42 179.192 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.506 ' HB ' HD12 ' A' ' 103' ' ' LEU . 8.1 t -77.11 159.24 29.94 Favored 'General case' 0 C--O 1.238 0.449 0 CA-C-N 115.59 -0.732 . . . . 73.42 111.742 -177.751 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 32.3 m -153.5 149.33 27.59 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.847 -0.615 . . . . 65.01 110.006 -179.395 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 90.9 t -127.35 133.41 68.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 N-CA-C 109.345 -0.613 . . . . 73.54 109.345 177.539 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.461 ' HB ' ' HB3' ' A' ' 100' ' ' ARG . 19.5 m -109.96 112.64 24.77 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.433 -0.349 . . . . 61.0 110.529 -179.181 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.511 ' HB1' ' HB1' ' A' ' 51' ' ' ALA . . . -93.52 109.2 20.81 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.999 -0.546 . . . . 75.0 109.775 176.023 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.451 ' HB3' ' HB3' ' A' ' 98' ' ' GLU . 31.3 tt0 -106.79 107.74 18.91 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.399 -0.593 . . . . 74.0 109.399 -178.392 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.588 HG23 HG22 ' A' ' 97' ' ' VAL . 10.9 p -109.53 140.31 28.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 120.922 0.392 . . . . 74.25 111.224 -175.163 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.446 ' HA2' ' HA ' ' B' ' 6' ' ' LYS . . . -145.47 170.0 26.9 Favored Glycine 0 N--CA 1.446 -0.654 0 CA-C-N 115.984 -0.553 . . . . 64.22 112.106 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.441 HD11 ' CD2' ' A' ' 93' ' ' PHE . 0.0 OUTLIER -145.94 135.61 17.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 N-CA-C 109.801 -0.444 . . . . 71.32 109.801 -178.044 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -143.99 169.94 26.03 Favored Glycine 0 CA--C 1.52 0.361 0 N-CA-C 111.226 -0.749 . . . . 64.2 111.226 178.145 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.692 ' HD3' ' HG ' ' B' ' 4' ' ' LEU . 58.8 Cg_endo -73.54 134.11 19.97 Favored 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.147 1.898 . . . . 75.13 112.145 -176.807 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 52.4 t-20 -87.18 142.71 27.71 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.384 -0.826 . . . . 63.43 109.636 -178.616 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -60.95 -17.93 54.29 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-O 121.08 0.467 . . . . 74.31 110.719 179.493 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -67.14 -23.78 65.83 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 115.478 -0.783 . . . . 62.35 110.463 176.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.21 32.32 4.35 Favored Glycine 0 N--CA 1.45 -0.4 0 CA-C-N 115.557 -0.747 . . . . 52.42 111.322 -175.54 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -146.18 -128.66 1.97 Allowed Glycine 0 N--CA 1.45 -0.408 0 N-CA-C 111.613 -0.595 . . . . 74.12 111.613 -178.784 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.441 ' CD2' HD11 ' A' ' 85' ' ' ILE . 45.1 m-85 -124.24 154.07 40.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.122 0.487 . . . . 72.25 111.114 -177.754 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -139.23 128.33 23.82 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.43 -0.805 . . . . 73.43 109.12 178.395 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -98.98 140.67 32.78 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 121.067 0.46 . . . . 75.45 111.387 -175.291 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -126.24 112.31 15.59 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.068 -0.969 . . . . 62.1 109.333 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.588 HG22 HG23 ' A' ' 83' ' ' VAL . 46.9 t -121.69 110.9 28.91 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.812 0 CA-C-O 120.893 0.377 . . . . 41.42 110.551 -177.165 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.451 ' HB3' ' HB3' ' A' ' 82' ' ' GLU . 34.7 tt0 -101.53 128.03 47.95 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 116.186 -0.461 . . . . 51.52 110.347 -177.746 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 91.5 mt -111.04 106.89 16.11 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-O 121.042 0.449 . . . . 73.33 110.053 179.296 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.502 ' HA ' HG13 ' A' ' 137' ' ' VAL . 57.5 ttt180 -101.85 107.75 19.03 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.229 -0.896 . . . . 73.43 109.835 -175.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 49.1 t -103.24 101.86 12.81 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.262 0 CA-C-O 120.39 0.138 . . . . 72.23 110.962 -171.547 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -97.46 101.5 13.05 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-O 120.79 0.329 . . . . 73.1 110.753 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.923 HD23 HD22 ' A' ' 106' ' ' LEU . 43.4 tp -113.6 116.28 45.98 Favored Pre-proline 0 C--N 1.329 -0.309 0 N-CA-C 109.059 -0.719 . . . . 73.31 109.059 178.675 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . 0.566 ' HD2' HD12 ' A' ' 103' ' ' LEU . 72.3 Cg_endo -76.24 155.6 37.33 Favored 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 122.517 2.144 . . . . 73.52 112.129 -175.813 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 71.18 15.27 74.47 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.805 -0.712 . . . . 54.45 112.026 -179.288 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.923 HD22 HD23 ' A' ' 103' ' ' LEU . 20.4 tp -121.67 143.72 49.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.995 0.426 . . . . 65.03 110.915 -175.239 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -78.99 147.22 32.99 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.741 -0.663 . . . . 72.42 110.505 173.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.58 ' O ' ' HG3' ' A' ' 112' ' ' LYS . . . -65.74 -42.93 90.38 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.735 0.303 . . . . 74.35 110.378 178.178 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -56.54 -42.3 78.27 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.987 -0.551 . . . . 64.13 110.653 178.13 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.547 ' O ' HG22 ' A' ' 113' ' ' THR . . . -73.07 -40.03 65.39 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.773 -0.649 . . . . 73.25 110.442 178.887 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -55.48 -40.65 71.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.916 -0.584 . . . . 54.13 110.623 179.305 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.58 ' HG3' ' O ' ' A' ' 108' ' ' ALA . 65.3 mttm -51.13 -43.84 61.26 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.547 -0.751 . . . . 74.23 111.002 177.309 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . 0.547 HG22 ' O ' ' A' ' 110' ' ' ALA . 1.1 t -81.41 -33.41 32.24 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.446 -0.343 . . . . 74.22 110.793 -175.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.445 ' HG ' ' O ' ' A' ' 110' ' ' ALA . 41.6 mt -64.85 -48.71 73.32 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.387 -0.369 . . . . 61.01 110.573 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.559 HG21 HG12 ' A' ' 138' ' ' VAL . 94.7 t -64.89 -35.64 75.75 Favored 'Isoleucine or valine' 0 C--O 1.241 0.617 0 CA-C-N 116.234 -0.439 . . . . 72.22 110.126 178.46 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . 0.542 ' O ' ' HB2' ' A' ' 120' ' ' HIS . 12.2 t70 -59.43 -61.28 2.74 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 115.728 -0.669 . . . . 63.5 110.192 177.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . 0.517 ' O ' HG22 ' A' ' 121' ' ' VAL . 10.1 ptm180 -61.52 -35.04 76.58 Favored 'General case' 0 CA--C 1.521 -0.164 0 CA-C-N 116.342 -0.39 . . . . 65.24 110.297 -176.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -56.51 -56.1 25.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.74 -0.663 . . . . 63.41 110.782 178.007 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 95.2 m-70 -76.41 -8.09 56.42 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 120.999 -0.28 . . . . 74.13 111.015 178.213 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . 0.542 ' HB2' ' O ' ' A' ' 116' ' ' ASP . 2.4 t-160 -86.11 -33.05 21.02 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.355 -0.384 . . . . 75.14 110.483 -177.85 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.517 HG22 ' O ' ' A' ' 117' ' ' ARG . 20.1 m -118.65 -11.8 11.0 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.429 0 N-CA-C 112.236 0.458 . . . . 74.54 112.236 -176.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' CYS . . . . . 0.516 ' SG ' HG23 ' A' ' 121' ' ' VAL . 42.9 m -137.56 66.36 50.01 Favored Pre-proline 0 N--CA 1.469 0.52 0 CA-C-O 120.89 0.376 . . . . 72.12 110.826 178.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_endo -102.72 163.97 0.28 Allowed 'Trans proline' 0 N--CA 1.456 -0.714 0 C-N-CA 123.317 2.678 . . . . 74.45 113.598 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -82.95 -168.15 1.95 Allowed 'General case' 0 C--O 1.237 0.403 0 N-CA-C 108.508 -0.923 . . . . 65.44 108.508 166.287 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . 0.596 ' O ' HG22 ' A' ' 128' ' ' THR . 14.0 m -44.64 131.55 6.71 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-O 120.81 0.338 . . . . 62.44 111.075 179.805 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' ASN . . . . . 0.516 ' O ' ' HG2' ' A' ' 129' ' ' ARG . 46.0 m-20 -57.34 -42.3 81.68 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-O 121.524 0.678 . . . . 73.42 109.784 -177.771 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . 0.614 ' O ' ' HB3' ' A' ' 131' ' ' ASN . . . -75.28 6.35 4.53 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.318 -0.855 . . . . 54.1 112.211 -178.85 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . 0.596 HG22 ' O ' ' A' ' 125' ' ' SER . 0.7 OUTLIER -108.44 -6.26 16.26 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 109.403 -0.592 . . . . 73.21 109.403 176.873 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . 0.516 ' HG2' ' O ' ' A' ' 126' ' ' ASN . 10.2 ptt180 -116.38 -42.07 3.06 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 115.918 -0.583 . . . . 72.04 110.649 178.755 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 53.0 m-80 -78.58 -56.51 4.37 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 116.38 -0.373 . . . . 71.52 110.916 176.395 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . 0.614 ' HB3' ' O ' ' A' ' 127' ' ' ALA . 2.9 t-20 -63.32 -43.63 97.25 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 115.946 -0.57 . . . . 72.12 110.533 -178.12 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 41.0 t -88.39 125.92 41.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.594 -0.73 . . . . 70.22 109.189 176.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -68.18 93.32 0.44 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.301 0.572 . . . . 45.42 111.041 -174.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . 0.491 ' HA ' ' O ' ' A' ' 97' ' ' VAL . 59.3 t -98.99 124.35 52.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.458 -0.792 . . . . 75.02 110.766 177.556 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 11.3 tpt180 -95.87 113.43 25.05 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.432 -0.803 . . . . 72.41 109.896 -179.477 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 31.0 mt -89.83 115.95 27.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.861 0.363 . . . . 50.04 111.048 179.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . 0.502 HG13 ' HA ' ' A' ' 100' ' ' ARG . 0.2 OUTLIER -129.38 119.07 47.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 121.374 0.607 . . . . 74.42 110.444 -179.657 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . 0.559 HG12 HG21 ' A' ' 115' ' ' VAL . 3.0 m -95.42 139.01 19.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.751 -0.659 . . . . 53.11 110.269 -179.852 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.318 -0.777 0 CA-C-N 115.966 -0.561 . . . . 73.13 110.858 -176.488 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 26.8 ptm . . . . . 0 C--O 1.234 0.287 0 CA-C-O 121.186 0.517 . . . . 72.42 110.857 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 2' ' ' ASN . . . . . 0.57 ' O ' ' HD2' ' A' ' 87' ' ' PRO . 35.6 t30 -91.31 82.9 5.43 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.452 -0.795 . . . . 61.35 109.85 -179.517 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . 0.529 HG21 ' HB2' ' B' ' 6' ' ' LYS . 27.6 mm -73.52 129.17 36.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 116.087 -0.506 . . . . 72.42 111.537 179.575 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.692 ' HG ' ' HD3' ' A' ' 87' ' ' PRO . 84.2 mt -87.64 -43.28 12.07 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.523 -0.762 . . . . 75.25 109.803 174.042 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 5' ' ' TYR . . . . . . . . . . . . . 33.9 t80 -138.84 128.92 25.34 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 115.966 -0.561 . . . . 75.45 110.575 -177.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . 0.529 ' HB2' HG21 ' B' ' 3' ' ' ILE . 32.3 ttmt -138.61 142.81 39.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.952 0.406 . . . . 65.01 111.111 175.579 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 7.1 t -139.24 143.06 37.84 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.693 -0.685 . . . . 72.52 109.327 176.399 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . 0.429 ' O ' ' HB3' ' B' ' 22' ' ' HIS . . . -105.96 151.78 24.16 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.315 -0.402 . . . . 64.22 110.8 -177.638 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . 0.429 ' HA ' ' H ' ' B' ' 22' ' ' HIS . . . -137.96 123.1 19.21 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.171 -0.468 . . . . 31.45 110.187 177.31 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 5.2 t -99.55 110.82 23.24 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.466 0.65 . . . . 64.31 109.859 -179.235 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 11' ' ' SER . . . . . 0.437 ' HA ' ' HA ' ' B' ' 19' ' ' ALA . 20.9 p -101.87 113.53 26.81 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.881 -0.599 . . . . 74.14 110.41 178.352 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 2.6 m -95.11 155.68 16.63 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.863 -0.608 . . . . 53.42 110.831 -176.703 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -79.48 74.83 2.18 Favored Glycine 0 N--CA 1.448 -0.564 0 C-N-CA 121.005 -0.617 . . . . 71.12 112.413 176.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -66.97 -148.41 0.1 OUTLIER Glycine 0 CA--C 1.525 0.669 0 C-N-CA 121.102 -0.571 . . . . 73.4 112.213 173.679 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . 0.403 HH11 ' HD2' ' B' ' 15' ' ' ARG . 0.5 OUTLIER -56.31 -50.47 71.36 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.962 0.381 . . . . 65.14 110.706 178.515 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 16' ' ' ASP . . . . . 0.56 ' HB3' ' HA ' ' B' ' 31' ' ' SER . 24.8 t70 -125.87 -42.53 1.9 Allowed 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.314 -0.625 . . . . 65.33 109.314 173.711 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -166.14 155.76 27.22 Favored Glycine 0 N--CA 1.444 -0.805 0 C-N-CA 120.185 -1.007 . . . . 74.22 111.787 165.19 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 18' ' ' ARG . . . . . 0.511 ' HA ' ' HA ' ' B' ' 29' ' ' LYS . 39.0 ttp180 -135.86 137.7 41.74 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 108.831 -0.803 . . . . 74.4 108.831 174.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 19' ' ' ALA . . . . . 0.437 ' HA ' ' HA ' ' B' ' 11' ' ' SER . . . -134.15 124.08 25.46 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 123.213 0.32 . . . . 64.21 110.304 -176.063 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 41.3 m -130.84 113.5 14.15 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.4 -0.364 . . . . 75.11 110.41 179.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 21' ' ' SER . . . . . 0.553 ' HB3' ' N ' ' B' ' 26' ' ' LEU . 48.1 t -68.84 107.16 2.95 Favored 'General case' 0 C--O 1.248 0.981 0 N-CA-C 107.523 -1.288 . . . . 74.21 107.523 175.109 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 22' ' ' HIS . . . . . 0.447 ' C ' ' H ' ' B' ' 24' ' ' GLN . 1.8 t-80 -47.84 -35.37 10.14 Favored 'General case' 0 N--CA 1.466 0.375 0 O-C-N 126.099 2.124 . . . . 73.12 112.878 -168.537 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -80.38 25.59 0.4 Allowed 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.299 0.571 . . . . 63.54 110.531 -176.78 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . 0.447 ' H ' ' C ' ' B' ' 22' ' ' HIS . 27.4 mm-40 64.62 24.49 13.0 Favored 'General case' 0 CA--C 1.515 -0.37 0 CA-C-N 114.959 -1.018 . . . . 71.43 110.093 175.165 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.564 ' HE2' ' HA ' ' B' ' 25' ' ' LYS . 9.8 mmpt? -85.47 -26.05 26.53 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 114.872 -1.058 . . . . 41.25 110.186 178.657 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . 0.553 ' N ' ' HB3' ' B' ' 21' ' ' SER . 41.6 tp -158.1 151.42 23.21 Favored 'General case' 0 CA--C 1.506 -0.725 0 C-N-CA 120.058 -0.657 . . . . 71.52 111.834 -179.502 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -161.09 90.77 0.84 Allowed 'General case' 0 N--CA 1.444 -0.726 0 CA-C-N 115.226 -0.897 . . . . 53.33 110.261 179.382 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 8.9 m -143.99 178.19 1.89 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.585 0 CA-C-O 121.326 0.584 . . . . 74.12 112.516 -177.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.511 ' HA ' ' HA ' ' B' ' 18' ' ' ARG . 13.4 ttmt -127.24 144.92 50.94 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 114.698 -1.137 . . . . 64.31 109.703 178.425 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . 0.765 ' HA ' ' H ' ' B' ' 44' ' ' THR . 0.0 OUTLIER -125.95 160.25 30.49 Favored 'General case' 0 C--O 1.255 1.391 0 CA-C-O 121.002 0.43 . . . . 72.32 110.59 175.107 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . 0.56 ' HA ' ' HB3' ' B' ' 16' ' ' ASP . 35.2 m -153.89 122.77 6.37 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 115.228 -0.896 . . . . 62.35 111.368 -175.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.33 133.36 93.2 Favored Pre-proline 0 C--O 1.241 0.628 0 CA-C-N 115.67 -0.696 . . . . 75.13 110.234 174.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 33' ' ' PRO . . . . . . . . . . . . . 10.7 Cg_endo -52.75 132.91 48.53 Favored 'Trans proline' 0 C--N 1.349 0.57 0 C-N-CA 122.735 2.29 . . . . 71.3 111.32 179.656 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 34' ' ' ARG . . . . . 0.452 ' NH1' ' HA2' ' B' ' 37' ' ' GLY . 0.1 OUTLIER -62.62 -13.86 36.48 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 116.429 -0.351 . . . . 71.43 110.38 -176.733 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -48.58 -44.1 36.51 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-O 121.277 0.561 . . . . 72.42 110.837 176.383 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 26.1 mt -99.33 18.48 17.56 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.279 -0.873 . . . . 63.52 110.592 -174.65 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 37' ' ' GLY . . . . . 0.452 ' HA2' ' NH1' ' B' ' 34' ' ' ARG . . . 72.48 33.74 60.89 Favored Glycine 0 N--CA 1.453 -0.216 0 N-CA-C 111.612 -0.595 . . . . 51.22 111.612 -177.214 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -75.24 -77.44 0.7 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 121.046 -0.597 . . . . 64.12 112.598 -176.292 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -166.71 -33.17 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.696 0.284 . . . . 71.25 111.405 -179.086 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 67.88 79.91 0.23 Allowed Glycine 0 C--N 1.334 0.44 0 C-N-CA 121.01 -0.614 . . . . 53.13 112.322 -177.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -148.81 179.2 8.02 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.707 0.289 . . . . 45.11 110.85 -178.721 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -80.11 5.11 15.21 Favored 'General case' 0 N--CA 1.466 0.364 0 N-CA-C 112.424 0.527 . . . . 74.14 112.424 -175.657 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -72.86 179.9 37.34 Favored Glycine 0 CA--C 1.521 0.451 0 C-N-CA 121.001 -0.619 . . . . 72.12 113.064 -177.443 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 44' ' ' THR . . . . . 0.765 ' H ' ' HA ' ' B' ' 30' ' ' LEU . 14.5 p -96.16 154.42 17.26 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 110.254 -0.276 . . . . 35.03 110.254 179.815 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 45' ' ' ASN . . . . . 0.649 ' HB2' ' HB3' ' B' ' 48' ' ' GLN . 1.7 m-20 -73.37 134.2 80.05 Favored Pre-proline 0 CA--C 1.538 0.506 0 N-CA-C 110.156 -0.313 . . . . 71.14 110.156 -177.211 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 46' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -60.39 -57.72 0.67 Allowed 'Trans proline' 0 C--N 1.355 0.888 0 C-N-CA 123.49 2.793 . . . . 54.41 113.663 -177.311 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 47' ' ' GLU . . . . . 0.541 ' OE1' ' HB3' ' B' ' 45' ' ' ASN . 0.0 OUTLIER -59.57 -35.31 74.02 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-O 121.071 0.462 . . . . 73.03 109.798 178.646 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . 0.649 ' HB3' ' HB2' ' B' ' 45' ' ' ASN . 0.8 OUTLIER -62.95 -38.45 91.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.651 -0.704 . . . . 65.22 110.118 173.354 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -62.82 -46.76 86.45 Favored 'General case' 0 C--O 1.235 0.31 0 N-CA-C 109.46 -0.57 . . . . 73.15 109.46 -178.363 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 27.9 t80 -62.3 -43.34 99.06 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 116.357 -0.383 . . . . 74.53 110.335 175.115 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.16 -45.03 79.84 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.11 -0.495 . . . . 63.22 110.989 177.301 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.54 -44.82 85.65 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.977 -0.556 . . . . 74.31 110.889 179.657 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . 0.482 ' HA3' HD12 ' A' ' 49' ' ' LEU . . . -61.06 -42.54 99.83 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.975 -0.631 . . . . 73.22 111.79 178.416 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 54' ' ' TYR . . . . . 0.551 ' HA ' ' SG ' ' B' ' 57' ' ' CYS . 0.8 OUTLIER -66.84 -52.2 46.54 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-O 120.841 0.353 . . . . 73.14 110.116 179.411 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 28.4 p -58.96 -37.97 78.01 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.488 -0.324 . . . . 71.55 110.736 -178.089 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 56' ' ' ALA . . . . . 0.535 ' HB1' HD21 ' A' ' 30' ' ' LEU . . . -73.08 -49.34 29.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.329 -0.396 . . . . 72.32 111.517 -179.343 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 57' ' ' CYS . . . . . 0.551 ' SG ' ' HA ' ' B' ' 54' ' ' TYR . 31.7 p -60.01 -36.26 76.84 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 116.376 -0.374 . . . . 72.4 110.357 -177.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 55.0 t80 -51.64 -34.1 36.41 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 115.839 -0.619 . . . . 52.32 111.122 -179.284 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -66.57 -48.93 68.06 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 120.694 0.283 . . . . 64.41 110.763 178.673 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 7.4 m -64.33 -44.37 91.76 Favored 'General case' 0 C--O 1.243 0.717 0 CA-C-O 121.548 0.689 . . . . 73.23 110.212 -179.655 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . 0.404 ' O ' HG23 ' B' ' 65' ' ' VAL . . . -59.37 -40.86 87.84 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.379 -0.828 . . . . 44.1 110.015 177.5 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 62' ' ' MET . . . . . 0.507 ' HG3' HD23 ' B' ' 73' ' ' LEU . 15.5 tpt -66.18 -32.76 74.4 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-N 115.895 -0.593 . . . . 71.0 110.318 179.02 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . 0.54 ' HA ' HD21 ' B' ' 73' ' ' LEU . 57.8 mttp -62.0 -48.08 81.93 Favored 'General case' 0 C--O 1.233 0.22 0 N-CA-C 109.631 -0.507 . . . . 72.03 109.631 174.583 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 58.9 t80 -56.52 -42.41 78.36 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 115.959 -0.564 . . . . 73.11 110.056 176.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . 0.404 HG23 ' O ' ' B' ' 61' ' ' ALA . 66.8 t -57.44 -51.55 68.28 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.145 0 CA-C-N 116.014 -0.539 . . . . 75.05 110.312 176.776 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 66' ' ' ALA . . . . . 0.474 ' HA ' ' HG3' ' B' ' 71' ' ' GLN . . . -57.77 -30.36 65.58 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.087 0.47 . . . . 74.13 110.477 179.078 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -70.68 -30.64 68.32 Favored Glycine 0 N--CA 1.45 -0.393 0 CA-C-N 115.447 -0.797 . . . . 75.04 112.46 -178.09 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -96.33 -17.63 20.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.489 0.662 . . . . 64.5 109.388 -178.723 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 69' ' ' ASN . . . . . 0.412 ' CB ' ' HG2' ' B' ' 71' ' ' GLN . 31.6 m-80 -97.96 -4.78 35.6 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.337 -0.847 . . . . 65.21 111.377 179.594 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 10.7 mptt 56.67 30.91 18.33 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-O 121.349 0.595 . . . . 73.12 111.147 177.198 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . 0.474 ' HG3' ' HA ' ' B' ' 66' ' ' ALA . 0.9 OUTLIER -111.82 168.83 9.26 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.519 -0.764 . . . . 74.24 110.589 -178.007 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 20.7 p -115.2 133.55 55.94 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.793 -0.64 . . . . 74.12 110.807 -179.199 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . 0.54 HD21 ' HA ' ' B' ' 63' ' ' LYS . 0.2 OUTLIER -109.44 149.66 40.1 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 75.15 110.996 179.362 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 74' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -79.43 127.58 7.44 Favored 'Trans proline' 0 CA--C 1.532 0.425 0 C-N-CA 122.766 2.311 . . . . 62.01 112.141 176.058 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -76.9 -6.82 54.0 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 121.235 0.541 . . . . 71.53 110.716 177.39 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -81.74 3.99 23.61 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 115.601 -0.727 . . . . 60.22 110.862 -179.027 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 77' ' ' THR . . . . . . . . . . . . . 8.8 t -81.67 167.76 18.83 Favored 'General case' 0 C--O 1.238 0.47 0 CA-C-N 115.876 -0.602 . . . . 73.25 111.998 -174.446 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 78' ' ' THR . . . . . 0.64 HG22 ' HA ' ' A' ' 12' ' ' THR . 0.9 OUTLIER -152.06 149.33 28.71 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 115.178 -0.919 . . . . 71.23 110.154 -179.611 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 75.0 t -133.64 112.65 17.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 121.277 0.561 . . . . 54.24 109.814 176.328 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 80' ' ' THR . . . . . 0.472 ' HA ' ' HA ' ' A' ' 10' ' ' THR . 27.0 m -102.45 110.58 22.57 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 115.898 -0.592 . . . . 72.42 110.5 -177.635 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -92.9 104.62 16.84 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.988 -0.551 . . . . 73.43 109.774 -179.765 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 82' ' ' GLU . . . . . 0.484 ' HA ' ' HA ' ' A' ' 8' ' ' ALA . 28.3 tt0 -104.18 107.64 18.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 71.23 109.869 -178.323 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . 0.45 HG12 HG22 ' B' ' 97' ' ' VAL . 29.9 m -103.35 146.25 11.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.98 -0.554 . . . . 71.44 110.894 -175.658 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 84' ' ' GLY . . . . . 0.43 ' HA2' ' HA ' ' A' ' 6' ' ' LYS . . . -134.77 159.97 24.1 Favored Glycine 0 N--CA 1.441 -0.986 0 N-CA-C 111.359 -0.696 . . . . 52.45 111.359 176.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -140.88 130.09 25.32 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.82 0 N-CA-C 109.271 -0.64 . . . . 73.1 109.271 -178.361 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 86' ' ' GLY . . . . . 0.718 ' HA2' ' HG ' ' A' ' 4' ' ' LEU . . . -148.0 169.81 28.7 Favored Glycine 0 N--CA 1.45 -0.385 0 O-C-N 124.343 1.027 . . . . 52.3 110.947 -178.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 87' ' ' PRO . . . . . 0.575 ' HD3' ' HG ' ' A' ' 4' ' ' LEU . 1.1 Cg_endo -81.65 123.15 4.16 Favored 'Trans proline' 0 N--CA 1.455 -0.784 0 C-N-CA 122.81 2.34 . . . . 61.3 111.608 -178.04 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 88' ' ' ASN . . . . . . . . . . . . . 50.4 t-20 -71.95 135.7 46.55 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 108.81 -0.811 . . . . 72.3 108.81 176.068 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -60.54 -16.74 40.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 123.268 0.355 . . . . 65.22 111.234 -178.065 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -67.33 -17.76 64.89 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-O 121.353 0.597 . . . . 74.05 110.62 176.332 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.59 35.26 3.34 Favored Glycine 0 N--CA 1.453 -0.21 0 CA-C-N 115.792 -0.64 . . . . 72.2 112.252 -179.398 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . -144.7 -154.42 6.13 Favored Glycine 0 N--CA 1.452 -0.256 0 N-CA-C 111.356 -0.698 . . . . 70.13 111.356 177.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 93' ' ' PHE . . . . . . . . . . . . . 65.4 m-85 -106.2 165.72 11.03 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.966 0.383 . . . . 73.12 110.191 176.052 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 94' ' ' ALA . . . . . 0.402 ' HB3' ' HE1' ' A' ' 1' ' ' MET . . . -149.29 133.21 17.07 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.178 -0.465 . . . . 62.21 110.041 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -101.72 121.14 41.5 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.997 -0.547 . . . . 74.21 110.124 179.208 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 96' ' ' ASP . . . . . 0.491 ' HB3' HD11 ' A' ' 3' ' ' ILE . 34.2 t70 -111.06 110.1 20.49 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.491 -0.777 . . . . 73.53 109.009 178.537 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 97' ' ' VAL . . . . . 0.884 ' HB ' HG22 ' B' ' 134' ' ' VAL . 61.0 t -111.08 110.89 33.87 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.779 0 C-N-CA 120.874 -0.33 . . . . 65.34 111.414 -173.825 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 98' ' ' GLU . . . . . 0.477 ' HG2' ' HB3' ' B' ' 135' ' ' ARG . 44.4 mt-10 -93.18 105.15 17.27 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.275 -0.639 . . . . 74.42 109.275 173.664 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 20.9 tp -93.73 109.2 20.87 Favored 'General case' 0 C--O 1.239 0.546 0 N-CA-C 109.377 -0.601 . . . . 61.12 109.377 -177.627 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 100' ' ' ARG . . . . . 0.551 ' HA ' ' O ' ' B' ' 137' ' ' VAL . 22.9 ttt180 -99.55 128.83 45.67 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.209 -0.905 . . . . 64.11 110.328 -173.04 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 101' ' ' VAL . . . . . . . . . . . . . 88.9 t -121.42 108.35 22.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.284 -0.417 . . . . 60.12 111.234 -174.567 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -99.35 101.34 12.59 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.635 -0.506 . . . . 53.32 109.635 175.131 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 103' ' ' LEU . . . . . 0.55 HD12 ' HD2' ' B' ' 104' ' ' PRO . 19.5 tp -121.41 109.0 35.15 Favored Pre-proline 0 CA--C 1.533 0.301 0 N-CA-C 109.719 -0.475 . . . . 72.24 109.719 -175.389 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 104' ' ' PRO . . . . . 0.55 ' HD2' HD12 ' B' ' 103' ' ' LEU . 81.3 Cg_endo -74.94 156.57 43.26 Favored 'Trans proline' 0 C--N 1.348 0.511 0 C-N-CA 123.037 2.492 . . . . 74.24 112.583 -173.412 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 105' ' ' GLY . . . . . . . . . . . . . . . 72.89 15.13 78.28 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.845 -0.693 . . . . 72.34 111.982 -179.615 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 106' ' ' LEU . . . . . 0.504 ' CD2' HD23 ' B' ' 103' ' ' LEU . 20.2 tp -138.12 139.58 39.51 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 122.737 0.415 . . . . 60.53 110.818 -175.572 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -73.18 143.41 47.22 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-N 115.9 -0.591 . . . . 63.12 110.166 175.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -64.4 -39.46 93.9 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.021 0.438 . . . . 34.32 110.589 177.201 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -56.77 -45.88 81.82 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.969 -0.559 . . . . 64.51 110.636 179.203 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 110' ' ' ALA . . . . . 0.594 ' O ' HG22 ' B' ' 113' ' ' THR . . . -74.09 -38.54 63.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.968 -0.56 . . . . 72.03 110.045 178.342 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -56.78 -34.61 67.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.759 -0.655 . . . . 64.14 111.088 -179.265 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 112' ' ' LYS . . . . . . . . . . . . . 55.9 mttp -54.17 -49.33 69.53 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 116.446 -0.343 . . . . 74.45 110.874 176.767 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 113' ' ' THR . . . . . 0.594 HG22 ' O ' ' B' ' 110' ' ' ALA . 2.6 t -74.58 -36.3 63.04 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-O 120.854 0.359 . . . . 72.03 110.527 -176.749 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 114' ' ' LEU . . . . . 0.461 ' HG ' ' O ' ' B' ' 110' ' ' ALA . 46.0 mt -64.25 -50.06 69.44 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 115.999 -0.546 . . . . 70.23 110.786 -178.815 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 115' ' ' VAL . . . . . . . . . . . . . 96.8 t -62.36 -37.39 78.56 Favored 'Isoleucine or valine' 0 C--O 1.24 0.59 0 CA-C-O 121.088 0.471 . . . . 63.55 109.87 178.478 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -59.85 -59.64 5.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.418 -0.81 . . . . 75.43 110.838 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 117' ' ' ARG . . . . . . . . . . . . . 14.2 ptm180 -64.15 -34.09 77.27 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 121.132 0.491 . . . . 70.2 110.198 -177.114 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -58.66 -38.98 79.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.614 -0.721 . . . . 61.11 109.695 174.373 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 119' ' ' HIS . . . . . 0.63 ' HA ' ' HB3' ' B' ' 125' ' ' SER . 15.3 m80 -71.24 6.55 1.65 Allowed 'General case' 0 CA--C 1.533 0.298 0 N-CA-C 112.732 0.642 . . . . 74.31 112.732 177.366 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 19.3 t-80 -108.45 -38.25 5.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.603 0.239 . . . . 61.52 110.965 173.639 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 33.2 m -76.87 -30.45 18.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 N-CA-C 112.412 0.523 . . . . 63.42 112.412 -172.293 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 122' ' ' CYS . . . . . 0.401 ' HA ' ' HD3' ' B' ' 123' ' ' PRO . 23.2 p -106.38 141.69 23.31 Favored Pre-proline 0 C--O 1.237 0.424 0 CA-C-O 120.609 0.242 . . . . 74.53 111.597 -174.865 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 123' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' B' ' 122' ' ' CYS . 32.5 Cg_exo -58.8 169.05 3.65 Favored 'Trans proline' 0 C--N 1.354 0.83 0 C-N-CA 122.961 2.441 . . . . 65.25 111.368 174.034 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 124' ' ' TYR . . . . . . . . . . . . . 43.7 m-85 69.1 -62.55 0.4 Allowed 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 123.068 0.547 . . . . 65.35 109.527 -172.843 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 125' ' ' SER . . . . . 0.63 ' HB3' ' HA ' ' B' ' 119' ' ' HIS . 45.3 m -55.94 -40.94 73.9 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 115.806 -0.634 . . . . 64.23 111.55 177.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 126' ' ' ASN . . . . . . . . . . . . . 28.9 p-10 -61.92 -41.76 98.3 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.096 0.474 . . . . 74.24 110.016 177.513 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 127' ' ' ALA . . . . . 0.607 ' O ' ' HB3' ' B' ' 131' ' ' ASN . . . -83.69 1.54 42.08 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.426 -0.806 . . . . 65.3 111.759 -177.061 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 128' ' ' THR . . . . . 0.552 ' OG1' HG21 ' B' ' 134' ' ' VAL . 0.6 OUTLIER -105.81 -10.83 16.5 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 120.597 -0.441 . . . . 55.14 110.252 -173.136 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 129' ' ' ARG . . . . . 0.539 ' HD2' ' HB3' ' B' ' 119' ' ' HIS . 15.6 ptm180 -109.02 -51.47 2.88 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 116.688 -0.233 . . . . 75.21 110.5 -174.329 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 130' ' ' ASN . . . . . 0.442 ' ND2' ' HG3' ' B' ' 129' ' ' ARG . 0.2 OUTLIER -78.77 -52.89 7.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.984 0.421 . . . . 74.14 110.962 175.969 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 131' ' ' ASN . . . . . 0.607 ' HB3' ' O ' ' B' ' 127' ' ' ALA . 0.2 OUTLIER -66.94 -43.95 81.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.747 -0.661 . . . . 75.43 110.978 -175.653 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 132' ' ' VAL . . . . . 0.474 HG23 ' O ' ' B' ' 127' ' ' ALA . 23.4 t -119.88 160.3 20.32 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.317 0 CA-C-N 116.24 -0.436 . . . . 52.13 111.209 -169.46 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 133' ' ' ALA . . . . . 0.406 ' N ' HG12 ' B' ' 132' ' ' VAL . . . -89.52 95.87 10.46 Favored 'General case' 0 C--O 1.244 0.776 0 CA-C-O 121.744 0.783 . . . . 72.23 111.12 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 134' ' ' VAL . . . . . 0.884 HG22 ' HB ' ' B' ' 97' ' ' VAL . 71.0 t -125.94 109.3 21.18 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.448 0 CA-C-N 115.038 -0.983 . . . . 61.1 110.867 -179.344 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 135' ' ' ARG . . . . . 0.477 ' HB3' ' HG2' ' B' ' 98' ' ' GLU . 27.2 tpt180 -70.96 110.94 5.97 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.549 -0.75 . . . . 74.32 109.575 175.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 136' ' ' LEU . . . . . 0.41 HD23 ' HA ' ' B' ' 136' ' ' LEU . 44.1 mt -79.87 107.45 12.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.178 -0.465 . . . . 72.41 110.325 177.626 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 137' ' ' VAL . . . . . 0.551 ' O ' ' HA ' ' B' ' 100' ' ' ARG . 0.3 OUTLIER -118.07 112.2 37.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.416 -0.811 . . . . 72.22 110.142 -178.118 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 138' ' ' VAL . . . . . . . . . . . . . 3.2 m -103.0 138.11 28.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.766 -0.652 . . . . 70.52 109.643 -178.236 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 139' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.301 0 CA-C-N 115.367 -0.833 . . . . 71.35 111.666 -171.489 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.5 ptm . . . . . 0 N--CA 1.486 1.335 0 N-CA-C 109.835 -0.432 . . . . 71.43 109.835 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 55.0 t30 -98.05 85.19 3.43 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.211 0.529 . . . . 75.52 109.887 -179.497 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.55 HG21 ' HB2' ' A' ' 6' ' ' LYS . 33.3 mm -70.09 126.06 29.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.572 -0.74 . . . . 51.02 111.717 -179.105 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.662 ' HG ' ' HD3' ' B' ' 87' ' ' PRO . 87.2 mt -81.27 -42.29 20.87 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.599 -0.728 . . . . 74.21 109.833 175.674 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 48.7 t80 -142.19 132.11 24.39 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 116.052 -0.522 . . . . 54.43 110.553 -178.476 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.55 ' HB2' HG21 ' A' ' 3' ' ' ILE . 27.6 ttmt -137.6 144.45 41.99 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.892 0.377 . . . . 62.42 110.159 176.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.644 HG21 HD21 ' B' ' 45' ' ' ASN . 10.9 t -142.84 143.53 32.15 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.662 -0.699 . . . . 73.02 109.995 -177.761 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.52 ' HA ' ' HA ' ' B' ' 82' ' ' GLU . . . -111.6 136.42 50.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 64.34 110.723 -177.278 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.54 ' HA ' ' HA ' ' A' ' 21' ' ' SER . . . -130.14 117.05 19.34 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.075 -0.512 . . . . 65.14 109.705 175.409 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.538 ' HA ' ' HA ' ' B' ' 80' ' ' THR . 6.5 t -95.38 129.58 42.48 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.053 0.454 . . . . 73.43 109.839 -177.612 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.405 ' HA ' ' O ' ' A' ' 18' ' ' ARG . 83.6 p -114.26 113.56 24.78 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.955 -0.566 . . . . 71.32 109.882 -179.639 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 5.0 m -107.07 160.17 15.75 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 116.202 -0.454 . . . . 72.12 110.858 -175.566 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -81.4 75.57 2.29 Favored Glycine 0 N--CA 1.446 -0.649 0 C-N-CA 120.661 -0.78 . . . . 62.44 111.954 175.082 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -59.82 -105.43 0.01 OUTLIER Glycine 0 C--N 1.342 0.878 0 C-N-CA 121.114 -0.565 . . . . 62.02 112.633 175.292 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 27.2 mmm180 -88.95 -48.68 7.27 Favored 'General case' 0 N--CA 1.465 0.295 0 O-C-N 122.356 -0.496 . . . . 73.04 110.333 175.355 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -125.65 -42.76 1.91 Allowed 'General case' 0 C--O 1.236 0.353 0 N-CA-C 108.906 -0.776 . . . . 74.22 108.906 170.059 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -161.84 161.47 33.33 Favored Glycine 0 N--CA 1.444 -0.801 0 N-CA-C 111.025 -0.83 . . . . 73.12 111.025 166.568 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.497 ' HA ' ' HA ' ' A' ' 29' ' ' LYS . 55.5 ttp180 -141.66 144.41 34.12 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 109.774 -0.454 . . . . 73.24 109.774 177.463 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.609 ' HB1' ' HB1' ' B' ' 52' ' ' ALA . . . -130.49 123.87 30.68 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.545 -0.539 . . . . 71.12 109.545 178.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.436 HG23 ' HB2' ' A' ' 27' ' ' ASP . 24.5 m -137.5 111.35 8.24 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.185 -0.461 . . . . 63.53 110.701 -175.457 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.54 ' HA ' ' HA ' ' A' ' 9' ' ' ALA . 46.1 t -72.3 109.03 5.75 Favored 'General case' 0 C--O 1.244 0.792 0 N-CA-C 107.64 -1.244 . . . . 62.3 107.64 175.717 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.401 ' C ' ' H ' ' A' ' 24' ' ' GLN . 85.0 t60 -54.1 -20.18 6.16 Favored 'General case' 0 N--CA 1.467 0.412 0 O-C-N 125.94 2.025 . . . . 71.44 112.636 -169.036 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.536 ' HB2' ' HE2' ' A' ' 25' ' ' LYS . 4.5 m-20 -80.28 16.08 1.39 Allowed 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.784 -0.45 . . . . 73.43 109.784 177.798 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.401 ' H ' ' C ' ' A' ' 22' ' ' HIS . 32.5 mm-40 64.86 16.01 10.22 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 115.395 -0.821 . . . . 72.53 110.321 -179.252 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.536 ' HE2' ' HB2' ' A' ' 23' ' ' ASP . 55.8 mtmt -84.33 -18.66 35.55 Favored 'General case' 0 N--CA 1.451 -0.425 0 CA-C-N 115.639 -0.71 . . . . 73.44 110.605 -179.488 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.54 ' N ' ' HB3' ' A' ' 21' ' ' SER . 55.7 tp -150.13 145.29 26.23 Favored 'General case' 0 C--N 1.342 0.258 0 C-N-CA 120.181 -0.608 . . . . 74.42 111.113 175.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.436 ' HB2' HG23 ' A' ' 20' ' ' THR . 18.7 t70 -162.85 95.39 0.88 Allowed 'General case' 0 C--O 1.233 0.232 0 O-C-N 123.636 0.585 . . . . 74.13 110.152 174.417 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.493 ' O ' ' HG3' ' A' ' 18' ' ' ARG . 3.4 m -145.35 176.59 1.96 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.504 0 CA-C-N 116.035 -0.529 . . . . 62.12 111.018 178.077 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.497 ' HA ' ' HA ' ' A' ' 18' ' ' ARG . 0.8 OUTLIER -125.86 144.16 50.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.809 -0.632 . . . . 62.42 110.314 -177.876 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.878 ' HA ' ' H ' ' A' ' 44' ' ' THR . 0.0 OUTLIER -128.55 167.65 16.82 Favored 'General case' 0 C--O 1.252 1.189 0 CA-C-O 121.065 0.459 . . . . 64.12 110.777 177.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.427 ' OG ' ' HB3' ' A' ' 41' ' ' ALA . 34.7 m -149.62 137.98 20.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.253 -0.885 . . . . 75.34 110.82 -175.406 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -76.1 131.31 75.91 Favored Pre-proline 0 C--O 1.24 0.588 0 CA-C-N 116.052 -0.522 . . . . 52.21 110.468 176.637 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.465 ' HG3' ' ND2' ' A' ' 45' ' ' ASN . 54.3 Cg_exo -52.14 119.58 5.99 Favored 'Trans proline' 0 C--N 1.35 0.646 0 C-N-CA 122.885 2.39 . . . . 73.33 111.835 178.752 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.593 ' HB2' ' N ' ' A' ' 40' ' ' GLY . 39.4 ttt85 -67.71 -16.0 63.92 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.821 0.343 . . . . 50.12 110.604 -176.2 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 51.2 mm-40 -49.73 -34.7 19.72 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 115.677 -0.692 . . . . 75.14 110.54 173.587 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 26.8 mt -101.05 11.68 39.11 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.176 -0.92 . . . . 63.44 110.816 -172.411 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 90.61 55.67 1.88 Allowed Glycine 0 C--N 1.332 0.328 0 CA-C-N 115.907 -0.588 . . . . 72.22 112.626 178.523 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.485 ' H ' ' HA ' ' A' ' 34' ' ' ARG . . . -133.34 -136.97 3.8 Favored Glycine 0 N--CA 1.452 -0.258 0 N-CA-C 111.884 -0.486 . . . . 73.44 111.884 -178.766 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -105.25 -29.74 10.12 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 111.626 0.232 . . . . 63.22 111.626 -175.613 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.593 ' N ' ' HB2' ' A' ' 34' ' ' ARG . . . 53.06 39.66 57.72 Favored Glycine 0 CA--C 1.521 0.418 0 C-N-CA 121.32 -0.466 . . . . 45.53 113.198 -175.517 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.427 ' HB3' ' OG ' ' A' ' 31' ' ' SER . . . -78.52 163.15 25.8 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 110.152 -0.314 . . . . 44.21 110.152 178.12 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -75.22 67.98 1.91 Allowed 'General case' 0 C--O 1.234 0.266 0 CA-C-O 121.444 0.64 . . . . 71.23 111.096 -178.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -125.62 -165.71 12.13 Favored Glycine 0 N--CA 1.448 -0.511 0 CA-C-N 115.753 -0.658 . . . . 55.55 112.186 179.366 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.878 ' H ' ' HA ' ' A' ' 30' ' ' LEU . 40.1 m -91.83 146.06 24.06 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.989 -0.375 . . . . 74.01 109.989 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.554 ' HB2' ' HB3' ' A' ' 48' ' ' GLN . 12.7 m120 -77.83 117.85 68.41 Favored Pre-proline 0 C--N 1.328 -0.336 0 N-CA-C 109.951 -0.389 . . . . 72.33 109.951 176.178 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 86.6 Cg_exo -47.17 -42.93 26.4 Favored 'Trans proline' 0 C--N 1.348 0.542 0 C-N-CA 122.516 2.144 . . . . 63.04 111.823 174.464 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.467 ' CD ' ' H ' ' A' ' 47' ' ' GLU . 1.9 mp0 -59.41 -50.44 73.94 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 115.599 -0.728 . . . . 62.13 109.523 178.334 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.554 ' HB3' ' HB2' ' A' ' 45' ' ' ASN . 0.9 OUTLIER -63.4 -34.31 77.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 114.989 -1.005 . . . . 72.35 110.967 -178.037 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.601 HD12 ' HA3' ' B' ' 53' ' ' GLY . 2.8 tm? -67.67 -52.76 34.22 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.528 -0.545 . . . . 71.11 109.528 -178.531 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 53.6 t80 -59.81 -45.69 91.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.027 -0.533 . . . . 64.45 110.611 178.01 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.418 ' HB2' HG11 ' A' ' 83' ' ' VAL . . . -51.7 -53.05 43.33 Favored 'General case' 0 C--O 1.238 0.474 0 CA-C-N 115.964 -0.562 . . . . 52.03 111.316 176.476 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.47 ' HB1' ' HB1' ' B' ' 19' ' ' ALA . . . -59.82 -48.13 82.94 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.576 -0.738 . . . . 51.43 111.174 -179.04 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.405 ' HA3' HD12 ' B' ' 49' ' ' LEU . . . -65.63 -38.05 94.21 Favored Glycine 0 CA--C 1.518 0.241 0 C-N-CA 121.061 -0.59 . . . . 45.35 112.708 -178.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.588 ' HA ' ' SG ' ' A' ' 57' ' ' CYS . 1.7 t80 -66.59 -45.01 80.61 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.215 0.531 . . . . 71.4 110.253 -178.795 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.678 ' OG ' ' HB2' ' A' ' 81' ' ' ALA . 24.0 m -68.52 -47.78 66.06 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.211 -0.449 . . . . 50.31 109.918 178.405 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.427 ' HB2' ' HB2' ' B' ' 19' ' ' ALA . . . -56.52 -38.53 71.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.986 -0.552 . . . . 72.41 110.81 179.458 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.588 ' SG ' ' HA ' ' A' ' 54' ' ' TYR . 29.7 p -73.59 -35.87 65.47 Favored 'General case' 0 N--CA 1.453 -0.317 0 N-CA-C 109.808 -0.442 . . . . 74.4 109.808 177.644 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 12.0 t80 -60.0 -35.57 75.33 Favored 'General case' 0 CA--C 1.533 0.32 0 N-CA-C 110.022 -0.362 . . . . 64.12 110.022 -179.435 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -62.26 -59.0 5.65 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 116.292 -0.413 . . . . 74.12 110.556 175.163 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.515 ' HA ' ' HD3' ' A' ' 63' ' ' LYS . 18.0 t -60.05 -32.97 71.43 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-O 121.007 0.432 . . . . 74.4 110.362 -178.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.427 ' O ' HG23 ' A' ' 65' ' ' VAL . . . -65.29 -44.72 87.05 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.03 -0.532 . . . . 64.15 109.905 177.475 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.45 -33.33 74.62 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.973 -0.558 . . . . 61.32 110.498 176.527 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.515 ' HD3' ' HA ' ' A' ' 60' ' ' SER . 9.3 mtpm? -66.09 -48.19 71.77 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.23 -0.441 . . . . 62.32 110.266 177.393 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 57.2 t80 -62.93 -45.88 90.39 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 116.146 -0.479 . . . . 70.35 110.289 177.806 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.427 HG23 ' O ' ' A' ' 61' ' ' ALA . 47.1 t -56.63 -50.74 72.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.887 -0.597 . . . . 51.41 110.34 177.17 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -57.37 -34.43 68.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.159 0.504 . . . . 55.45 110.167 179.075 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -67.23 -33.92 84.22 Favored Glycine 0 N--CA 1.448 -0.562 0 CA-C-N 115.093 -0.958 . . . . 65.01 111.951 -177.687 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.405 ' HG3' HD22 ' A' ' 69' ' ' ASN . 12.1 pt20 -96.28 -11.64 25.66 Favored 'General case' 0 C--O 1.224 -0.268 0 N-CA-C 109.473 -0.565 . . . . 73.33 109.473 -179.012 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.405 HD22 ' HG3' ' A' ' 68' ' ' GLN . 0.9 OUTLIER -96.26 0.15 50.52 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.686 -0.688 . . . . 73.35 111.053 178.896 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 22.9 mmtm 61.13 31.5 19.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.371 -0.831 . . . . 70.5 110.619 174.311 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -122.97 167.69 13.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.485 . . . . 65.11 110.704 -178.181 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 36.3 p -119.69 142.28 48.63 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.793 -0.64 . . . . 71.13 110.292 178.171 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 98.1 mt -109.28 143.91 28.68 Favored Pre-proline 0 C--N 1.326 -0.439 0 CA-C-N 116.282 -0.417 . . . . 63.13 110.375 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.509 ' O ' HG22 ' A' ' 77' ' ' THR . 43.5 Cg_exo -58.56 134.76 63.07 Favored 'Trans proline' 0 C--N 1.348 0.505 0 C-N-CA 123.027 2.484 . . . . 75.32 112.092 178.593 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -77.19 -1.93 31.96 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.692 0.627 . . . . 74.43 112.692 -176.57 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -106.54 8.02 31.12 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-O 121.216 0.532 . . . . 72.44 111.133 -177.785 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.509 HG22 ' O ' ' A' ' 74' ' ' PRO . 9.9 t -74.76 153.76 38.65 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-O 121.259 0.552 . . . . 73.42 111.454 -176.689 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 26.9 m -151.96 150.59 30.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.823 -0.626 . . . . 65.01 110.306 -177.16 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 82.0 t -125.94 128.16 71.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 N-CA-C 109.887 -0.412 . . . . 73.54 109.887 176.191 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 87.0 m -112.6 117.17 31.55 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 110.205 -0.295 . . . . 61.0 110.205 177.002 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.678 ' HB2' ' OG ' ' A' ' 55' ' ' SER . . . -93.22 117.21 29.81 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.173 -0.467 . . . . 75.0 109.984 178.037 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.6 ' HG2' ' HD3' ' B' ' 6' ' ' LYS . 30.9 tt0 -112.71 107.34 15.97 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 107.76 -1.2 . . . . 74.0 107.76 178.139 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.418 HG11 ' HB2' ' A' ' 51' ' ' ALA . 14.4 m -109.8 139.27 33.67 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-N 116.095 -0.502 . . . . 74.25 111.186 -171.679 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.425 ' HA2' ' HA ' ' B' ' 6' ' ' LYS . . . -138.32 161.8 25.68 Favored Glycine 0 N--CA 1.437 -1.3 0 CA-C-N 115.526 -0.761 . . . . 64.22 111.663 179.286 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -134.13 129.88 54.25 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.914 0 N-CA-C 108.832 -0.803 . . . . 71.32 108.832 178.037 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . 0.408 ' HA2' ' HG ' ' B' ' 4' ' ' LEU . . . -144.59 169.65 26.44 Favored Glycine 0 N--CA 1.453 -0.178 0 CA-C-N 115.495 -0.775 . . . . 64.2 111.366 179.7 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.701 ' HD3' ' HG ' ' B' ' 4' ' ' LEU . 61.8 Cg_endo -90.31 138.36 2.72 Favored 'Trans proline' 0 N--CA 1.452 -0.97 0 C-N-CA 122.827 2.351 . . . . 75.13 112.342 -178.648 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -94.74 147.87 22.87 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.789 -0.641 . . . . 63.43 109.569 178.205 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -63.37 -15.04 56.29 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.0 0.37 . . . . 74.31 112.0 -177.05 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -70.14 -21.46 63.08 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-O 121.034 0.445 . . . . 62.35 110.721 175.197 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.35 35.42 3.36 Favored Glycine 0 CA--C 1.518 0.257 0 CA-C-N 116.124 -0.489 . . . . 52.42 112.966 178.308 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -141.06 -172.62 13.15 Favored Glycine 0 C--N 1.33 0.217 0 N-CA-C 111.173 -0.771 . . . . 74.12 111.173 176.853 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 29.4 m-85 -97.9 155.85 16.88 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 117.25 0.525 . . . . 72.25 110.243 176.543 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.446 ' HB3' ' HE1' ' B' ' 1' ' ' MET . . . -139.48 127.47 22.27 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.003 -0.544 . . . . 73.43 109.876 -177.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -97.27 125.33 41.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.995 -0.548 . . . . 75.45 110.418 -179.601 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -110.11 113.1 25.53 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.097 -0.956 . . . . 62.1 109.613 178.606 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 60.4 t -107.79 110.58 32.42 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.107 0 N-CA-C 109.542 -0.54 . . . . 41.42 109.542 177.619 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -98.7 102.28 13.96 Favored 'General case' 0 C--N 1.315 -0.899 0 N-CA-C 109.506 -0.553 . . . . 51.52 109.506 -177.775 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.435 ' HB2' HD23 ' A' ' 136' ' ' LEU . 88.9 mt -93.81 107.83 19.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.268 -0.423 . . . . 73.33 110.063 -177.696 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.552 ' HA ' ' O ' ' A' ' 137' ' ' VAL . 98.1 mtt180 -99.2 118.23 35.44 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.887 -0.597 . . . . 73.43 109.87 179.633 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.681 ' HB ' HG13 ' A' ' 138' ' ' VAL . 43.7 t -111.75 105.31 18.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 116.332 -0.395 . . . . 72.23 110.32 -173.428 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.551 ' HA ' ' HB3' ' A' ' 139' ' ' ALA . . . -91.79 101.33 13.93 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.71 -0.478 . . . . 73.1 109.71 177.798 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 19.1 mt -109.67 104.03 54.43 Favored Pre-proline 0 C--O 1.233 0.188 0 CA-C-N 115.247 -0.888 . . . . 73.31 109.617 178.253 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . 0.411 ' HG2' ' CB ' ' A' ' 74' ' ' PRO . 61.1 Cg_endo -70.68 151.28 63.72 Favored 'Trans proline' 0 N--CA 1.463 -0.298 0 C-N-CA 122.559 2.173 . . . . 73.52 112.269 -177.449 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 69.9 15.2 71.35 Favored Glycine 0 CA--C 1.52 0.401 0 CA-C-N 115.793 -0.64 . . . . 54.45 112.866 -179.181 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.484 HD21 ' HA ' ' A' ' 111' ' ' ALA . 21.9 tp -130.9 140.78 50.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.811 0.339 . . . . 65.03 110.739 -177.606 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -77.1 136.74 38.65 Favored 'General case' 0 CA--C 1.521 -0.146 0 CA-C-N 115.975 -0.557 . . . . 72.42 110.661 176.46 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -53.73 -38.8 64.7 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.079 -0.51 . . . . 74.35 111.421 179.177 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -56.26 -51.71 67.15 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 115.992 -0.549 . . . . 64.13 110.989 -179.327 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.54 ' O ' HG22 ' A' ' 113' ' ' THR . . . -74.28 -34.62 63.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.683 0.754 . . . . 73.25 109.781 179.803 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . 0.484 ' HA ' HD21 ' A' ' 106' ' ' LEU . . . -55.8 -37.3 68.43 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 114.918 -1.037 . . . . 54.13 111.084 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -57.15 -49.32 76.31 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.069 -0.514 . . . . 74.23 110.919 176.849 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . 0.54 HG22 ' O ' ' A' ' 110' ' ' ALA . 1.2 t -71.07 -34.98 71.7 Favored 'General case' 0 C--N 1.332 -0.154 0 C-N-CA 121.025 -0.27 . . . . 74.22 110.466 -175.541 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.464 ' HG ' ' O ' ' A' ' 110' ' ' ALA . 45.2 mt -63.68 -51.59 64.43 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 120.849 0.357 . . . . 61.01 110.442 179.453 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 97.6 t -66.83 -32.5 58.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.1 -0.5 . . . . 72.22 110.707 178.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -62.61 -58.72 6.52 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 120.681 0.277 . . . . 63.5 110.375 178.309 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . 0.501 ' HG2' ' O ' ' A' ' 113' ' ' THR . 14.7 ptm180 -60.01 -38.89 83.98 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-O 121.01 0.433 . . . . 65.24 110.215 -179.151 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -61.39 -40.04 92.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.815 -0.63 . . . . 63.41 110.368 175.631 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . 0.467 ' CG ' HD11 ' A' ' 136' ' ' LEU . 7.8 t-80 -71.31 -4.35 25.52 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 115.604 -0.725 . . . . 74.13 110.741 179.356 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 36.6 m170 -100.21 -51.68 3.59 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 120.989 0.424 . . . . 75.14 110.327 176.383 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 35.4 m -69.89 -38.72 76.4 Favored 'Isoleucine or valine' 0 C--O 1.233 0.208 0 CA-C-N 115.502 -0.772 . . . . 74.54 113.0 -169.326 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' CYS . . . . . 0.418 ' N ' ' HD3' ' A' ' 123' ' ' PRO . 79.8 m -143.8 67.65 15.94 Favored Pre-proline 0 CA--C 1.534 0.33 0 N-CA-C 112.349 0.5 . . . . 72.12 112.349 -176.523 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . 0.418 ' HD3' ' N ' ' A' ' 122' ' ' CYS . 62.8 Cg_endo -101.71 -165.49 0.05 OUTLIER 'Trans proline' 0 N--CA 1.452 -0.957 0 C-N-CA 123.614 2.876 . . . . 74.45 111.213 169.758 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . 0.53 ' CE2' ' SG ' ' A' ' 57' ' ' CYS . 4.4 m-30 -81.22 -19.2 43.73 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 120.891 0.377 . . . . 65.44 110.141 173.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . 0.425 ' O ' HG22 ' A' ' 128' ' ' THR . 38.5 t 176.9 165.04 0.5 Allowed 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 115.499 -0.773 . . . . 62.44 109.137 177.613 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' ASN . . . . . 0.52 ' O ' ' HG2' ' A' ' 129' ' ' ARG . 27.1 t-20 -66.99 -31.4 71.95 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.705 0.764 . . . . 73.42 109.146 172.657 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . 0.533 ' CB ' ' HB3' ' B' ' 127' ' ' ALA . . . -65.07 6.54 0.24 Allowed 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 114.794 -1.093 . . . . 54.1 112.423 179.085 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . 0.44 HG23 ' CE1' ' A' ' 119' ' ' HIS . 13.0 t -88.34 -2.65 58.72 Favored 'General case' 0 CA--C 1.51 -0.571 0 N-CA-C 108.191 -1.041 . . . . 73.21 108.191 -173.592 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . 0.52 ' HG2' ' O ' ' A' ' 126' ' ' ASN . 2.6 ptm180 -127.71 -48.19 1.39 Allowed 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 114.937 -1.029 . . . . 72.04 112.06 -177.798 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' ASN . . . . . 0.428 ' ND2' ' H ' ' A' ' 130' ' ' ASN . 0.4 OUTLIER -78.4 -51.93 9.32 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-O 121.269 0.557 . . . . 71.52 110.893 178.384 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . 0.516 ' HB3' ' O ' ' A' ' 127' ' ' ALA . 4.7 t-20 -71.55 -44.04 65.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.285 -0.87 . . . . 72.12 111.207 -175.592 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 41.1 t -113.68 133.3 60.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.737 -0.665 . . . . 70.22 110.225 -170.781 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -73.6 89.68 1.74 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.734 0.778 . . . . 45.42 111.259 -177.809 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 65.5 t -112.32 105.14 18.22 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.67 0 CA-C-N 115.129 -0.942 . . . . 75.02 109.887 174.199 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 73.0 ttt180 -76.06 103.07 5.94 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.123 -0.944 . . . . 72.41 110.308 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.467 HD11 ' CG ' ' A' ' 119' ' ' HIS . 30.7 mt -80.26 120.0 23.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.302 -0.408 . . . . 50.04 110.06 176.091 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . 0.552 ' O ' ' HA ' ' A' ' 100' ' ' ARG . 0.1 OUTLIER -129.63 114.63 31.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 N-CA-C 108.855 -0.794 . . . . 74.42 108.855 177.929 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . 0.681 HG13 ' HB ' ' A' ' 101' ' ' VAL . 2.4 t -112.22 133.73 57.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-O 120.976 0.417 . . . . 53.11 110.077 -175.09 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . 0.551 ' HB3' ' HA ' ' A' ' 102' ' ' ALA . . . . . . . . 0 C--N 1.322 -0.608 0 CA-C-N 115.604 -0.726 . . . . 73.13 111.01 -175.034 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.576 ' HE3' HD13 ' B' ' 3' ' ' ILE . 20.5 ptt? . . . . . 0 C--O 1.233 0.216 0 CA-C-O 120.688 0.28 . . . . 72.42 110.915 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 50.9 t30 -77.39 73.13 3.96 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 121.478 0.656 . . . . 61.35 110.521 178.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . 0.576 HD13 ' HE3' ' B' ' 1' ' ' MET . 25.7 mm -60.17 132.09 25.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.259 -0.882 . . . . 72.42 111.314 175.125 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.701 ' HG ' ' HD3' ' A' ' 87' ' ' PRO . 93.8 mt -83.62 -48.19 10.47 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.663 -0.699 . . . . 75.25 110.197 176.457 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 5' ' ' TYR . . . . . . . . . . . . . 35.5 t80 -135.54 126.47 27.66 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 116.333 -0.394 . . . . 75.45 110.704 -179.323 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . 0.6 ' HD3' ' HG2' ' A' ' 82' ' ' GLU . 28.7 ttmt -134.43 135.72 42.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.998 0.428 . . . . 65.01 110.936 177.026 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 10.9 t -134.01 150.34 51.23 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 115.593 -0.731 . . . . 72.52 109.058 177.546 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . 0.451 ' HB2' ' HG3' ' A' ' 82' ' ' GLU . . . -121.82 143.51 49.36 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-O 121.193 0.52 . . . . 64.22 111.81 -173.782 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . 0.608 ' HA ' ' H ' ' B' ' 22' ' ' HIS . . . -139.16 130.95 27.54 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.735 -0.666 . . . . 31.45 110.352 178.512 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 90.2 m -103.02 124.04 47.75 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.103 -0.499 . . . . 64.31 110.732 -178.059 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 73.9 p -114.94 118.9 34.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.836 0.351 . . . . 74.14 110.409 177.19 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 3.1 m -101.02 155.65 17.86 Favored 'General case' 0 C--O 1.238 0.452 0 CA-C-N 116.289 -0.414 . . . . 53.42 110.585 -179.753 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -83.62 74.79 2.47 Favored Glycine 0 N--CA 1.449 -0.47 0 N-CA-C 111.535 -0.626 . . . . 71.12 111.535 176.205 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -63.33 -100.29 0.01 OUTLIER Glycine 0 C--N 1.335 0.494 0 N-CA-C 111.998 -0.441 . . . . 73.4 111.998 178.662 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 16.7 mmt180 -88.83 -55.53 3.66 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.852 0.358 . . . . 65.14 110.079 172.453 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 16' ' ' ASP . . . . . 0.548 ' HB3' ' HA ' ' B' ' 31' ' ' SER . 37.0 t70 -126.2 -42.81 1.83 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.067 -0.515 . . . . 65.33 109.727 173.611 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -160.3 146.68 12.93 Favored Glycine 0 C--N 1.342 0.872 0 C-N-CA 120.491 -0.861 . . . . 74.22 111.724 166.68 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 18' ' ' ARG . . . . . 0.465 ' HA ' ' HA ' ' B' ' 29' ' ' LYS . 3.1 tmm_? -135.52 105.68 6.31 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 108.768 -0.827 . . . . 74.4 108.768 178.233 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 19' ' ' ALA . . . . . 0.47 ' HB1' ' HB1' ' A' ' 52' ' ' ALA . . . -101.28 123.93 46.17 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.41 -0.359 . . . . 64.21 110.757 -174.63 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 20' ' ' THR . . . . . 0.424 HG23 ' O ' ' B' ' 26' ' ' LEU . 50.1 m -132.51 117.49 18.07 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.201 -0.454 . . . . 75.11 110.659 -176.474 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 21' ' ' SER . . . . . 0.54 ' HB3' ' N ' ' B' ' 26' ' ' LEU . 27.4 t -67.2 110.39 3.46 Favored 'General case' 0 C--O 1.248 0.983 0 N-CA-C 106.858 -1.534 . . . . 74.21 106.858 174.212 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 22' ' ' HIS . . . . . 0.608 ' H ' ' HA ' ' B' ' 9' ' ' ALA . 22.8 t60 -50.43 -38.44 43.25 Favored 'General case' 0 N--CA 1.471 0.583 0 O-C-N 126.506 2.379 . . . . 73.12 112.682 -162.634 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . 0.472 ' OD2' ' HE2' ' B' ' 25' ' ' LYS . 12.6 p30 -80.41 23.82 0.48 Allowed 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 115.898 -0.592 . . . . 63.54 110.679 -177.698 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . 0.407 ' H ' ' C ' ' B' ' 22' ' ' HIS . 31.3 mm-40 68.54 22.34 7.72 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 115.153 -0.93 . . . . 71.43 111.281 174.396 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.472 ' HE2' ' OD2' ' B' ' 23' ' ' ASP . 44.8 mtmt -79.84 -25.25 40.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.321 -0.4 . . . . 41.25 110.685 174.486 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . 0.54 ' N ' ' HB3' ' B' ' 21' ' ' SER . 27.7 tp -154.35 148.88 26.28 Favored 'General case' 0 CA--C 1.505 -0.776 0 C-N-CA 119.542 -0.863 . . . . 71.52 112.243 -178.16 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -154.59 101.72 2.35 Favored 'General case' 0 N--CA 1.444 -0.734 0 CA-C-N 114.743 -1.117 . . . . 53.33 109.942 178.304 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 3.6 m -145.14 176.36 2.15 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.643 0 CA-C-O 121.557 0.694 . . . . 74.12 112.267 178.556 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.465 ' HA ' ' HA ' ' B' ' 18' ' ' ARG . 19.5 ttmt -135.35 144.57 46.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 114.808 -1.087 . . . . 64.31 109.982 -178.546 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . 0.734 ' HA ' ' H ' ' B' ' 44' ' ' THR . 0.0 OUTLIER -129.83 159.74 35.63 Favored 'General case' 0 C--O 1.253 1.275 0 CA-C-N 116.256 -0.429 . . . . 72.32 110.123 173.114 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . 0.548 ' HA ' ' HB3' ' B' ' 16' ' ' ASP . 50.0 m -157.07 137.87 13.32 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 115.41 -0.814 . . . . 62.35 110.724 -177.16 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 32' ' ' ALA . . . . . 0.409 ' HA ' ' HD2' ' B' ' 33' ' ' PRO . . . -51.41 113.58 4.12 Favored Pre-proline 0 C--O 1.24 0.566 0 CA-C-N 115.876 -0.602 . . . . 75.13 110.511 175.882 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 33' ' ' PRO . . . . . 0.609 ' HG2' HD23 ' B' ' 36' ' ' LEU . 9.6 Cg_endo -51.95 136.91 52.78 Favored 'Trans proline' 0 C--N 1.352 0.743 0 C-N-CA 123.005 2.47 . . . . 71.3 112.025 -177.5 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.38 -12.83 61.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 71.43 110.565 -175.893 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . 0.439 ' HB3' HD22 ' B' ' 36' ' ' LEU . 23.3 tp10 -55.7 -35.44 66.08 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-O 121.342 0.591 . . . . 72.42 110.077 175.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.609 HD23 ' HG2' ' B' ' 33' ' ' PRO . 2.4 mm? -96.56 14.7 23.83 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 115.664 -0.698 . . . . 63.52 110.581 179.203 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 74.42 25.64 69.95 Favored Glycine 0 N--CA 1.453 -0.213 0 N-CA-C 111.703 -0.559 . . . . 51.22 111.703 -177.688 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -72.4 -127.73 0.09 OUTLIER Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 121.265 -0.493 . . . . 64.12 112.749 -178.294 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -103.11 -21.42 13.9 Favored 'General case' 0 C--N 1.328 -0.343 0 O-C-N 122.72 -0.283 . . . . 71.25 111.47 -176.121 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 53.97 46.64 68.64 Favored Glycine 0 C--N 1.331 0.262 0 CA-C-N 116.136 -0.484 . . . . 53.13 113.42 -176.669 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -101.55 171.28 7.66 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.685 0.279 . . . . 45.11 110.26 177.797 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -85.33 69.64 10.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.784 0.802 . . . . 74.14 110.233 -174.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -138.4 -158.47 7.76 Favored Glycine 0 C--N 1.317 -0.507 0 CA-C-N 114.162 -1.381 . . . . 72.12 111.689 177.421 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 44' ' ' THR . . . . . 0.734 ' H ' ' HA ' ' B' ' 30' ' ' LEU . 14.9 t -123.43 177.78 5.47 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.767 -0.457 . . . . 35.03 109.767 179.38 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 45' ' ' ASN . . . . . 0.644 HD21 HG21 ' A' ' 7' ' ' THR . 8.2 p-10 -103.34 132.66 20.89 Favored Pre-proline 0 CA--C 1.538 0.495 0 N-CA-C 110.135 -0.32 . . . . 71.14 110.135 -178.135 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 46' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -56.02 -50.02 13.62 Favored 'Trans proline' 0 C--N 1.353 0.795 0 C-N-CA 123.587 2.858 . . . . 54.41 114.428 -168.809 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 47' ' ' GLU . . . . . 0.424 ' CD ' HD22 ' B' ' 45' ' ' ASN . 0.0 OUTLIER -60.72 -30.7 70.13 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 121.298 -0.161 . . . . 73.03 110.648 -175.41 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . 0.618 ' HB2' HD21 ' B' ' 45' ' ' ASN . 0.7 OUTLIER -63.92 -48.85 74.96 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 121.031 0.444 . . . . 65.22 109.867 175.833 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 49' ' ' LEU . . . . . 0.405 HD12 ' HA3' ' A' ' 53' ' ' GLY . 3.3 tm? -58.33 -50.85 72.18 Favored 'General case' 0 C--O 1.238 0.468 0 CA-C-N 115.317 -0.856 . . . . 73.15 110.095 -178.359 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 25.8 t80 -62.84 -43.14 99.6 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.002 -0.545 . . . . 74.53 110.911 178.242 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.23 -53.03 61.14 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-O 120.876 0.369 . . . . 63.22 111.231 178.146 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 52' ' ' ALA . . . . . 0.609 ' HB1' ' HB1' ' A' ' 19' ' ' ALA . . . -59.95 -45.55 92.28 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 115.871 -0.604 . . . . 74.31 110.54 -179.317 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . 0.601 ' HA3' HD12 ' A' ' 49' ' ' LEU . . . -65.21 -36.45 92.86 Favored Glycine 0 N--CA 1.451 -0.366 0 CA-C-N 115.7 -0.682 . . . . 73.22 112.702 179.326 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 4.9 t80 -69.93 -45.08 68.27 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 122.41 0.284 . . . . 73.14 110.36 -177.398 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 55' ' ' SER . . . . . 0.41 ' HB3' ' HB2' ' B' ' 81' ' ' ALA . 15.1 p -64.5 -47.93 77.06 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.174 -0.466 . . . . 71.55 110.161 178.518 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 56' ' ' ALA . . . . . 0.519 ' HB1' HD21 ' A' ' 30' ' ' LEU . . . -61.64 -35.08 76.89 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-O 121.283 0.563 . . . . 72.32 110.641 176.385 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 57' ' ' CYS . . . . . . . . . . . . . 41.9 t -68.62 -36.44 78.64 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 109.467 -0.568 . . . . 72.4 109.467 176.825 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -70.21 -30.45 67.55 Favored 'General case' 0 N--CA 1.454 -0.275 0 CA-C-N 116.062 -0.517 . . . . 52.32 109.777 -178.729 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . 0.462 ' O ' ' HG3' ' B' ' 63' ' ' LYS . 92.8 mt -64.6 -41.52 96.17 Favored 'General case' 0 C--N 1.333 -0.11 0 CA-C-O 121.111 0.481 . . . . 64.41 109.775 173.54 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 60' ' ' SER . . . . . 0.447 ' HA ' ' HZ3' ' B' ' 63' ' ' LYS . 22.1 m -66.12 -44.59 83.83 Favored 'General case' 0 C--O 1.238 0.464 0 CA-C-N 115.867 -0.606 . . . . 73.23 110.401 177.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . 0.42 ' O ' HG23 ' B' ' 65' ' ' VAL . . . -63.16 -37.14 86.04 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.988 -0.551 . . . . 44.1 109.864 176.504 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 62' ' ' MET . . . . . . . . . . . . . 4.7 tpt -62.96 -38.32 90.6 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 115.51 -0.768 . . . . 71.0 109.842 177.838 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . 0.462 ' HG3' ' O ' ' B' ' 59' ' ' LEU . 29.6 mtmm -63.02 -48.56 78.26 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 116.007 -0.542 . . . . 72.03 109.92 175.739 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 34.9 t80 -55.63 -48.93 74.13 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 116.205 -0.452 . . . . 73.11 110.753 177.439 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . 0.42 HG23 ' O ' ' B' ' 61' ' ' ALA . 55.0 t -55.43 -47.16 78.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.989 -0.551 . . . . 75.05 110.685 179.14 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -56.98 -32.24 65.88 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.096 0.474 . . . . 74.13 110.543 177.754 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -69.54 -31.42 70.93 Favored Glycine 0 C--N 1.33 0.22 0 CA-C-N 115.411 -0.813 . . . . 75.04 112.43 -177.106 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -94.35 -19.74 20.38 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.452 0.644 . . . . 64.5 109.487 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 20.2 m-80 -91.81 -0.08 57.51 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 114.998 -1.001 . . . . 65.21 110.664 177.54 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 3.2 mptp? 56.23 23.9 7.59 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 115.671 -0.695 . . . . 73.12 111.401 174.288 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -110.88 160.58 16.65 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.521 -0.763 . . . . 74.24 109.785 179.071 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 8.5 p -118.45 132.87 56.23 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 116.064 -0.516 . . . . 74.12 110.202 -179.5 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . 0.435 ' HA ' ' HD3' ' B' ' 74' ' ' PRO . 0.3 OUTLIER -109.25 140.87 22.42 Favored Pre-proline 0 CA--C 1.534 0.333 0 CA-C-N 116.172 -0.467 . . . . 75.15 110.848 -177.575 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 74' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' B' ' 73' ' ' LEU . 31.2 Cg_exo -61.53 136.75 65.08 Favored 'Trans proline' 0 C--N 1.35 0.628 0 C-N-CA 122.974 2.449 . . . . 62.01 111.959 177.843 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -77.02 -15.94 59.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.921 0.391 . . . . 71.53 111.179 -179.025 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -80.73 6.66 12.22 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-O 121.364 0.602 . . . . 60.22 110.775 -178.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 77' ' ' THR . . . . . 0.408 HG22 ' O ' ' B' ' 74' ' ' PRO . 12.6 t -75.97 166.27 23.74 Favored 'General case' 0 C--O 1.238 0.453 0 CA-C-N 115.939 -0.573 . . . . 73.25 110.719 178.435 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 12.9 t -158.46 158.12 33.51 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-O 121.454 0.645 . . . . 71.23 111.778 179.694 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 79' ' ' VAL . . . . . 0.403 HG23 HD21 ' B' ' 59' ' ' LEU . 69.9 t -132.81 117.21 29.25 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-N 114.791 -1.095 . . . . 54.24 109.098 175.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 80' ' ' THR . . . . . 0.538 ' HA ' ' HA ' ' A' ' 10' ' ' THR . 12.9 m -98.06 108.46 21.18 Favored 'General case' 0 C--N 1.314 -0.948 0 CA-C-N 116.077 -0.51 . . . . 72.42 110.068 -178.662 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 81' ' ' ALA . . . . . 0.41 ' HB2' ' HB3' ' B' ' 55' ' ' SER . . . -93.08 104.61 16.8 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.525 -0.546 . . . . 73.43 109.525 178.609 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 82' ' ' GLU . . . . . 0.534 ' HB3' ' HB3' ' B' ' 98' ' ' GLU . 42.1 tt0 -107.71 107.89 18.87 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.271 -0.877 . . . . 71.23 109.281 -178.021 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 17.6 m -106.52 145.92 13.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 120.928 0.394 . . . . 71.44 110.904 -175.774 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 84' ' ' GLY . . . . . 0.421 ' HA2' ' HA ' ' A' ' 6' ' ' LYS . . . -135.87 159.61 24.31 Favored Glycine 0 N--CA 1.445 -0.763 0 CA-C-N 115.725 -0.671 . . . . 52.45 111.616 178.637 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 85' ' ' ILE . . . . . 0.493 HD11 ' CD2' ' B' ' 93' ' ' PHE . 0.0 OUTLIER -136.37 132.86 49.43 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 N-CA-C 109.231 -0.655 . . . . 73.1 109.231 -179.729 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 86' ' ' GLY . . . . . 0.406 ' HA2' ' HG ' ' A' ' 4' ' ' LEU . . . -145.84 169.94 27.18 Favored Glycine 0 N--CA 1.451 -0.354 0 CA-C-N 115.043 -0.98 . . . . 52.3 110.738 178.793 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 87' ' ' PRO . . . . . 0.662 ' HD3' ' HG ' ' A' ' 4' ' ' LEU . 95.0 Cg_endo -82.49 151.95 15.37 Favored 'Trans proline' 0 N--CA 1.458 -0.591 0 C-N-CA 122.479 2.119 . . . . 61.3 112.385 -177.155 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 88' ' ' ASN . . . . . . . . . . . . . 24.0 t-20 -107.29 151.8 24.98 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 108.927 -0.768 . . . . 72.3 108.927 174.814 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -58.2 -25.56 61.74 Favored 'General case' 0 C--N 1.33 -0.27 0 O-C-N 123.135 0.272 . . . . 65.22 111.177 -178.104 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -67.42 -26.67 66.54 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 121.178 0.513 . . . . 74.05 110.875 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.09 35.04 3.52 Favored Glycine 0 N--CA 1.453 -0.197 0 CA-C-N 115.934 -0.575 . . . . 72.2 111.722 -176.71 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . -133.85 -174.75 13.63 Favored Glycine 0 N--CA 1.45 -0.379 0 N-CA-C 110.866 -0.894 . . . . 70.13 110.866 178.166 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 93' ' ' PHE . . . . . 0.493 ' CD2' HD11 ' B' ' 85' ' ' ILE . 47.4 m-85 -98.01 149.8 22.07 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.98 0.419 . . . . 73.12 110.468 179.629 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -136.2 134.64 38.38 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.739 -0.664 . . . . 62.21 109.482 -179.37 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -102.02 137.14 40.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.148 0.499 . . . . 74.21 111.268 -174.732 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 96' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -120.69 110.42 16.38 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 114.948 -1.024 . . . . 73.53 108.825 178.212 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 97' ' ' VAL . . . . . 0.434 ' HB ' HG22 ' B' ' 134' ' ' VAL . 51.9 t -105.27 129.69 57.67 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.777 0 CA-C-O 120.863 0.363 . . . . 65.34 110.732 -176.035 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 98' ' ' GLU . . . . . 0.534 ' HB3' ' HB3' ' B' ' 82' ' ' GLU . 1.7 tp10 -119.76 104.74 10.49 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.772 -0.649 . . . . 74.42 109.41 179.62 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 83.4 mt -99.36 106.71 18.82 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 110.34 -0.244 . . . . 61.12 110.34 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 100' ' ' ARG . . . . . 0.568 ' HA ' ' O ' ' B' ' 137' ' ' VAL . 52.6 mtt180 -98.92 115.42 28.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.104 -0.498 . . . . 64.11 110.253 -177.459 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 101' ' ' VAL . . . . . 0.43 HG11 HG22 ' B' ' 115' ' ' VAL . 78.9 t -98.87 113.44 33.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.942 -0.572 . . . . 60.12 110.949 -176.686 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -110.91 101.67 10.23 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.991 -0.374 . . . . 53.32 109.991 176.344 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 103' ' ' LEU . . . . . 0.777 HD23 HD22 ' B' ' 106' ' ' LEU . 34.2 tp -113.53 116.12 46.27 Favored Pre-proline 0 C--N 1.331 -0.214 0 N-CA-C 109.127 -0.694 . . . . 72.24 109.127 178.371 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 104' ' ' PRO . . . . . 0.562 ' HD2' HD12 ' B' ' 103' ' ' LEU . 41.9 Cg_endo -68.9 147.03 67.51 Favored 'Trans proline' 0 N--CA 1.46 -0.449 0 C-N-CA 122.568 2.179 . . . . 74.24 112.195 -175.486 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 105' ' ' GLY . . . . . . . . . . . . . . . 74.42 15.05 80.48 Favored Glycine 0 N--CA 1.45 -0.404 0 CA-C-N 115.646 -0.706 . . . . 72.34 112.07 -177.674 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 106' ' ' LEU . . . . . 0.777 HD22 HD23 ' B' ' 103' ' ' LEU . 39.7 tp -129.72 143.91 51.04 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 122.708 0.403 . . . . 60.53 110.673 -177.436 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -82.55 164.85 20.59 Favored 'General case' 0 CA--C 1.513 -0.448 0 CA-C-N 116.223 -0.444 . . . . 63.12 110.505 177.606 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 108' ' ' ALA . . . . . 0.574 ' O ' ' HG2' ' B' ' 112' ' ' LYS . . . -68.63 -45.51 71.67 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.632 -0.713 . . . . 34.32 109.87 168.802 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -58.26 -47.68 82.81 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 115.713 -0.676 . . . . 64.51 110.812 -177.241 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -70.59 -42.91 70.41 Favored 'General case' 0 C--O 1.237 0.432 0 CA-C-N 116.057 -0.519 . . . . 72.03 109.948 177.419 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -55.12 -33.1 62.58 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 115.655 -0.702 . . . . 64.14 111.623 177.855 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 112' ' ' LYS . . . . . 0.574 ' HG2' ' O ' ' B' ' 108' ' ' ALA . 73.9 mmtt -51.04 -48.04 61.59 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 120.782 0.325 . . . . 74.45 110.74 178.265 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 113' ' ' THR . . . . . . . . . . . . . 1.6 t -82.08 -39.72 23.01 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 116.314 -0.403 . . . . 72.03 110.992 -177.437 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 45.6 mt -63.74 -48.47 76.89 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.443 -0.344 . . . . 70.23 110.79 -177.256 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 115' ' ' VAL . . . . . 0.525 HG13 ' CD2' ' B' ' 119' ' ' HIS . 54.6 t -61.38 -40.65 86.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.181 -0.463 . . . . 63.55 110.328 177.516 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 116' ' ' ASP . . . . . 0.555 ' O ' ' HB2' ' B' ' 120' ' ' HIS . 10.8 t70 -55.47 -61.24 2.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.526 -0.761 . . . . 75.43 110.136 -179.309 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 117' ' ' ARG . . . . . . . . . . . . . 9.6 ptm85 -66.32 -41.95 88.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.724 -0.671 . . . . 70.2 111.445 -176.273 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -73.02 -21.18 60.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.176 -0.465 . . . . 61.11 112.012 -175.423 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 119' ' ' HIS . . . . . 0.525 ' CD2' HG13 ' B' ' 115' ' ' VAL . 3.7 m-70 -116.46 13.84 15.5 Favored 'General case' 0 N--CA 1.463 0.206 0 O-C-N 122.009 -0.432 . . . . 74.31 111.456 178.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 120' ' ' HIS . . . . . 0.555 ' HB2' ' O ' ' B' ' 116' ' ' ASP . 0.8 OUTLIER -83.75 -18.08 39.02 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 120.886 0.374 . . . . 61.52 110.205 -179.938 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 30.1 m -113.0 45.68 0.29 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.38 0 CA-C-N 115.74 -0.663 . . . . 63.42 111.283 -175.351 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 122' ' ' CYS . . . . . 0.6 ' SG ' ' NE ' ' B' ' 129' ' ' ARG . 25.6 p -68.9 128.54 92.78 Favored Pre-proline 0 CA--C 1.536 0.409 0 CA-C-N 116.273 -0.421 . . . . 74.53 111.152 -177.839 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 123' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -71.11 -29.45 17.62 Favored 'Trans proline' 0 C--N 1.352 0.739 0 C-N-CA 122.527 2.152 . . . . 65.25 112.146 178.548 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 124' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -77.9 75.7 4.44 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.303 -0.408 . . . . 65.35 110.291 178.103 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 125' ' ' SER . . . . . 0.679 ' HB2' ' HB ' ' B' ' 128' ' ' THR . 45.0 m 60.41 109.38 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.323 0 O-C-N 123.966 0.791 . . . . 64.23 112.323 175.445 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 126' ' ' ASN . . . . . 0.42 ' O ' ' HG2' ' B' ' 129' ' ' ARG . 32.1 p-10 -58.61 -31.71 68.32 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 122.274 1.035 . . . . 74.24 108.394 170.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 127' ' ' ALA . . . . . 0.659 ' O ' ' HB3' ' B' ' 131' ' ' ASN . . . -76.97 6.6 6.0 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 114.071 -1.422 . . . . 65.3 112.573 -179.671 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 128' ' ' THR . . . . . 0.679 ' HB ' ' HB2' ' B' ' 125' ' ' SER . 3.3 t -87.32 -8.02 57.15 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 108.275 -1.009 . . . . 55.14 108.275 -176.269 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 129' ' ' ARG . . . . . 0.6 ' NE ' ' SG ' ' B' ' 122' ' ' CYS . 10.2 ptp180 -126.69 -35.36 2.33 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 114.421 -1.263 . . . . 75.21 110.413 -176.809 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 130' ' ' ASN . . . . . . . . . . . . . 54.7 m-80 -78.43 -51.87 9.4 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.877 -0.601 . . . . 74.14 111.009 173.4 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 131' ' ' ASN . . . . . 0.659 ' HB3' ' O ' ' B' ' 127' ' ' ALA . 3.3 t-20 -77.36 -43.74 31.81 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 121.227 0.537 . . . . 75.43 109.98 -178.873 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 132' ' ' VAL . . . . . 0.428 ' HB ' ' O ' ' B' ' 128' ' ' THR . 17.4 t -99.82 145.32 10.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.379 -0.828 . . . . 52.13 109.475 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 133' ' ' ALA . . . . . . . . . . . . . . . -76.07 101.28 5.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.274 0.559 . . . . 72.23 112.247 -174.015 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 134' ' ' VAL . . . . . 0.434 HG22 ' HB ' ' B' ' 97' ' ' VAL . 96.1 t -120.19 140.44 44.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.496 -0.774 . . . . 61.1 110.019 172.465 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 82.9 mtt-85 -115.64 110.26 18.93 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.724 -0.671 . . . . 74.32 109.488 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 21.1 mt -82.59 100.7 10.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.54 0.686 . . . . 72.41 109.846 176.486 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 137' ' ' VAL . . . . . 0.568 ' O ' ' HA ' ' B' ' 100' ' ' ARG . 0.2 OUTLIER -112.4 116.11 51.69 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 114.819 -1.082 . . . . 72.22 109.819 -176.242 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 138' ' ' VAL . . . . . 0.41 HG12 HG21 ' B' ' 115' ' ' VAL . 2.8 m -90.67 138.44 19.52 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 CA-C-N 115.679 -0.691 . . . . 70.52 109.959 -178.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 139' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.226 0 CA-C-O 118.505 -0.759 . . . . 71.35 110.695 -176.314 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.5 ptt? . . . . . 0 N--CA 1.485 1.284 0 CA-C-O 120.732 0.301 . . . . 71.43 110.858 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 33.3 t30 -73.46 74.63 1.42 Allowed 'General case' 0 CA--C 1.533 0.312 0 CA-C-O 121.244 0.545 . . . . 75.52 110.936 177.366 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.527 HG21 ' HB2' ' A' ' 6' ' ' LYS . 30.5 mm -72.48 125.0 30.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.957 -0.565 . . . . 51.02 111.511 174.615 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.739 ' HG ' ' HD3' ' B' ' 87' ' ' PRO . 89.4 mt -82.21 -45.07 15.56 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.347 -0.842 . . . . 74.21 110.134 176.309 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 39.3 t80 -137.34 127.11 25.49 Favored 'General case' 0 C--O 1.222 -0.364 0 CA-C-N 116.02 -0.536 . . . . 54.43 110.437 -178.084 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.527 ' HB2' HG21 ' A' ' 3' ' ' ILE . 31.9 ttmt -136.71 128.38 28.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.906 0.384 . . . . 62.42 110.121 175.16 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 15.2 t -133.3 154.15 50.95 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.808 -0.633 . . . . 73.02 109.662 -178.749 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.423 ' HA ' ' HA ' ' B' ' 82' ' ' GLU . . . -114.28 140.5 48.55 Favored 'General case' 0 C--O 1.237 0.431 0 CA-C-O 121.318 0.58 . . . . 64.34 112.542 -171.126 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -124.99 135.32 52.68 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.156 -0.929 . . . . 65.14 109.148 173.089 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.403 HG22 ' HB2' ' A' ' 22' ' ' HIS . 14.5 t -123.26 128.98 50.74 Favored 'General case' 0 N--CA 1.445 -0.687 0 N-CA-C 108.648 -0.871 . . . . 73.43 108.648 -178.436 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 71.0 m -125.34 114.61 19.12 Favored 'General case' 0 C--N 1.314 -0.943 0 CA-C-N 115.623 -0.717 . . . . 71.32 110.757 -175.189 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.1 m -101.37 157.79 16.54 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 115.586 -0.733 . . . . 72.12 110.831 -176.749 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -81.19 69.57 3.24 Favored Glycine 0 N--CA 1.451 -0.345 0 N-CA-C 111.247 -0.741 . . . . 62.44 111.247 174.691 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -57.71 -98.9 0.01 OUTLIER Glycine 0 C--N 1.336 0.57 0 C-N-CA 121.722 -0.275 . . . . 62.02 113.171 -176.473 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 17.0 mtp180 -88.71 -53.4 4.64 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.052 -0.722 . . . . 73.04 109.052 174.493 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -125.78 -42.48 1.91 Allowed 'General case' 0 C--O 1.235 0.292 0 N-CA-C 109.208 -0.664 . . . . 74.22 109.208 168.237 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.499 ' O ' ' HG3' ' A' ' 29' ' ' LYS . . . -156.56 151.98 23.38 Favored Glycine 0 C--N 1.336 0.568 0 N-CA-C 110.792 -0.923 . . . . 73.12 110.792 167.016 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.518 ' HA ' ' HA ' ' A' ' 29' ' ' LYS . 3.5 tmt_? -142.91 113.44 7.39 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 117.268 0.534 . . . . 73.24 109.668 -178.784 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -110.12 123.98 50.7 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.188 -0.46 . . . . 71.12 110.653 -175.157 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.503 HG23 ' O ' ' A' ' 26' ' ' LEU . 88.6 m -136.39 121.26 18.67 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.188 -0.46 . . . . 63.53 110.937 -175.662 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.675 ' HB3' ' N ' ' A' ' 26' ' ' LEU . 2.9 t -68.75 106.84 2.8 Favored 'General case' 0 C--O 1.248 1.008 0 N-CA-C 106.183 -1.784 . . . . 62.3 106.183 170.547 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.419 ' C ' ' H ' ' A' ' 24' ' ' GLN . 75.5 t60 -66.31 -14.63 62.32 Favored 'General case' 0 C--N 1.346 0.441 0 O-C-N 125.713 1.883 . . . . 71.44 110.505 -170.788 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.508 ' HB3' ' HE2' ' A' ' 25' ' ' LYS . 36.6 t0 -80.46 14.28 2.09 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.212 -0.904 . . . . 73.43 108.851 175.29 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.419 ' H ' ' C ' ' A' ' 22' ' ' HIS . 31.2 mm-40 69.69 30.08 3.99 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-N 114.518 -1.219 . . . . 72.53 111.213 173.006 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.508 ' HE2' ' HB3' ' A' ' 23' ' ' ASP . 51.0 mtmt -111.46 -9.58 14.21 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.939 -0.573 . . . . 73.44 111.986 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.675 ' N ' ' HB3' ' A' ' 21' ' ' SER . 41.0 tp -152.51 145.77 24.71 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 119.726 -0.79 . . . . 74.42 110.681 174.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -158.67 95.66 1.33 Allowed 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 121.012 0.434 . . . . 74.13 110.349 175.611 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 4.4 m -139.91 177.85 4.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 121.535 0.683 . . . . 62.12 111.359 178.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.518 ' HA ' ' HA ' ' A' ' 18' ' ' ARG . 16.7 ttpp -137.01 139.14 41.2 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.068 -0.969 . . . . 62.42 110.277 -177.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.613 ' HA ' ' H ' ' A' ' 44' ' ' THR . 0.0 OUTLIER -127.25 170.99 11.85 Favored 'General case' 0 C--O 1.249 1.036 0 CA-C-N 116.038 -0.528 . . . . 64.12 110.189 179.317 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 12.6 p -159.34 147.57 17.7 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.799 -0.637 . . . . 75.34 111.285 -178.189 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.422 ' HA ' ' HD2' ' A' ' 33' ' ' PRO . . . -66.77 113.14 11.75 Favored Pre-proline 0 C--O 1.238 0.472 0 CA-C-N 115.772 -0.649 . . . . 52.21 110.066 175.489 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.537 ' HG3' ' ND2' ' A' ' 45' ' ' ASN . 15.5 Cg_endo -55.32 113.39 1.39 Allowed 'Trans proline' 0 C--N 1.348 0.542 0 C-N-CA 122.614 2.209 . . . . 73.33 111.497 -177.031 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.687 ' HD2' ' HA2' ' A' ' 40' ' ' GLY . 50.5 ttt180 -66.88 -6.84 18.03 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 116.308 -0.405 . . . . 50.12 111.453 -176.487 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -50.93 -21.85 1.95 Allowed 'General case' 0 N--CA 1.465 0.281 0 C-N-CA 123.483 0.713 . . . . 75.14 112.716 179.309 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 60.3 mt -117.78 35.3 4.76 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.898 0.38 . . . . 63.44 110.12 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 66.51 43.91 91.29 Favored Glycine 0 C--N 1.333 0.395 0 N-CA-C 110.955 -0.858 . . . . 72.22 110.955 -175.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.481 ' H ' ' HA ' ' A' ' 34' ' ' ARG . . . -81.24 -110.55 0.34 Allowed Glycine 0 C--N 1.33 0.225 0 CA-C-N 115.115 -0.543 . . . . 73.44 113.068 -171.86 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -123.9 -57.54 1.61 Allowed 'General case' 0 C--O 1.234 0.247 0 CA-C-N 116.905 0.353 . . . . 63.22 111.289 -174.515 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.687 ' HA2' ' HD2' ' A' ' 34' ' ' ARG . . . -173.94 -80.07 0.05 OUTLIER Glycine 0 N--CA 1.447 -0.57 0 C-N-CA 119.411 -1.376 . . . . 45.53 114.29 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -72.64 -178.4 2.63 Favored 'General case' 0 C--O 1.235 0.33 0 N-CA-C 112.967 0.729 . . . . 44.21 112.967 -169.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -95.59 -53.51 3.7 Favored 'General case' 0 CA--C 1.498 -1.03 0 CA-C-O 123.021 1.391 . . . . 71.23 109.973 179.001 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.414 ' O ' ' HD2' ' B' ' 25' ' ' LYS . . . 40.56 -127.11 2.98 Favored Glycine 0 C--N 1.291 -1.955 0 CA-C-N 110.854 -2.885 . . . . 55.55 111.972 -177.387 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.613 ' H ' ' HA ' ' A' ' 30' ' ' LEU . 32.8 p -129.01 156.82 43.2 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 108.707 -0.849 . . . . 74.01 108.707 170.294 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.537 ' ND2' ' HG3' ' A' ' 33' ' ' PRO . 1.1 m-20 -92.12 129.21 42.35 Favored Pre-proline 0 C--N 1.323 -0.572 0 N-CA-C 109.196 -0.668 . . . . 72.33 109.196 -179.363 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_endo -53.1 -35.62 73.4 Favored 'Trans proline' 0 CA--C 1.534 0.492 0 C-N-CA 122.578 2.185 . . . . 63.04 112.111 178.508 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.48 ' HG2' HD11 ' A' ' 95' ' ' LEU . 23.5 mp0 -71.51 -37.45 71.21 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-O 121.792 0.805 . . . . 62.13 109.092 179.611 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.514 ' HB3' ' HB2' ' A' ' 45' ' ' ASN . 29.9 tt0 -66.89 -39.8 87.56 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 114.34 -1.3 . . . . 72.35 110.572 178.595 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.483 HD12 ' HA3' ' B' ' 53' ' ' GLY . 3.3 tm? -66.98 -47.49 71.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.695 -0.684 . . . . 71.11 109.397 179.083 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 46.3 t80 -59.44 -43.03 93.21 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.774 -0.648 . . . . 64.45 110.571 176.712 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.56 ' HB2' HG11 ' A' ' 83' ' ' VAL . . . -57.43 -53.31 59.54 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 116.174 -0.466 . . . . 52.03 111.434 177.151 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.457 ' HB1' ' HB1' ' B' ' 19' ' ' ALA . . . -59.7 -44.77 93.53 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 115.903 -0.589 . . . . 51.43 110.318 -179.615 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.493 ' O ' ' SG ' ' A' ' 57' ' ' CYS . . . -60.33 -52.12 54.58 Favored Glycine 0 C--O 1.223 -0.566 0 CA-C-N 115.533 -0.758 . . . . 45.35 112.114 178.853 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -57.11 -51.28 69.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.86 0.362 . . . . 71.4 110.449 -178.103 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.557 ' HB3' ' HB2' ' A' ' 81' ' ' ALA . 51.9 p -60.48 -52.15 66.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.457 . . . . 50.31 110.826 -177.227 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.53 ' HB1' HD21 ' B' ' 30' ' ' LEU . . . -61.47 -41.22 96.91 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-O 121.002 0.429 . . . . 72.41 110.997 179.848 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.565 ' SG ' ' HB3' ' B' ' 46' ' ' PRO . 96.2 m -63.34 -35.99 82.21 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.933 -0.576 . . . . 74.4 110.643 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 38.5 t80 -55.01 -31.82 61.34 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 116.305 -0.407 . . . . 64.12 110.345 -177.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 9.1 mp -64.21 -51.63 62.79 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.157 -0.474 . . . . 74.12 109.931 176.082 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 10.8 m -60.41 -37.72 81.73 Favored 'General case' 0 C--O 1.238 0.474 0 CA-C-O 121.214 0.53 . . . . 74.4 110.53 178.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -61.26 -49.28 77.69 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 116.0 -0.545 . . . . 64.15 109.931 177.46 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 18.3 mtp -69.97 -20.43 63.31 Favored 'General case' 0 C--O 1.227 -0.128 0 CA-C-N 115.81 -0.632 . . . . 61.32 110.912 177.314 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 25.5 tptp -67.39 -44.84 77.89 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.159 -0.682 . . . . 62.32 109.159 174.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 33.5 t80 -63.89 -45.43 89.41 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 115.854 -0.612 . . . . 70.35 110.226 175.269 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 71.1 t -57.55 -51.37 70.79 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.17 0 CA-C-N 116.16 -0.473 . . . . 51.41 110.661 178.092 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -60.84 -29.3 69.42 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.852 -0.613 . . . . 55.45 110.172 179.236 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -71.52 -30.67 66.34 Favored Glycine 0 N--CA 1.45 -0.429 0 CA-C-N 115.547 -0.752 . . . . 65.01 112.2 -178.68 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -92.93 -22.47 19.2 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-O 121.245 0.545 . . . . 73.33 109.548 -178.821 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.419 ' HB3' ' HG2' ' A' ' 71' ' ' GLN . 16.6 m-80 -86.88 -1.85 58.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.04 -0.982 . . . . 73.35 110.701 176.849 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 9.6 mptt 60.93 26.47 16.39 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 115.919 -0.582 . . . . 70.5 111.18 177.091 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.419 ' HG2' ' HB3' ' A' ' 69' ' ' ASN . 1.9 pt20 -113.44 168.09 10.04 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.086 0.469 . . . . 65.11 110.834 -178.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 33.1 p -120.94 145.65 47.48 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.661 -0.7 . . . . 71.13 109.955 178.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.412 ' HA ' ' HD3' ' A' ' 74' ' ' PRO . 96.5 mt -109.28 145.78 32.55 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.47 -0.332 . . . . 63.13 110.526 -179.587 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.479 ' HG2' HD11 ' A' ' 103' ' ' LEU . 37.9 Cg_exo -63.07 113.79 2.18 Favored 'Trans proline' 0 C--N 1.348 0.504 0 C-N-CA 122.708 2.272 . . . . 75.32 111.659 174.802 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -74.77 2.02 11.08 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.879 0.371 . . . . 74.43 111.832 -177.486 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.505 ' HB3' ' HG3' ' A' ' 104' ' ' PRO . 38.8 t70 -93.09 5.27 52.09 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.339 0.59 . . . . 72.44 110.752 -178.657 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.595 ' HB ' HD22 ' A' ' 103' ' ' LEU . 5.5 t -77.29 163.35 26.56 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-N 115.824 -0.625 . . . . 73.42 111.339 -179.351 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 9.2 m -148.24 149.03 31.18 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.008 -0.738 . . . . 65.01 109.008 177.555 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 93.1 t -127.05 129.85 71.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 N-CA-C 109.709 -0.478 . . . . 73.54 109.709 176.258 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.404 ' HB ' ' HB3' ' A' ' 100' ' ' ARG . 6.7 m -108.54 111.79 23.83 Favored 'General case' 0 C--N 1.318 -0.779 0 C-N-CA 120.863 -0.335 . . . . 61.0 110.434 176.439 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.557 ' HB2' ' HB3' ' A' ' 55' ' ' SER . . . -93.22 104.31 16.5 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.552 -0.536 . . . . 75.0 109.552 176.744 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.491 ' HG2' ' HD3' ' B' ' 6' ' ' LYS . 36.5 tt0 -109.0 107.58 17.99 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.347 -0.612 . . . . 74.0 109.347 -178.447 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.56 HG11 ' HB2' ' A' ' 51' ' ' ALA . 31.1 m -108.68 144.64 16.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-O 120.929 0.395 . . . . 74.25 111.111 -174.093 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.42 ' HA2' ' HA ' ' B' ' 6' ' ' LYS . . . -137.77 163.67 25.53 Favored Glycine 0 N--CA 1.442 -0.929 0 CA-C-N 115.647 -0.706 . . . . 64.22 111.853 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -135.31 130.15 50.67 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.847 0 N-CA-C 108.869 -0.789 . . . . 71.32 108.869 178.217 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -150.41 169.78 30.34 Favored Glycine 0 N--CA 1.451 -0.307 0 CA-C-N 115.161 -0.927 . . . . 64.2 111.12 178.127 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.443 ' HD3' ' HG ' ' B' ' 4' ' ' LEU . 57.3 Cg_endo -71.47 134.72 25.01 Favored 'Trans proline' 0 C--O 1.235 0.371 0 C-N-CA 122.334 2.022 . . . . 75.13 112.116 -179.343 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . 0.493 ' HB2' ' HB2' ' A' ' 94' ' ' ALA . 5.4 t-20 -91.92 150.21 21.15 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.574 -0.739 . . . . 63.43 110.456 -177.676 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -57.58 -27.04 62.34 Favored 'General case' 0 CA--C 1.533 0.304 0 O-C-N 123.562 0.539 . . . . 74.31 111.567 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -69.53 -21.87 63.61 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 116.075 -0.511 . . . . 62.35 111.395 -179.553 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.27 35.32 3.41 Favored Glycine 0 CA--C 1.517 0.203 0 CA-C-N 116.276 -0.42 . . . . 52.42 112.238 -179.485 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -141.65 -152.2 5.68 Favored Glycine 0 C--O 1.23 -0.121 0 N-CA-C 110.931 -0.868 . . . . 74.12 110.931 176.603 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 54.0 m-85 -103.84 155.57 18.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 117.115 0.457 . . . . 72.25 109.915 176.399 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.493 ' HB2' ' HB2' ' A' ' 88' ' ' ASN . . . -141.17 130.1 23.14 Favored 'General case' 0 C--O 1.239 0.513 0 CA-C-N 116.294 -0.412 . . . . 73.43 110.146 179.742 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.48 HD11 ' HG2' ' A' ' 47' ' ' GLU . 4.3 mm? -98.05 123.47 42.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.601 -0.727 . . . . 75.45 109.941 178.284 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -110.0 110.48 21.41 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.449 -0.796 . . . . 62.1 109.46 -179.456 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.507 HG22 HG12 ' A' ' 83' ' ' VAL . 60.6 t -106.8 110.48 31.85 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.807 0 CA-C-N 115.893 -0.594 . . . . 41.42 110.741 -176.052 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.472 ' HG2' ' HB3' ' A' ' 135' ' ' ARG . 43.6 mt-10 -98.78 110.03 22.7 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.891 0.377 . . . . 51.52 110.234 179.081 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 87.2 mt -95.59 108.41 20.67 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.074 -0.512 . . . . 73.33 110.109 179.118 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.553 ' HA ' ' O ' ' A' ' 137' ' ' VAL . 61.8 ttp180 -99.11 110.4 22.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.013 -0.54 . . . . 73.43 109.808 -179.407 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 46.9 t -103.38 98.59 7.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.482 -0.326 . . . . 72.23 110.369 -174.168 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -91.89 101.49 14.06 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.92 0.391 . . . . 73.1 110.169 -179.446 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.595 HD22 ' HB ' ' A' ' 77' ' ' THR . 0.3 OUTLIER -108.81 117.69 53.4 Favored Pre-proline 0 C--N 1.326 -0.442 0 N-CA-C 109.237 -0.653 . . . . 73.31 109.237 -177.743 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . 0.514 ' HD3' ' HA ' ' A' ' 77' ' ' THR . 61.1 Cg_endo -70.43 150.53 64.26 Favored 'Trans proline' 0 C--O 1.234 0.303 0 C-N-CA 122.85 2.367 . . . . 73.52 112.961 -177.857 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 64.31 15.43 58.93 Favored Glycine 0 CA--C 1.52 0.344 0 CA-C-N 115.536 -0.756 . . . . 54.45 113.282 178.109 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.589 HD23 ' HB3' ' A' ' 103' ' ' LEU . 27.0 tp -120.44 139.94 52.11 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.089 0.471 . . . . 65.03 110.854 -176.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -78.08 141.54 38.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.719 -0.673 . . . . 72.42 110.181 175.528 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -59.78 -40.65 88.98 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.395 -0.366 . . . . 74.35 110.953 178.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -57.0 -43.15 81.49 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 115.881 -0.6 . . . . 64.13 110.988 -179.332 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.514 ' O ' HG22 ' A' ' 113' ' ' THR . . . -77.81 -38.14 47.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.043 -0.526 . . . . 73.25 110.237 178.697 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -55.89 -34.6 65.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.703 -0.68 . . . . 54.13 110.62 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.446 ' O ' ' HB2' ' A' ' 116' ' ' ASP . 30.0 mmtp -54.11 -48.47 70.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.871 -0.604 . . . . 74.23 111.01 175.396 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . 0.514 HG22 ' O ' ' A' ' 110' ' ' ALA . 1.2 t -74.89 -35.3 62.27 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.727 -0.215 . . . . 74.22 110.74 -177.011 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 57.8 mt -66.89 -49.5 65.4 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.899 0.381 . . . . 61.01 110.506 -178.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 73.0 t -64.57 -36.17 76.66 Favored 'Isoleucine or valine' 0 C--O 1.238 0.499 0 CA-C-N 116.056 -0.52 . . . . 72.22 110.213 178.454 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . 0.446 ' HB2' ' O ' ' A' ' 112' ' ' LYS . 8.9 t70 -59.18 -61.39 2.67 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 115.65 -0.705 . . . . 63.5 110.008 179.493 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . 0.479 ' HG2' ' O ' ' A' ' 113' ' ' THR . 14.6 ptm180 -61.59 -36.3 80.29 Favored 'General case' 0 CA--C 1.523 -0.062 0 CA-C-N 116.102 -0.499 . . . . 65.24 110.359 -177.747 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -57.96 -44.82 87.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.839 -0.619 . . . . 63.41 110.841 177.805 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 59.8 m80 -80.37 -0.13 35.6 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 116.492 -0.322 . . . . 74.13 111.654 -179.631 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 10.6 m170 -97.49 -44.53 6.8 Favored 'General case' 0 N--CA 1.464 0.256 0 N-CA-C 109.923 -0.399 . . . . 75.14 109.923 173.269 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 28.9 m -79.44 -30.49 13.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.051 -0.522 . . . . 74.54 111.077 -177.373 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 71.4 m -140.69 70.35 30.84 Favored Pre-proline 0 CA--C 1.533 0.319 0 N-CA-C 112.235 0.457 . . . . 72.12 112.235 -178.789 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_endo -89.79 147.61 4.87 Favored 'Trans proline' 0 N--CA 1.453 -0.877 0 C-N-CA 122.46 2.107 . . . . 74.45 109.675 164.706 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . 0.444 ' OH ' ' HA ' ' B' ' 47' ' ' GLU . 0.7 OUTLIER -59.04 -30.9 68.37 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-O 121.7 0.762 . . . . 65.44 109.375 -178.829 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . 0.572 ' O ' HG22 ' A' ' 128' ' ' THR . 50.2 m -158.31 140.76 14.36 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 107.291 -1.374 . . . . 62.44 107.291 170.842 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 42.3 m-80 -58.62 -31.91 68.52 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 118.585 0.629 . . . . 73.42 110.433 -179.078 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . 0.635 ' O ' ' HB3' ' A' ' 131' ' ' ASN . . . -84.21 6.68 21.73 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.068 -0.515 . . . . 54.1 111.958 -179.317 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . 0.572 HG22 ' O ' ' A' ' 125' ' ' SER . 1.7 t -93.82 -5.39 48.25 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.223 -0.658 . . . . 73.21 109.223 -172.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 3.1 ptm180 -117.94 -45.47 2.67 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.298 -0.865 . . . . 72.04 111.207 -176.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -78.46 -55.48 5.18 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-O 120.904 0.383 . . . . 71.52 110.608 175.663 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . 0.635 ' HB3' ' O ' ' A' ' 127' ' ' ALA . 2.7 t-20 -67.41 -43.87 80.17 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 115.803 -0.635 . . . . 72.12 110.168 -177.165 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 35.1 t -96.28 135.45 30.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.795 -0.639 . . . . 70.22 109.464 178.719 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . 0.409 ' HB3' ' O ' ' A' ' 95' ' ' LEU . . . -73.6 101.31 3.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.307 0.575 . . . . 45.42 111.836 -173.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . 0.423 HG22 ' HB ' ' A' ' 97' ' ' VAL . 50.1 t -124.05 125.0 70.13 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.348 0 CA-C-N 115.416 -0.811 . . . . 75.02 110.22 175.881 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . 0.472 ' HB3' ' HG2' ' A' ' 98' ' ' GLU . 21.4 ttt180 -100.78 119.68 38.99 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.448 -0.797 . . . . 72.41 109.718 179.576 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 41.0 mt -91.23 119.69 31.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.156 0.503 . . . . 50.04 111.265 -178.692 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . 0.553 ' O ' ' HA ' ' A' ' 100' ' ' ARG . 0.2 OUTLIER -126.65 115.1 40.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 115.526 -0.761 . . . . 74.42 109.878 178.585 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 2.9 m -91.92 138.9 18.81 Favored 'Isoleucine or valine' 0 C--O 1.238 0.486 0 CA-C-O 121.091 0.472 . . . . 53.11 110.05 -179.253 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.319 -0.737 0 CA-C-N 115.69 -0.686 . . . . 73.13 110.759 -176.915 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.548 ' HE3' HD13 ' B' ' 3' ' ' ILE . 18.7 ptt? . . . . . 0 C--O 1.234 0.26 0 CA-C-O 120.669 0.271 . . . . 72.42 111.059 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 43.5 t30 -77.55 74.17 4.12 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-O 121.57 0.7 . . . . 61.35 110.698 179.022 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . 0.577 HG21 ' HB2' ' B' ' 6' ' ' LYS . 30.1 mm -64.42 128.33 26.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.312 -0.858 . . . . 72.42 111.009 175.291 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.443 ' HG ' ' HD3' ' A' ' 87' ' ' PRO . 94.1 mt -81.31 -43.48 19.06 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.82 -0.627 . . . . 75.25 110.253 177.706 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 5' ' ' TYR . . . . . . . . . . . . . 22.8 t80 -140.66 129.81 23.54 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 116.268 -0.424 . . . . 75.45 110.615 -179.681 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . 0.577 ' HB2' HG21 ' B' ' 3' ' ' ILE . 31.0 ttmt -138.04 135.94 36.36 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.89 0.376 . . . . 65.01 110.946 177.638 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . 0.487 HG21 ' HB2' ' A' ' 48' ' ' GLN . 9.8 t -127.86 145.67 50.87 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-N 115.885 -0.598 . . . . 72.52 109.901 178.256 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . 0.446 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . . . -110.48 134.76 52.05 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 116.35 -0.386 . . . . 64.22 110.596 -179.637 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -125.84 128.7 48.05 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.982 -0.377 . . . . 31.45 109.982 177.013 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 5.7 t -100.98 125.81 47.61 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.175 0.512 . . . . 64.31 110.135 -178.294 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 15.3 p -116.74 113.32 22.42 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.747 -0.66 . . . . 74.14 109.778 177.235 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 3.1 m -102.52 161.58 13.61 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.797 -0.638 . . . . 53.42 111.192 -175.457 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -76.06 75.48 1.52 Allowed Glycine 0 N--CA 1.449 -0.494 0 N-CA-C 111.641 -0.584 . . . . 71.12 111.641 172.711 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -69.89 -128.6 0.06 OUTLIER Glycine 0 CA--C 1.523 0.547 0 C-N-CA 121.576 -0.345 . . . . 73.4 112.507 175.247 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 2.2 tpm_? -64.0 -55.03 25.31 Favored 'General case' 0 N--CA 1.465 0.291 0 N-CA-C 109.726 -0.472 . . . . 65.14 109.726 176.58 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 16' ' ' ASP . . . . . 0.538 ' HB3' ' HA ' ' B' ' 31' ' ' SER . 37.4 t70 -126.5 -42.32 1.82 Allowed 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 108.822 -0.807 . . . . 65.33 108.822 170.109 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -155.45 152.96 24.41 Favored Glycine 0 N--CA 1.448 -0.549 0 CA-C-N 115.496 -0.775 . . . . 74.22 111.636 169.818 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 18' ' ' ARG . . . . . 0.439 ' HD3' ' O ' ' B' ' 28' ' ' VAL . 3.6 tpp180 -122.57 145.64 48.16 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 108.757 -0.831 . . . . 74.4 108.757 176.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 19' ' ' ALA . . . . . 0.457 ' HB1' ' HB1' ' A' ' 52' ' ' ALA . . . -134.15 123.34 24.22 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.46 -0.57 . . . . 64.21 109.46 172.416 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 38.1 m -140.61 112.15 7.41 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.928 -0.578 . . . . 75.11 110.149 -177.487 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 21' ' ' SER . . . . . 0.497 ' CB ' ' HB3' ' B' ' 26' ' ' LEU . 20.7 t -74.74 115.45 14.34 Favored 'General case' 0 C--O 1.249 1.027 0 N-CA-C 107.531 -1.285 . . . . 74.21 107.531 176.71 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 22' ' ' HIS . . . . . . . . . . . . . 74.0 t60 -68.19 -12.95 61.82 Favored 'General case' 0 C--N 1.343 0.305 0 O-C-N 125.929 2.018 . . . . 73.12 112.182 -164.548 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . 0.468 ' OD1' ' HE2' ' B' ' 25' ' ' LYS . 23.4 p30 -80.51 11.8 3.48 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 121.683 0.754 . . . . 63.54 109.325 172.758 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 32.2 mm-40 72.0 22.54 3.73 Favored 'General case' 0 CA--C 1.51 -0.558 0 CA-C-N 113.941 -1.481 . . . . 71.43 111.25 170.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.468 ' HE2' ' OD1' ' B' ' 23' ' ' ASP . 48.7 mtmt -99.23 -13.63 19.63 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-N 115.81 -0.632 . . . . 41.25 111.625 177.79 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . 0.497 ' HB3' ' CB ' ' B' ' 21' ' ' SER . 62.6 tp -140.66 138.02 34.01 Favored 'General case' 0 C--N 1.347 0.476 0 C-N-CA 119.237 -0.985 . . . . 71.52 110.899 176.221 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -158.49 94.08 1.24 Allowed 'General case' 0 N--CA 1.463 0.202 0 O-C-N 123.508 0.505 . . . . 53.33 110.484 175.583 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . 0.439 ' O ' ' HD3' ' B' ' 18' ' ' ARG . 4.0 m -146.71 177.89 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.728 -0.669 . . . . 74.12 110.483 178.118 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.467 ' HE2' ' HB3' ' B' ' 29' ' ' LYS . 0.6 OUTLIER -131.74 144.19 50.79 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.868 -0.606 . . . . 64.31 110.193 -177.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . 0.62 ' HA ' ' H ' ' B' ' 44' ' ' THR . 0.0 OUTLIER -125.06 167.04 15.31 Favored 'General case' 0 C--O 1.249 1.027 0 CA-C-N 116.329 -0.396 . . . . 72.32 110.227 178.463 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . 0.538 ' HA ' ' HB3' ' B' ' 16' ' ' ASP . 50.6 m -160.58 133.58 6.54 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 115.892 -0.595 . . . . 62.35 111.431 -173.351 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -73.63 116.52 52.47 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 115.784 -0.644 . . . . 75.13 109.454 172.269 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 33' ' ' PRO . . . . . 0.642 ' HB2' ' HG2' ' B' ' 35' ' ' GLU . 25.3 Cg_endo -61.46 153.95 62.64 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.251 1.967 . . . . 71.3 112.042 -177.695 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 4.8 mmt180 -70.56 -11.16 60.75 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.075 -0.511 . . . . 71.43 110.616 -179.653 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . 0.642 ' HG2' ' HB2' ' B' ' 33' ' ' PRO . 6.2 mm-40 -48.83 -46.01 41.43 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 121.541 0.686 . . . . 72.42 110.647 177.513 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 27.0 mt -103.94 17.61 23.75 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.213 -0.903 . . . . 63.52 110.728 -175.089 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 80.87 37.99 17.47 Favored Glycine 0 N--CA 1.452 -0.3 0 CA-C-N 115.964 -0.562 . . . . 51.22 112.157 -178.277 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -88.07 -133.54 4.3 Favored Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 120.973 -0.632 . . . . 64.12 112.28 178.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -103.56 -29.13 11.32 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.976 0.417 . . . . 71.25 110.924 -175.615 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 81.86 83.99 0.79 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.905 -0.664 . . . . 53.13 112.075 -179.088 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -164.11 147.25 9.48 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.934 -0.395 . . . . 45.11 109.934 -179.453 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -88.94 76.56 7.86 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.81 0.814 . . . . 74.14 110.671 -178.152 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -112.54 -124.87 4.37 Favored Glycine 0 N--CA 1.452 -0.277 0 CA-C-N 114.93 -1.032 . . . . 72.12 111.288 175.598 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 44' ' ' THR . . . . . 0.62 ' H ' ' HA ' ' B' ' 30' ' ' LEU . 77.3 m -127.78 144.91 51.06 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.94 -0.393 . . . . 35.03 109.94 175.433 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 45' ' ' ASN . . . . . 0.444 ' HB2' ' HB3' ' B' ' 48' ' ' GLN . 14.3 m120 -79.88 143.0 57.07 Favored Pre-proline 0 CA--C 1.534 0.351 0 CA-C-N 116.214 -0.448 . . . . 71.14 110.238 178.78 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 46' ' ' PRO . . . . . 0.565 ' HB3' ' SG ' ' A' ' 57' ' ' CYS . 38.0 Cg_exo -61.32 -64.15 0.09 OUTLIER 'Trans proline' 0 C--N 1.35 0.633 0 C-N-CA 123.18 2.587 . . . . 54.41 113.116 -176.526 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 47' ' ' GLU . . . . . 0.477 ' HG2' HG21 ' B' ' 83' ' ' VAL . 0.0 OUTLIER -63.11 -30.25 71.44 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.009 -0.541 . . . . 73.03 110.311 -175.904 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . 0.444 ' HB3' ' HB2' ' B' ' 45' ' ' ASN . 7.7 tt0 -65.01 -42.95 93.97 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.581 -0.736 . . . . 65.22 110.395 175.058 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 49' ' ' LEU . . . . . 0.458 HD12 ' HA3' ' A' ' 53' ' ' GLY . 3.3 tm? -61.09 -47.77 84.76 Favored 'General case' 0 C--O 1.235 0.333 0 N-CA-C 109.074 -0.713 . . . . 73.15 109.074 179.366 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 46.0 t80 -58.78 -46.09 88.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.695 -0.684 . . . . 74.53 110.785 175.568 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . 0.416 ' HB2' ' CG1' ' B' ' 83' ' ' VAL . . . -52.45 -53.02 50.94 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.064 -0.516 . . . . 63.22 111.302 178.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.22 -46.87 88.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.054 -0.521 . . . . 74.31 110.896 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . 0.483 ' HA3' HD12 ' A' ' 49' ' ' LEU . . . -62.34 -42.06 99.73 Favored Glycine 0 N--CA 1.451 -0.309 0 CA-C-N 115.803 -0.635 . . . . 73.22 112.495 -179.322 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 8.7 t80 -75.49 -34.85 60.88 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 122.11 0.164 . . . . 73.14 110.923 -176.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 19.9 p -67.07 -44.66 79.51 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 109.881 -0.415 . . . . 71.55 109.881 178.093 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 56' ' ' ALA . . . . . 0.534 ' HB1' HD21 ' A' ' 30' ' ' LEU . . . -65.01 -43.38 92.7 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.913 -0.585 . . . . 72.32 110.361 175.72 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 57' ' ' CYS . . . . . 0.442 ' SG ' ' HE2' ' B' ' 124' ' ' TYR . 42.1 t -61.83 -36.22 80.53 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.686 -0.688 . . . . 72.4 110.627 178.363 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 11.9 t80 -60.64 -35.37 76.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.91 -0.586 . . . . 52.32 109.697 -179.043 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 96.8 mt -67.25 -41.25 85.91 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.637 -0.71 . . . . 64.41 110.121 175.861 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 21.2 m -64.76 -40.41 95.24 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 116.055 -0.521 . . . . 73.23 110.87 178.728 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.68 -50.71 56.31 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.009 0.433 . . . . 44.1 110.174 178.71 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 62' ' ' MET . . . . . 0.622 ' HG3' HD11 ' B' ' 73' ' ' LEU . 3.2 tpt -58.04 -30.78 66.42 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 115.714 -0.675 . . . . 71.0 109.876 176.647 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 38.9 ttmt -70.39 -48.13 57.62 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.646 -0.706 . . . . 72.03 110.482 177.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 66.7 t80 -59.75 -36.81 77.4 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 121.118 0.485 . . . . 73.11 109.779 178.584 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 52.9 t -63.45 -49.27 83.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.643 -0.708 . . . . 75.05 109.952 173.183 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 66' ' ' ALA . . . . . 0.461 ' HA ' ' HG3' ' B' ' 71' ' ' GLN . . . -56.26 -32.55 64.63 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.116 -0.493 . . . . 74.13 111.07 -179.785 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -70.12 -30.49 69.71 Favored Glycine 0 N--CA 1.453 -0.194 0 CA-C-N 115.699 -0.682 . . . . 75.04 112.003 -177.128 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 68' ' ' GLN . . . . . 0.401 ' HG3' HD22 ' B' ' 69' ' ' ASN . 11.2 pt20 -99.15 -15.13 19.06 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.221 0.534 . . . . 64.5 109.957 -179.077 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 69' ' ' ASN . . . . . 0.401 HD22 ' HG3' ' B' ' 68' ' ' GLN . 1.0 OUTLIER -92.9 -2.54 55.75 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.482 -0.781 . . . . 65.21 110.51 177.289 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 60.61 22.73 12.52 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 115.683 -0.69 . . . . 73.12 111.489 176.482 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . 0.461 ' HG3' ' HA ' ' B' ' 66' ' ' ALA . 2.0 pt20 -104.75 165.04 11.34 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.223 -0.899 . . . . 74.24 109.199 175.81 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 29.1 p -126.23 138.16 53.6 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.425 -0.352 . . . . 74.12 110.16 -177.601 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . 0.622 HD11 ' HG3' ' B' ' 62' ' ' MET . 95.8 mt -106.97 137.88 19.65 Favored Pre-proline 0 C--N 1.324 -0.506 0 CA-C-N 116.146 -0.479 . . . . 75.15 110.294 -179.067 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 74' ' ' PRO . . . . . 0.466 ' O ' HG22 ' B' ' 77' ' ' THR . 37.9 Cg_endo -66.4 139.25 53.57 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 123.012 2.474 . . . . 62.01 112.039 177.574 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -76.76 -7.76 56.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.325 0.583 . . . . 71.53 110.577 178.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -87.82 2.79 50.47 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 115.769 -0.651 . . . . 60.22 111.093 -179.365 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 77' ' ' THR . . . . . 0.466 HG22 ' O ' ' B' ' 74' ' ' PRO . 13.0 t -77.76 157.35 30.06 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.141 -0.481 . . . . 73.25 111.236 -177.223 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 8.4 m -148.49 149.08 31.03 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.167 -0.469 . . . . 71.23 110.428 -179.714 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 74.0 t -129.77 119.52 47.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 N-CA-C 109.115 -0.698 . . . . 54.24 109.115 173.066 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 80' ' ' THR . . . . . 0.401 ' HA ' ' HA ' ' A' ' 10' ' ' THR . 24.5 m -105.7 110.59 22.96 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.06 0.457 . . . . 72.42 110.566 -177.238 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -96.61 107.73 20.22 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.823 -0.626 . . . . 73.43 109.643 178.307 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 82' ' ' GLU . . . . . 0.423 ' HA ' ' HA ' ' A' ' 8' ' ' ALA . 35.8 tt0 -103.91 116.78 32.89 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.033 -0.728 . . . . 71.23 109.033 179.264 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . 0.477 HG21 ' HG2' ' B' ' 47' ' ' GLU . 14.2 m -105.51 146.83 11.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.959 -0.564 . . . . 71.44 111.17 -174.546 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 84' ' ' GLY . . . . . 0.445 ' HA2' ' HA ' ' A' ' 6' ' ' LYS . . . -141.94 158.64 26.79 Favored Glycine 0 N--CA 1.44 -1.073 0 CA-C-N 115.525 -0.761 . . . . 52.45 111.308 178.344 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -140.65 133.26 31.8 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 N-CA-C 109.238 -0.652 . . . . 73.1 109.238 -178.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 86' ' ' GLY . . . . . 0.403 ' HA2' ' HG ' ' A' ' 4' ' ' LEU . . . -149.63 169.65 29.83 Favored Glycine 0 CA--C 1.517 0.212 0 O-C-N 123.875 0.734 . . . . 52.3 111.448 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 87' ' ' PRO . . . . . 0.739 ' HD3' ' HG ' ' A' ' 4' ' ' LEU . 9.3 Cg_exo -71.13 127.29 13.33 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.743 2.295 . . . . 61.3 111.714 -178.589 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 88' ' ' ASN . . . . . 0.511 ' HB2' ' HB2' ' B' ' 94' ' ' ALA . 24.6 t-20 -73.56 160.08 32.18 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.605 -0.517 . . . . 72.3 109.605 179.26 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -65.09 -16.83 63.9 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-O 120.85 0.357 . . . . 65.22 110.997 -179.376 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -74.05 -21.32 59.99 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-O 121.202 0.525 . . . . 74.05 110.619 174.129 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.24 3.07 44.8 Favored Glycine 0 CA--C 1.519 0.322 0 CA-C-N 115.953 -0.567 . . . . 72.2 112.521 -177.467 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . -98.53 -152.21 27.64 Favored Glycine 0 C--N 1.329 0.194 0 N-CA-C 111.004 -0.838 . . . . 70.13 111.004 176.593 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 93' ' ' PHE . . . . . . . . . . . . . 9.7 m-85 -102.37 155.39 18.27 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 117.299 0.55 . . . . 73.12 110.727 174.793 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 94' ' ' ALA . . . . . 0.511 ' HB2' ' HB2' ' B' ' 88' ' ' ASN . . . -144.59 139.43 28.12 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.396 -0.82 . . . . 62.21 109.312 178.362 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -100.8 149.34 23.94 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.159 0.504 . . . . 74.21 110.858 -178.078 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 96' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -137.72 110.53 7.64 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 114.92 -1.036 . . . . 73.53 108.514 178.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 97' ' ' VAL . . . . . 0.495 ' O ' ' HA ' ' B' ' 134' ' ' VAL . 2.4 p -122.92 117.44 51.8 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.082 0 CA-C-O 121.15 0.5 . . . . 65.34 111.253 -176.032 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -106.14 118.59 37.03 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.817 -0.629 . . . . 74.42 110.298 179.826 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 82.8 mt -95.89 111.81 23.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.576 -0.738 . . . . 61.12 109.572 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 100' ' ' ARG . . . . . 0.586 ' HA ' ' O ' ' B' ' 137' ' ' VAL . 86.7 mtt180 -99.04 113.35 25.5 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 110.056 -0.349 . . . . 64.11 110.056 -177.14 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 101' ' ' VAL . . . . . . . . . . . . . 82.5 t -98.21 111.64 28.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.889 -0.596 . . . . 60.12 110.559 -176.624 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -114.14 101.56 9.32 Favored 'General case' 0 C--O 1.236 0.358 0 O-C-N 123.353 0.408 . . . . 53.32 110.028 177.365 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 103' ' ' LEU . . . . . 0.708 HD23 HD22 ' B' ' 106' ' ' LEU . 31.8 tp -113.85 120.4 39.14 Favored Pre-proline 0 C--N 1.324 -0.523 0 N-CA-C 108.687 -0.856 . . . . 72.24 108.687 178.754 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 104' ' ' PRO . . . . . 0.481 ' HD2' HD12 ' B' ' 103' ' ' LEU . 39.2 Cg_endo -69.91 144.27 52.74 Favored 'Trans proline' 0 N--CA 1.459 -0.52 0 C-N-CA 122.083 1.855 . . . . 74.24 111.978 -175.878 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 105' ' ' GLY . . . . . . . . . . . . . . . 72.0 15.17 76.26 Favored Glycine 0 CA--C 1.521 0.439 0 CA-C-N 115.38 -0.827 . . . . 72.34 112.622 -176.815 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 106' ' ' LEU . . . . . 0.708 HD22 HD23 ' B' ' 103' ' ' LEU . 36.2 tp -118.47 139.5 51.32 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 120.913 0.387 . . . . 60.53 111.121 -179.128 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -86.13 148.36 25.72 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.605 -0.725 . . . . 63.12 110.318 174.027 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 108' ' ' ALA . . . . . 0.5 ' O ' ' HG2' ' B' ' 112' ' ' LYS . . . -61.46 -38.88 88.84 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.851 0.357 . . . . 34.32 110.695 178.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -55.59 -42.37 74.71 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 115.946 -0.57 . . . . 64.51 111.379 -179.549 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 110' ' ' ALA . . . . . 0.489 ' O ' HG22 ' B' ' 113' ' ' THR . . . -77.8 -38.08 47.3 Favored 'General case' 0 C--O 1.239 0.539 0 CA-C-O 121.402 0.62 . . . . 72.03 110.173 177.342 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 111' ' ' ALA . . . . . 0.479 ' O ' HG23 ' B' ' 115' ' ' VAL . . . -56.14 -34.91 66.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.395 -0.821 . . . . 64.14 110.809 179.248 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 112' ' ' LYS . . . . . 0.5 ' HG2' ' O ' ' B' ' 108' ' ' ALA . 29.7 mmmt -53.74 -49.37 68.3 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-N 116.29 -0.414 . . . . 74.45 110.691 177.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 113' ' ' THR . . . . . 0.489 HG22 ' O ' ' B' ' 110' ' ' ALA . 1.3 t -74.73 -36.2 62.67 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.399 -0.364 . . . . 72.03 110.364 -177.352 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 114' ' ' LEU . . . . . 0.451 ' HG ' ' O ' ' B' ' 110' ' ' ALA . 51.9 mt -63.16 -46.09 88.78 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-O 120.876 0.369 . . . . 70.23 110.645 -178.857 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 115' ' ' VAL . . . . . 0.532 HG21 HG12 ' B' ' 138' ' ' VAL . 58.3 t -68.69 -36.7 75.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.992 -0.549 . . . . 63.55 110.251 178.595 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -58.87 -51.93 67.93 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-N 116.11 -0.496 . . . . 75.43 110.648 179.535 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 117' ' ' ARG . . . . . 0.471 ' HG2' ' O ' ' B' ' 113' ' ' THR . 5.9 ptm180 -69.98 -46.79 64.43 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-N 115.892 -0.595 . . . . 70.2 110.805 -177.371 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -60.71 -45.33 94.66 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 121.18 0.514 . . . . 61.11 110.983 -176.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 119' ' ' HIS . . . . . 0.545 ' CD2' ' HB3' ' B' ' 129' ' ' ARG . 46.3 t60 -75.0 -1.16 21.4 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 115.753 -0.658 . . . . 74.31 110.683 -177.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 120' ' ' HIS . . . . . 0.525 ' HB2' ' NH1' ' B' ' 129' ' ' ARG . 42.3 t-80 -108.58 -40.94 4.95 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 116.152 -0.476 . . . . 61.52 111.16 178.837 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 121' ' ' VAL . . . . . 0.427 HG22 ' O ' ' B' ' 117' ' ' ARG . 24.4 m -92.45 -26.58 4.84 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.428 0 N-CA-C 112.373 0.508 . . . . 63.42 112.373 -172.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 122' ' ' CYS . . . . . 0.542 ' N ' ' HD3' ' B' ' 123' ' ' PRO . 66.6 m -139.45 58.01 11.33 Favored Pre-proline 0 CA--C 1.534 0.342 0 CA-C-O 120.8 0.333 . . . . 74.53 111.815 -178.66 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 123' ' ' PRO . . . . . 0.542 ' HD3' ' N ' ' B' ' 122' ' ' CYS . 53.7 Cg_endo -101.0 -170.3 0.09 OUTLIER 'Trans proline' 0 N--CA 1.452 -0.952 0 C-N-CA 123.274 2.649 . . . . 65.25 111.668 174.072 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 124' ' ' TYR . . . . . 0.442 ' HE2' ' SG ' ' B' ' 57' ' ' CYS . 4.3 m-30 -83.13 -14.67 53.1 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.795 -0.446 . . . . 65.35 109.795 172.513 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 125' ' ' SER . . . . . 0.48 ' O ' HG22 ' B' ' 128' ' ' THR . 31.3 t 176.41 156.49 0.25 Allowed 'General case' 0 C--N 1.334 -0.066 0 CA-C-N 115.405 -0.816 . . . . 64.23 109.592 178.403 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 126' ' ' ASN . . . . . . . . . . . . . 8.2 p30 -59.91 -31.48 69.86 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.644 0.735 . . . . 74.24 109.137 170.701 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 127' ' ' ALA . . . . . 0.431 ' O ' HG23 ' B' ' 132' ' ' VAL . . . -69.42 6.28 1.1 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 114.91 -1.041 . . . . 65.3 112.441 -178.741 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 128' ' ' THR . . . . . 0.518 HG23 ' NE2' ' B' ' 119' ' ' HIS . 4.5 t -96.12 4.15 52.74 Favored 'General case' 0 CA--C 1.516 -0.356 0 N-CA-C 108.418 -0.956 . . . . 55.14 108.418 -173.177 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 129' ' ' ARG . . . . . 0.545 ' HB3' ' CD2' ' B' ' 119' ' ' HIS . 15.7 ptm180 -135.45 -52.46 0.76 Allowed 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 114.829 -1.078 . . . . 75.21 111.005 178.291 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 130' ' ' ASN . . . . . . . . . . . . . 83.9 m-20 -78.91 -28.1 43.89 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.788 -0.642 . . . . 74.14 112.217 -175.28 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 131' ' ' ASN . . . . . 0.412 ' HB3' ' O ' ' B' ' 127' ' ' ALA . 23.5 t-20 -98.62 -42.31 7.32 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.999 0.428 . . . . 75.43 111.025 -175.609 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 132' ' ' VAL . . . . . 0.431 HG23 ' O ' ' B' ' 127' ' ' ALA . 67.5 t -100.31 139.37 21.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.862 -0.608 . . . . 52.13 110.487 -173.796 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 133' ' ' ALA . . . . . . . . . . . . . . . -69.26 83.33 0.36 Allowed 'General case' 0 C--O 1.241 0.62 0 CA-C-O 121.89 0.852 . . . . 72.23 111.023 -178.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 134' ' ' VAL . . . . . 0.495 ' HA ' ' O ' ' B' ' 97' ' ' VAL . 22.1 t -114.26 122.87 69.25 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.801 0 CA-C-N 114.29 -1.323 . . . . 61.1 110.07 177.459 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 135' ' ' ARG . . . . . 0.408 HH11 ' HD2' ' B' ' 135' ' ' ARG . 2.5 tpm_? -94.03 105.47 17.48 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.652 -0.499 . . . . 74.32 109.652 176.449 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 80.7 mt -77.29 101.96 6.51 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-O 121.339 0.59 . . . . 72.41 109.657 175.767 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 137' ' ' VAL . . . . . 0.586 ' O ' ' HA ' ' B' ' 100' ' ' ARG . 0.2 OUTLIER -112.99 114.59 47.41 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 CA-C-N 114.707 -1.133 . . . . 72.22 110.062 -176.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 138' ' ' VAL . . . . . 0.532 HG12 HG21 ' B' ' 115' ' ' VAL . 3.5 m -96.81 138.61 21.44 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-N 115.172 -0.922 . . . . 70.52 109.302 -179.035 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 139' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.219 0 CA-C-O 118.548 -0.739 . . . . 71.35 110.87 -175.174 . . . . . . . . 0 0 . 1 stop_ save_